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DAMASK_EICMD/code/crystallite.f90

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added version information to all files do NOT edit text like this: $Id: constitutive_phenopowerlaw.f90 406 2009-08-31 14:13:10Z MPIE\f.roters $
2009-08-31 20:39:15 +05:30
!* $Id$
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!***************************************
!* Module: CRYSTALLITE *
!***************************************
!* contains: *
!* - _init *
!* - materialpoint_stressAndItsTangent *
!* - _partitionDeformation *
!* - _updateState *
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!* - _stressAndItsTangent *
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!* - _postResults *
!***************************************
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
MODULE crystallite
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
use prec, only: pReal, pInt
implicit none
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!
! ****************************************************************
! *** General variables for the crystallite calculation ***
! ****************************************************************
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
integer(pInt) crystallite_maxSizePostResults
integer(pInt), dimension(:), allocatable :: crystallite_sizePostResults
integer(pInt), dimension(:,:), allocatable :: crystallite_sizePostResult
character(len=64), dimension(:,:), allocatable :: crystallite_output ! name of each post result output
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
integer(pInt), dimension (:,:,:), allocatable :: &
crystallite_symmetryID ! crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
small readability improvement
2010-02-18 20:36:08 +05:30
real(pReal), dimension (:,:,:), allocatable :: &
crystallite_dt, & ! requested time increment of each grain
crystallite_subdt, & ! substepped time increment of each grain
crystallite_subFrac, & ! already calculated fraction of increment
crystallite_subStep, & ! size of next integration step
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_statedamper, & ! damping for state update
small readability improvement
2010-02-18 20:36:08 +05:30
crystallite_Temperature, & ! Temp of each grain
crystallite_partionedTemperature0, & ! Temp of each grain at start of homog inc
statedamper has to be local (specific for each e,i,g); with a global damping we may produce spurious convergence
2010-04-29 13:11:29 +05:30
crystallite_subTemperature0, & ! Temp of each grain at start of crystallite inc
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature ! evolution of Temperature of each grain
small readability improvement
2010-02-18 20:36:08 +05:30
real(pReal), dimension (:,:,:,:), allocatable :: &
crystallite_Tstar_v, & ! current 2nd Piola-Kirchhoff stress vector (end of converged time step)
crystallite_Tstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of FE inc
crystallite_partionedTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of homog inc
crystallite_subTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of crystallite inc
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
crystallite_orientation, & ! orientation as quaternion
crystallite_orientation0, & ! initial orientation as quaternion
crystallite_rotation ! grain rotation away from initial orientation as axis-angle (in degrees)
small readability improvement
2010-02-18 20:36:08 +05:30
real(pReal), dimension (:,:,:,:,:), allocatable :: &
crystallite_Fe, & ! current "elastic" def grad (end of converged time step)
crystallite_Fp, & ! current plastic def grad (end of converged time step)
crystallite_invFp, & ! inverse of current plastic def grad (end of converged time step)
crystallite_Fp0, & ! plastic def grad at start of FE inc
crystallite_partionedFp0,& ! plastic def grad at start of homog inc
crystallite_subFp0,& ! plastic def grad at start of crystallite inc
crystallite_F0, & ! def grad at start of FE inc
crystallite_partionedF, & ! def grad to be reached at end of homog inc
crystallite_partionedF0, & ! def grad at start of homog inc
crystallite_subF, & ! def grad to be reached at end of crystallite inc
crystallite_subF0, & ! def grad at start of crystallite inc
crystallite_Lp, & ! current plastic velocitiy grad (end of converged time step)
crystallite_Lp0, & ! plastic velocitiy grad at start of FE inc
crystallite_partionedLp0,& ! plastic velocity grad at start of homog inc
crystallite_subLp0,& ! plastic velocity grad at start of crystallite inc
crystallite_P, & ! 1st Piola-Kirchhoff stress per grain
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
crystallite_disorientation ! disorientation between two neighboring ips (only calculated for single grain IPs)
small readability improvement
2010-02-18 20:36:08 +05:30
real(pReal), dimension (:,:,:,:,:,:,:), allocatable :: &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dPdF, & ! current individual dPdF per grain (end of converged time step)
crystallite_dPdF0, & ! individual dPdF per grain at start of FE inc
crystallite_partioneddPdF0, & ! individual dPdF per grain at start of homog inc
small readability improvement
2010-02-18 20:36:08 +05:30
crystallite_fallbackdPdF ! dPdF fallback for non-converged grains (elastic prediction)
logical, dimension (:,:,:), allocatable :: &
crystallite_localConstitution, & ! indicates this grain to have purely local constitutive law
crystallite_requested, & ! flag to request crystallite calculation
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo, & ! flag to indicate need for further computation
small readability improvement
2010-02-18 20:36:08 +05:30
crystallite_converged, & ! convergence flag
crystallite_stateConverged, & ! flag indicating convergence of state
only need 2 logicals in crystallite_stressAndItsTangent to reflect all possible integration states, so crystallite_onTrack was obsolete and replaced by crystallite_todo; broken state update now directly produces a cutback
2010-02-23 15:16:39 +05:30
crystallite_temperatureConverged ! flag indicating convergence of temperature
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
CONTAINS
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!********************************************************************
! allocate and initialize per grain variables
!********************************************************************
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
subroutine crystallite_init(Temperature)
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use debug, only: debug_info, &
debug_reset
use numerics, only: integrator, &
integratorStiffness, &
subStepSizeCryst, &
stepIncreaseCryst
use math, only: math_I3, &
math_EulerToR, &
math_inv3x3, &
math_transpose3x3, &
math_mul33xx33, &
math_mul33x33
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips, &
mesh_maxNipNeighbors
use IO
use material
use lattice, only: lattice_symmetryType, &
lattice_Sslip,lattice_Sslip_v,lattice_Stwin,lattice_Stwin_v, lattice_maxNslipFamily, lattice_maxNtwinFamily, &
lattice_NslipSystem,lattice_NtwinSystem
use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
constitutive_phenopowerlaw_structure, &
constitutive_phenopowerlaw_Nslip
use constitutive_titanmod, only: constitutive_titanmod_label, &
constitutive_titanmod_structure
use constitutive_dislotwin, only: constitutive_dislotwin_label, &
constitutive_dislotwin_structure
use constitutive_nonlocal, only: constitutive_nonlocal_label, &
constitutive_nonlocal_structure
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
implicit none
integer(pInt), parameter :: file = 200, &
maxNchunks = 2
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!*** input variables ***!
real(pReal) Temperature
1) terminallyIll was reset before FE did cutback --> useless extra calculations of same problem over and over... 2) local stiffness calculation is now standard for non-local grains 3) stressLoopDistribution discriminates between (a) central solution and (b) stiffness perturbation 4) debugger is switched on as standard... (but verboseDebugger not!)
2010-09-06 21:36:41 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!*** output variables ***!
!*** local variables ***!
integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) g, & ! grain number
i, & ! integration point number
e, & ! element number
gMax, & ! maximum number of grains
iMax, & ! maximum number of integration points
eMax, & ! maximum number of elements
nMax, & ! maximum number of ip neighbors
myNgrains, & ! number of grains in current IP
myCrystallite, & ! crystallite of current elem
section, &
f, &
j, &
k, &
p, &
output, &
mySize, &
myStructure, & ! lattice structure
myPhase, &
myMat, &
index_myFamily
character(len=64) tag
character(len=1024) line
write(6,*)
write(6,*) '<<<+- crystallite init -+>>>'
write(6,*) '$Id$'
write(6,*)
gMax = homogenization_maxNgrains
iMax = mesh_maxNips
eMax = mesh_NcpElems
nMax = mesh_maxNipNeighbors
allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature
allocate(crystallite_partionedTemperature0(gMax,iMax,eMax)); crystallite_partionedTemperature0 = 0.0_pReal
allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal
allocate(crystallite_dotTemperature(gMax,iMax,eMax)); crystallite_dotTemperature = 0.0_pReal
allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax)); crystallite_Tstar0_v = 0.0_pReal
allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal
allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
allocate(crystallite_Tstar_v(6,gMax,iMax,eMax)); crystallite_Tstar_v = 0.0_pReal
allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal
allocate(crystallite_F0(3,3,gMax,iMax,eMax)); crystallite_F0 = 0.0_pReal
allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax)); crystallite_partionedF0 = 0.0_pReal
allocate(crystallite_partionedF(3,3,gMax,iMax,eMax)); crystallite_partionedF = 0.0_pReal
allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal
allocate(crystallite_Fp0(3,3,gMax,iMax,eMax)); crystallite_Fp0 = 0.0_pReal
allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax)); crystallite_partionedFp0 = 0.0_pReal
allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
allocate(crystallite_Fp(3,3,gMax,iMax,eMax)); crystallite_Fp = 0.0_pReal
allocate(crystallite_invFp(3,3,gMax,iMax,eMax)); crystallite_invFp = 0.0_pReal
allocate(crystallite_Fe(3,3,gMax,iMax,eMax)); crystallite_Fe = 0.0_pReal
allocate(crystallite_Lp0(3,3,gMax,iMax,eMax)); crystallite_Lp0 = 0.0_pReal
allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal
allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
allocate(crystallite_Lp(3,3,gMax,iMax,eMax)); crystallite_Lp = 0.0_pReal
allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
allocate(crystallite_dPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF0 = 0.0_pReal
allocate(crystallite_partioneddPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_partioneddPdF0 = 0.0_pReal
allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal
allocate(crystallite_dt(gMax,iMax,eMax)); crystallite_dt = 0.0_pReal
allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal
allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal
allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal
allocate(crystallite_statedamper(gMax,iMax,eMax)); crystallite_statedamper = 1.0_pReal
allocate(crystallite_symmetryID(gMax,iMax,eMax)); crystallite_symmetryID = 0.0_pReal !NEW
allocate(crystallite_orientation(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal
allocate(crystallite_orientation0(4,gMax,iMax,eMax)); crystallite_orientation0 = 0.0_pReal
allocate(crystallite_rotation(4,gMax,iMax,eMax)); crystallite_rotation = 0.0_pReal
allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax)); crystallite_disorientation = 0.0_pReal
allocate(crystallite_localConstitution(gMax,iMax,eMax)); crystallite_localConstitution = .true.
allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false.
allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .false.
allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true.
allocate(crystallite_stateConverged(gMax,iMax,eMax)); crystallite_stateConverged = .false.
allocate(crystallite_temperatureConverged(gMax,iMax,eMax)); crystallite_temperatureConverged = .false.
allocate(crystallite_output(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_output = ''
allocate(crystallite_sizePostResults(material_Ncrystallite)) ; crystallite_sizePostResults = 0_pInt
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_sizePostResult = 0_pInt
if(.not. IO_open_file(file,material_configFile)) call IO_error (100) ! corrupt config file
line = ''
section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite) ! wind forward to <crystallite>
read(file,'(a1024)',END=100) line
enddo
do ! read thru sections of phase part
read(file,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1
output = 0 ! reset output counter
endif
if (section > 0) then
positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag)
case ('(output)')
output = output + 1
crystallite_output(output,section) = IO_lc(IO_stringValue(line,positions,2))
end select
endif
enddo
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
100 close(file)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
do i = 1,material_Ncrystallite ! sanity checks
enddo
do i = 1,material_Ncrystallite
do j = 1,crystallite_Noutput(i)
select case(crystallite_output(j,i))
case('phase')
mySize = 1
case('volume')
mySize = 1
case('orientation') ! orientation as quaternion
mySize = 4
case('eulerangles') ! Bunge Euler angles
mySize = 3
case('grainrotation') ! Deviation from initial grain orientation in axis-angle form (angle in degrees)
mySize = 4
case('defgrad','f','fe','fp','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola')
mySize = 9
case default
mySize = 0
end select
if (mySize > 0_pInt) then ! any meaningful output found
crystallite_sizePostResult(j,i) = mySize
crystallite_sizePostResults(i) = crystallite_sizePostResults(i) + mySize
endif
enddo
enddo
crystallite_maxSizePostResults = maxval(crystallite_sizePostResults)
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
! write description file for crystallite output
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if(.not. IO_open_jobFile(file,'outputCrystallite')) call IO_error (50) ! problems in writing file
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
do p = 1,material_Ncrystallite
write(file,*)
write(file,'(a)') '['//trim(crystallite_name(p))//']'
write(file,*)
do e = 1,crystallite_Noutput(p)
write(file,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,p)
enddo
enddo
close(file)
!$OMP PARALLEL PRIVATE(myNgrains,myPhase,myStructure)
!$OMP DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements
myNgrains = homogenization_Ngrains(mesh_element(3,e)) ! look up homogenization-->grainCount
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element
do g = 1,myNgrains
crystallite_partionedTemperature0(g,i,e) = Temperature ! isothermal assumption
crystallite_Fp0(:,:,g,i,e) = math_EulerToR(material_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation
crystallite_Fe(:,:,g,i,e) = transpose(crystallite_Fp0(:,:,g,i,e))
crystallite_F0(:,:,g,i,e) = math_I3
crystallite_partionedFp0(:,:,g,i,e) = crystallite_Fp0(:,:,g,i,e)
crystallite_partionedF0(:,:,g,i,e) = crystallite_F0(:,:,g,i,e)
crystallite_partionedF(:,:,g,i,e) = crystallite_F0(:,:,g,i,e)
crystallite_requested(g,i,e) = .true.
crystallite_localConstitution(g,i,e) = phase_localConstitution(material_phase(g,i,e))
enddo
enddo
enddo
!$OMP ENDDO
homogenization_RGC.f90 >> just switching-off one of the debugging statement. crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 17:58:02 +05:30
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
! Initialize crystallite_symmetryID(g,i,e)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
myNgrains = homogenization_Ngrains(mesh_element(3,e))
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
do g = 1,myNgrains
myPhase = material_phase(g,i,e)
myMat = phase_constitutionInstance(myPhase)
select case (phase_constitution(myPhase))
case (constitutive_phenopowerlaw_label)
myStructure = constitutive_phenopowerlaw_structure(myMat)
case (constitutive_titanmod_label)
myStructure = constitutive_titanmod_structure(myMat)
case (constitutive_dislotwin_label)
myStructure = constitutive_dislotwin_structure(myMat)
case (constitutive_nonlocal_label)
myStructure = constitutive_nonlocal_structure(myMat)
case default
myStructure = -1_pInt ! does this happen for j2 material?
end select
if (myStructure > 0_pInt) then
crystallite_symmetryID(g,i,e) = lattice_symmetryType(myStructure) ! structure = 1(fcc) or 2(bcc) => 1; 3(hex)=>2
endif
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
enddo
enddo
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END PARALLEL
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
call crystallite_orientations()
crystallite_orientation0 = crystallite_orientation ! Store initial orientations for calculation of grain rotations
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
call crystallite_stressAndItsTangent(.true.) ! request elastic answers
crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
! *** Output to MARC output file ***
write(6,'(a35,x,7(i5,x))') 'crystallite_Temperature: ', shape(crystallite_Temperature)
write(6,'(a35,x,7(i5,x))') 'crystallite_dotTemperature: ', shape(crystallite_dotTemperature)
write(6,'(a35,x,7(i5,x))') 'crystallite_Fe: ', shape(crystallite_Fe)
write(6,'(a35,x,7(i5,x))') 'crystallite_Fp: ', shape(crystallite_Fp)
write(6,'(a35,x,7(i5,x))') 'crystallite_Lp: ', shape(crystallite_Lp)
write(6,'(a35,x,7(i5,x))') 'crystallite_F0: ', shape(crystallite_F0)
write(6,'(a35,x,7(i5,x))') 'crystallite_Fp0: ', shape(crystallite_Fp0)
write(6,'(a35,x,7(i5,x))') 'crystallite_Lp0: ', shape(crystallite_Lp0)
write(6,'(a35,x,7(i5,x))') 'crystallite_partionedF: ', shape(crystallite_partionedF)
write(6,'(a35,x,7(i5,x))') 'crystallite_partionedTemp0: ', shape(crystallite_partionedTemperature0)
write(6,'(a35,x,7(i5,x))') 'crystallite_partionedF0: ', shape(crystallite_partionedF0)
write(6,'(a35,x,7(i5,x))') 'crystallite_partionedFp0: ', shape(crystallite_partionedFp0)
write(6,'(a35,x,7(i5,x))') 'crystallite_partionedLp0: ', shape(crystallite_partionedLp0)
write(6,'(a35,x,7(i5,x))') 'crystallite_subF: ', shape(crystallite_subF)
write(6,'(a35,x,7(i5,x))') 'crystallite_subTemperature0: ', shape(crystallite_subTemperature0)
write(6,'(a35,x,7(i5,x))') 'crystallite_symmetryID: ', shape(crystallite_symmetryID)
write(6,'(a35,x,7(i5,x))') 'crystallite_subF0: ', shape(crystallite_subF0)
write(6,'(a35,x,7(i5,x))') 'crystallite_subFp0: ', shape(crystallite_subFp0)
write(6,'(a35,x,7(i5,x))') 'crystallite_subLp0: ', shape(crystallite_subLp0)
write(6,'(a35,x,7(i5,x))') 'crystallite_P: ', shape(crystallite_P)
write(6,'(a35,x,7(i5,x))') 'crystallite_Tstar_v: ', shape(crystallite_Tstar_v)
write(6,'(a35,x,7(i5,x))') 'crystallite_Tstar0_v: ', shape(crystallite_Tstar0_v)
write(6,'(a35,x,7(i5,x))') 'crystallite_partionedTstar0_v: ', shape(crystallite_partionedTstar0_v)
write(6,'(a35,x,7(i5,x))') 'crystallite_subTstar0_v: ', shape(crystallite_subTstar0_v)
write(6,'(a35,x,7(i5,x))') 'crystallite_dPdF: ', shape(crystallite_dPdF)
write(6,'(a35,x,7(i5,x))') 'crystallite_dPdF0: ', shape(crystallite_dPdF0)
write(6,'(a35,x,7(i5,x))') 'crystallite_partioneddPdF0: ', shape(crystallite_partioneddPdF0)
write(6,'(a35,x,7(i5,x))') 'crystallite_fallbackdPdF: ', shape(crystallite_fallbackdPdF)
write(6,'(a35,x,7(i5,x))') 'crystallite_orientation: ', shape(crystallite_orientation)
write(6,'(a35,x,7(i5,x))') 'crystallite_orientation0: ', shape(crystallite_orientation0)
write(6,'(a35,x,7(i5,x))') 'crystallite_rotation: ', shape(crystallite_rotation)
write(6,'(a35,x,7(i5,x))') 'crystallite_disorientation: ', shape(crystallite_disorientation)
write(6,'(a35,x,7(i5,x))') 'crystallite_dt: ', shape(crystallite_dt)
write(6,'(a35,x,7(i5,x))') 'crystallite_subdt: ', shape(crystallite_subdt)
write(6,'(a35,x,7(i5,x))') 'crystallite_subFrac: ', shape(crystallite_subFrac)
write(6,'(a35,x,7(i5,x))') 'crystallite_subStep: ', shape(crystallite_subStep)
write(6,'(a35,x,7(i5,x))') 'crystallite_stateDamper: ', shape(crystallite_stateDamper)
write(6,'(a35,x,7(i5,x))') 'crystallite_localConstitution: ', shape(crystallite_localConstitution)
write(6,'(a35,x,7(i5,x))') 'crystallite_requested: ', shape(crystallite_requested)
write(6,'(a35,x,7(i5,x))') 'crystallite_todo: ', shape(crystallite_todo)
write(6,'(a35,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged)
write(6,'(a35,x,7(i5,x))') 'crystallite_stateConverged: ', shape(crystallite_stateConverged)
write(6,'(a35,x,7(i5,x))') 'crystallite_temperatureConverged: ', shape(crystallite_temperatureConverged)
write(6,'(a35,x,7(i5,x))') 'crystallite_sizePostResults: ', shape(crystallite_sizePostResults)
write(6,'(a35,x,7(i5,x))') 'crystallite_sizePostResult: ', shape(crystallite_sizePostResult)
write(6,*)
write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localConstitution)
call flush(6)
call debug_info()
call debug_reset()
return
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
endsubroutine
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!********************************************************************
! calculate stress (P) and tangent (dPdF) for crystallites
!********************************************************************
subroutine crystallite_stressAndItsTangent(updateJaco)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use numerics, only: subStepMinCryst, &
subStepSizeCryst, &
stepIncreaseCryst, &
pert_Fg, &
pert_method, &
nCryst, &
iJacoStiffness, &
integratorStiffness, &
integrator
use debug, only: debugger, &
selectiveDebugger, &
verboseDebugger, &
debug_e, &
debug_i, &
debug_g, &
debug_CrystalliteLoopDistribution
use IO, only: IO_warning
use math, only: math_inv3x3, &
math_mul33x33, &
math_mul66x6, &
math_Mandel6to33, &
math_Mandel33to6, &
math_I3
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP, &
theInc, &
cycleCounter
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_maxSizeState, &
constitutive_maxSizeDotState, &
constitutive_sizeState, &
constitutive_sizeDotState, &
constitutive_state, &
constitutive_state_backup, &
constitutive_subState0, &
constitutive_partionedState0, &
constitutive_homogenizedC, &
constitutive_dotState, &
constitutive_dotState_backup, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
implicit none
!*** input variables ***!
logical, intent(in) :: updateJaco ! flag indicating wehther we want to update the Jacobian (stiffness) or not
!*** output variables ***!
!*** local variables ***!
real(pReal) myTemperature, & ! local copy of the temperature
myPert, & ! perturbation with correct sign
formerSubStep
real(pReal), dimension(3,3) :: invFp, & ! inverse of the plastic deformation gradient
Fe_guess, & ! guess for elastic deformation gradient
Tstar ! 2nd Piola-Kirchhoff stress tensor
real(pReal), dimension(9,9) :: dPdF99
real(pReal), dimension(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
dPdF_perturbation1, &
dPdF_perturbation2
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
F_backup, &
Fp_backup, &
InvFp_backup, &
Fe_backup, &
Lp_backup, &
P_backup
real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Tstar_v_backup
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Temperature_backup
integer(pInt) NiterationCrystallite, & ! number of iterations in crystallite loop
e, & ! element index
i, & ! integration point index
g, & ! grain index
k, &
l, &
perturbation , & ! loop counter for forward,backward perturbation mode
myNgrains, &
mySizeState, &
mySizeDotState
logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
convergenceFlag_backup
! --+>> INITIALIZE TO STARTING CONDITION <<+--
crystallite_subStep = 0.0_pReal
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
if (crystallite_requested(g,i,e)) then ! initialize restoration point of ...
crystallite_subTemperature0(g,i,e) = crystallite_partionedTemperature0(g,i,e) ! ...temperature
constitutive_subState0(g,i,e)%p = constitutive_partionedState0(g,i,e)%p ! ...microstructure
crystallite_subFp0(:,:,g,i,e) = crystallite_partionedFp0(:,:,g,i,e) ! ...plastic def grad
crystallite_subLp0(:,:,g,i,e) = crystallite_partionedLp0(:,:,g,i,e) ! ...plastic velocity grad
crystallite_dPdF0(:,:,:,:,g,i,e) = crystallite_partioneddPdF0(:,:,:,:,g,i,e) ! ...stiffness
crystallite_subF0(:,:,g,i,e) = crystallite_partionedF0(:,:,g,i,e) ! ...def grad
crystallite_subTstar0_v(:,g,i,e) = crystallite_partionedTstar0_v(:,g,i,e) !...2nd PK stress
crystallite_subFrac(g,i,e) = 0.0_pReal
crystallite_subStep(g,i,e) = 1.0_pReal/subStepSizeCryst
crystallite_todo(g,i,e) = .true.
crystallite_converged(g,i,e) = .false. ! pretend failed step of twice the required size
endif
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
enddo
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
enddo
!$OMP END PARALLEL DO
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --+>> CRYSTALLITE CUTBACK LOOP <<+--
homogenization_RGC.f90 >> just switching-off one of the debugging statement. crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 17:58:02 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
NiterationCrystallite = 0_pInt
do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinCryst)) ! cutback loop for crystallites
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
! --- wind forward ---
if (crystallite_converged(g,i,e)) then
if (debugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
!$OMP CRITICAL (write2out)
write(6,'(a21,f10.8,a32,f10.8,a35)') 'winding forward from ', &
crystallite_subFrac(g,i,e),' to current crystallite_subfrac ', &
crystallite_subFrac(g,i,e)+crystallite_subStep(g,i,e),' in crystallite_stressAndItsTangent'
write(6,*)
!$OMP END CRITICAL (write2out)
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
formerSubStep = crystallite_subStep(g,i,e)
crystallite_subStep(g,i,e) = min( 1.0_pReal - crystallite_subFrac(g,i,e), &
stepIncreaseCryst * crystallite_subStep(g,i,e) )
if (crystallite_subStep(g,i,e) > subStepMinCryst) then
crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward...
crystallite_subF0(:,:,g,i,e) = crystallite_subF(:,:,g,i,e) ! ...def grad
crystallite_subFp0(:,:,g,i,e) = crystallite_Fp(:,:,g,i,e) ! ...plastic def grad
crystallite_subLp0(:,:,g,i,e) = crystallite_Lp(:,:,g,i,e) ! ...plastic velocity gradient
constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure
crystallite_subTstar0_v(:,g,i,e) = crystallite_Tstar_v(:,g,i,e) ! ...2nd PK stress
elseif (formerSubStep > subStepMinCryst) then ! this crystallite just converged
!$OMP CRITICAL (distributionCrystallite)
debug_CrystalliteLoopDistribution(min(nCryst+1,NiterationCrystallite)) = &
debug_CrystalliteLoopDistribution(min(nCryst+1,NiterationCrystallite)) + 1
!$OMP END CRITICAL (distributionCrystallite)
endif
! --- cutback ---
else
crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore...
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature
crystallite_Fp(:,:,g,i,e) = crystallite_subFp0(:,:,g,i,e) ! ...plastic def grad
crystallite_invFp(:,:,g,i,e) = math_inv3x3(crystallite_Fp(:,:,g,i,e))
crystallite_Lp(:,:,g,i,e) = crystallite_subLp0(:,:,g,i,e) ! ...plastic velocity grad
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
crystallite_Tstar_v(:,g,i,e) = crystallite_subTstar0_v(:,g,i,e) ! ...2nd PK stress
! cant restore dotState here, since not yet calculated in first cutback after initialization
if (debugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
!$OMP CRITICAL (write2out)
write(6,'(a78,f10.8)') 'cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
crystallite_subStep(g,i,e)
write(6,*)
!$OMP END CRITICAL (write2out)
endif
endif
! --- prepare for integration ---
crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
if (crystallite_todo(g,i,e)) then
crystallite_subF(:,:,g,i,e) = crystallite_subF0(:,:,g,i,e) + &
crystallite_subStep(g,i,e) * &
(crystallite_partionedF(:,:,g,i,e) - crystallite_partionedF0(:,:,g,i,e))
crystallite_Fe(:,:,g,i,e) = math_mul33x33(crystallite_subF(:,:,g,i,e),crystallite_invFp(:,:,g,i,e))
crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
crystallite_converged(g,i,e) = .false. ! start out non-converged
endif
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
enddo
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
enddo
!$OMP END PARALLEL DO
homogenization_RGC.f90 >> just switching-off one of the debugging statement. crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 17:58:02 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- integrate ---
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (any(crystallite_todo)) then
select case(integrator)
case (1)
call crystallite_integrateStateFPI(1)
case (2)
call crystallite_integrateStateEuler(1)
case (3)
call crystallite_integrateStateAdaptiveEuler(1)
case (4)
call crystallite_integrateStateRK4(1)
case(5)
call crystallite_integrateStateRKCK45(1)
endselect
endif
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
NiterationCrystallite = NiterationCrystallite + 1
enddo ! cutback loop
! --+>> CHECK FOR NON-CONVERGED CRYSTALLITES <<+--
!$OMP PARALLEL DO PRIVATE(myNgrains,invFp,Fe_guess,Tstar)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
invFp = math_inv3x3(crystallite_partionedFp0(:,:,g,i,e))
Fe_guess = math_mul33x33(crystallite_partionedF(:,:,g,i,e),invFp)
Tstar = math_Mandel6to33( math_mul66x6( 0.5_pReal*constitutive_homogenizedC(g,i,e), &
math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) )
crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
endif
if (debugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
!$OMP CRITICAL (write2out)
write (6,*) '#############'
write (6,*) 'central solution of cryst_StressAndTangent'
write (6,*) '#############'
write (6,'(a8,3(x,i4),/,3(3(f12.4,x)/))') ' P of', g, i, e, crystallite_P(1:3,:,g,i,e)/1e6
write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Fp of', g, i, e, crystallite_Fp(1:3,:,g,i,e)
write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Lp of', g, i, e, crystallite_Lp(1:3,:,g,i,e)
!$OMP END CRITICAL (write2out)
endif
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
enddo
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
enddo
!$OMP END PARALLEL DO
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --+>> STIFFNESS CALCULATION <<+--
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if(updateJaco) then ! Jacobian required
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- BACKUP ---
!$OMP PARALLEL DO PRIVATE(myNgrains,mySizeState,mySizeDotState)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
myNgrains = homogenization_Ngrains(mesh_element(3,e))
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
do g = 1,myNgrains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeState = constitutive_sizeState(g,i,e) ! number of state variables for this grain
mySizeDotState = constitutive_sizeDotState(g,i,e) ! number of dotStates for this grain
leaner memory requirement to store states and their rates when calculating the crystallite stiffness
2010-09-13 14:43:25 +05:30
constitutive_state_backup(g,i,e)%p(1:mySizeState) = &
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
constitutive_state(g,i,e)%p(1:mySizeState) ! remember unperturbed, converged state, ...
leaner memory requirement to store states and their rates when calculating the crystallite stiffness
2010-09-13 14:43:25 +05:30
constitutive_dotState_backup(g,i,e)%p(1:mySizeDotState) = &
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
constitutive_dotState(g,i,e)%p(1:mySizeDotState) ! ... dotStates, ...
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END PARALLEL DO
Temperature_backup = crystallite_Temperature ! ... Temperature, ...
F_backup = crystallite_subF ! ... and kinematics
Fp_backup = crystallite_Fp
InvFp_backup = crystallite_invFp
Fe_backup = crystallite_Fe
Lp_backup = crystallite_Lp
Tstar_v_backup = crystallite_Tstar_v
P_backup = crystallite_P
convergenceFlag_backup = crystallite_converged
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- CALCULATE STATE AND STRESS FOR PERTURBATION ---
dPdF_perturbation1 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
dPdF_perturbation2 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
do perturbation = 1,2 ! forward and backward perturbation
if (iand(pert_method,perturbation) > 0) then ! mask for desired direction
myPert = -pert_Fg * (-1.0_pReal)**perturbation ! set perturbation step
do k = 1,3; do l = 1,3 ! ...alter individual components
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
!$OMP CRITICAL (write2out)
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
write (6,'(a,x,i1,x,i1,x,a)') '[[[[[[[ Stiffness perturbation',k,l,']]]]]]]'
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
endif
crystallite_subF(k,l,:,:,:) = crystallite_subF(k,l,:,:,:) + myPert ! perturb either forward or backward
crystallite_todo = crystallite_requested .and. crystallite_converged
where (crystallite_todo) crystallite_converged = .false. ! start out non-converged
select case(integratorStiffness)
case (1)
call crystallite_integrateStateFPI(2)
case (2)
call crystallite_integrateStateEuler(2)
case (3)
call crystallite_integrateStateAdaptiveEuler(2)
case (4)
call crystallite_integrateStateRK4(2)
case(5)
call crystallite_integrateStateRKCK45(2)
end select
!OMP PARALLEL DO PRIVATE(myNgrains)
- corrected an if statement in the state loop - nonlocal stiffness calculation: we perturb all material points at the same time, so instead of N^2 loops we just need N - set "forceLocalStiffnessCalculation" to false as standard
2010-03-04 22:57:39 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,myNgrains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged state warrants stiffness update
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
select case(perturbation)
case (1)
dPdF_perturbation1(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - P_backup(:,:,g,i,e)) / myPert ! tangent dP_ij/dFg_kl
case (2)
dPdF_perturbation2(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - P_backup(:,:,g,i,e)) / myPert ! tangent dP_ij/dFg_kl
end select
- corrected an if statement in the state loop - nonlocal stiffness calculation: we perturb all material points at the same time, so instead of N^2 loops we just need N - set "forceLocalStiffnessCalculation" to false as standard
2010-03-04 22:57:39 +05:30
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!OMP END PARALLEL DO
! --- RESTORE ---
!$OMP PARALLEL DO PRIVATE(myNgrains,mySizeState,mySizeDotState)
- corrected an if statement in the state loop - nonlocal stiffness calculation: we perturb all material points at the same time, so instead of N^2 loops we just need N - set "forceLocalStiffnessCalculation" to false as standard
2010-03-04 22:57:39 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,myNgrains
nonlocal stiffness calculation: rather perturb all components at once (and optionally decrease the frequency of the Jacobian update with the iJaco parameter) than perturbing only a single component per cycle
2010-06-17 12:02:56 +05:30
mySizeState = constitutive_sizeState(g,i,e)
mySizeDotState = constitutive_sizeDotState(g,i,e)
leaner memory requirement to store states and their rates when calculating the crystallite stiffness
2010-09-13 14:43:25 +05:30
constitutive_state(g,i,e)%p(1:mySizeState) = constitutive_state_backup(g,i,e)%p(1:mySizeState)
constitutive_dotState(g,i,e)%p(1:mySizeDotState) = constitutive_dotState_backup(g,i,e)%p(1:mySizeDotState)
- corrected an if statement in the state loop - nonlocal stiffness calculation: we perturb all material points at the same time, so instead of N^2 loops we just need N - set "forceLocalStiffnessCalculation" to false as standard
2010-03-04 22:57:39 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!OMP END PARALLEL DO
crystallite_Temperature = Temperature_backup
crystallite_subF = F_backup
crystallite_Fp = Fp_backup
crystallite_invFp = InvFp_backup
crystallite_Fe = Fe_backup
crystallite_Lp = Lp_backup
crystallite_Tstar_v = Tstar_v_backup
crystallite_P = P_backup
crystallite_converged = convergenceFlag_backup
enddo; enddo ! k,l loop
endif
enddo ! perturbation direction
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- STIFFNESS ACCORDING TO PERTURBATION METHOD AND CONVERGENCE ---
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,myNgrains
if (crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) then ! central solution converged
select case(pert_method)
case (1)
crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation1(:,:,:,:,g,i,e)
case (2)
crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation2(:,:,:,:,g,i,e)
case (3)
crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal* (dPdF_perturbation1(:,:,:,:,g,i,e) + dPdF_perturbation2(:,:,:,:,g,i,e))
end select
elseif (crystallite_requested(g,i,e) .and. .not. crystallite_converged(g,i,e)) then ! central solution did not converge
crystallite_dPdF(:,:,:,:,g,i,e) = crystallite_fallbackdPdF(:,:,:,:,g,i,e) ! use (elastic) fallback
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!OMP END PARALLEL DO
endif ! jacobian calculation
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
endsubroutine
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
!********************************************************************
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! integrate stress, state and Temperature with
! 4h order explicit Runge Kutta method
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
!********************************************************************
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
subroutine crystallite_integrateStateRK4(mode,gg,ii,ee)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use debug, only: debugger, &
selectiveDebugger, &
verboseDebugger, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_RK4dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
implicit none
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
real(pReal), dimension(4), parameter :: timeStepFraction = (/0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal/) ! weight of slope used for Runge Kutta integration
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
real(pReal), dimension(4), parameter :: weight = (/1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal/) ! factor giving the fraction of the original timestep used for Runge Kutta Integration
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!*** input variables ***!
integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation)
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!*** output variables ***!
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
n, &
mySizeDotState
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
RK4dotTemperature ! evolution of Temperature of each grain for Runge Kutta integration
logical singleRun ! flag indicating computation for single (g,i,e) triple
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(:,ee) = ii
gIter(:,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(:,e) = FEsolving_execIP(1:2,e)
gIter(:,e) = (/1,homogenization_Ngrains(mesh_element(3,e))/)
enddo
singleRun = .false.
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- RESET DEPENDENT STATES AND DOTSTATE ---
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- FIRST RUNGE KUTTA STEP ---
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
RK4dotTemperature = 0.0_pReal ! initialize Runge-Kutta dotTemperature
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_RK4dotState(g,i,e)%p = 0.0_pReal ! initialize Runge-Kutta dotState
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
enddo; enddo; enddo
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- SECOND TO FOURTH RUNGE KUTTA STEP PLUS FINAL INTEGRATION ---
do n = 1,4
! --- state update ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_RK4dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p + weight(n)*constitutive_dotState(g,i,e)%p
RK4dotTemperature(g,i,e) = RK4dotTemperature(g,i,e) + weight(n)*crystallite_dotTemperature(g,i,e)
if (n == 4) then
constitutive_dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p / 6.0_pReal ! use weighted RKdotState for final integration
endif
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e) * timeStepFraction(n)
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- update dependent states ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- stress integration ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
if (crystallite_integrateStress(mode,g,i,e,timeStepFraction(n))) then ! fraction of original times step
if (n == 4) then ! final integration step
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. selectiveDebugger .and. e == debug_e .and. i == debug_i .and. g == debug_g) then
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
mySizeDotState = constitutive_sizeDotState(g,i,e)
!$OMP CRITICAL (write2out)
write(6,*) '::: updateState',g,i,e
write(6,*)
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
crystallite_converged(g,i,e) = .true. ! ... converged per definition
crystallite_todo(g,i,e) = .false. ! ... integration done
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(n,mode) = debug_StateLoopDistribution(n,mode) + 1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (distributionState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
else ! broken stress integration
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- dot state and RK dot state---
if (n < 4) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
timeStepFraction(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END PARALLEL
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- CHECK CONVERGENCE ---
crystallite_todo = .false. ! done with integration
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
if ( mode == 1 .and. .not. singleRun ) then ! for central solution
if (any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
endif
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endsubroutine
!********************************************************************
! integrate stress, state and Temperature with
! 5th order Runge-Kutta Cash-Karp method with adaptive step size
! (use 5th order solution to advance = "local extrapolation")
!********************************************************************
subroutine crystallite_integrateStateRKCK45(mode,gg,ii,ee)
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use debug, only: debugger, &
selectiveDebugger, &
verboseDebugger, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use numerics, only: rTol_crystalliteState, &
rTol_crystalliteTemperature, &
subStepSizeCryst, &
stepIncreaseCryst
use FEsolving, only: FEsolving_execElem, &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
FEsolving_execIP, &
theInc
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_maxSizeDotState, &
constitutive_state, &
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
constitutive_aTolState, &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
constitutive_subState0, &
constitutive_dotState, &
constitutive_RKCK45dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation)
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** output variables ***!
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
j, &
n, & ! stage index in integration stage loop
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeDotState, & ! size of dot State
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
s ! state index
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
RKCK45dotTemperature ! evolution of Temperature of each grain for Runge Kutta Cash Karp integration
real(pReal), dimension(5,5) :: a ! coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6)
real(pReal), dimension(6) :: b, db ! coefficients in Butcher tableau (used for final integration and error estimate)
real(pReal), dimension(5) :: c ! coefficients in Butcher tableau (fractions of original time step in stages 2 to 6)
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
stateResiduum, & ! residuum from evolution in micrstructure
relStateResiduum ! relative residuum from evolution in microstructure
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
temperatureResiduum, & ! residuum from evolution in temperature
relTemperatureResiduum ! relative residuum from evolution in temperature
logical singleRun ! flag indicating computation for single (g,i,e) triple
! --- FILL BUTCHER TABLEAU ---
a = 0.0_pReal
b = 0.0_pReal
db = 0.0_pReal
c = 0.0_pReal
a(1,1) = 0.2_pReal
a(1,2) = 0.075_pReal
a(2,2) = 0.225_pReal
a(1,3) = 0.3_pReal
a(2,3) = -0.9_pReal
a(3,3) = 1.2_pReal
a(1,4) = -11.0_pReal / 54.0_pReal
a(2,4) = 2.5_pReal
a(3,4) = -70.0_pReal / 27.0_pReal
a(4,4) = 35.0_pReal / 27.0_pReal
a(1,5) = 1631.0_pReal / 55296.0_pReal
a(2,5) = 175.0_pReal / 512.0_pReal
a(3,5) = 575.0_pReal / 13824.0_pReal
a(4,5) = 44275.0_pReal / 110592.0_pReal
a(5,5) = 253.0_pReal / 4096.0_pReal
b(1) = 37.0_pReal / 378.0_pReal
b(3) = 250.0_pReal / 621.0_pReal
b(4) = 125.0_pReal / 594.0_pReal
b(6) = 512.0_pReal / 1771.0_pReal
db(1) = b(1) - 2825.0_pReal / 27648.0_pReal
db(3) = b(3) - 18575.0_pReal / 48384.0_pReal
db(4) = b(4) - 13525.0_pReal / 55296.0_pReal
db(5) = - 277.0_pReal / 14336.0_pReal
db(6) = b(6) - 0.25_pReal
c(1) = 0.2_pReal
c(2) = 0.3_pReal
c(3) = 0.6_pReal
c(4) = 1.0_pReal
c(5) = 0.875_pReal
! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(:,ee) = ii
gIter(:,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(:,e) = FEsolving_execIP(1:2,e)
gIter(:,e) = (/1,homogenization_Ngrains(mesh_element(3,e))/)
enddo
singleRun = .false.
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- RESET DEPENDENT STATES AND DOTSTATE ---
!$OMP PARALLEL PRIVATE(mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- FIRST RUNGE KUTTA STEP ---
in RKCK45 state integration: dotState was not saved in last Runge-Kutta step
2010-10-27 14:18:04 +05:30
if (verboseDebugger) write(6,'(a,x,i1)') '<<<RUNGE KUTTA STEP',1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
do n = 1,5
! --- state update ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeDotState = constitutive_sizeDotState(g,i,e)
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_RKCK45dotState(n,g,i,e)%p = constitutive_dotState(g,i,e)%p ! store Runge-Kutta dotState
RKCK45dotTemperature(n,g,i,e) = crystallite_dotTemperature(g,i,e) ! store Runge-Kutta dotTemperature
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState
crystallite_dotTemperature(g,i,e) = 0.0_pReal ! reset dotTemperature
do j = 1,n ! rates as combination of Runge-Kutta rates
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
constitutive_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p + a(j,n) * constitutive_RKCK45dotState(j,g,i,e)%p
crystallite_dotTemperature(g,i,e) = crystallite_dotTemperature(g,i,e) + a(j,n) * RKCK45dotTemperature(j,g,i,e)
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- update dependent states ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- stress integration ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
if (.not. crystallite_integrateStress(mode,g,i,e,c(n))) then ! fraction of original time step
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- dot state and RK dot state---
in RKCK45 state integration: dotState was not saved in last Runge-Kutta step
2010-10-27 14:18:04 +05:30
if (verboseDebugger) write(6,'(a,x,i1)') '<<<RUNGE KUTTA STEP',n+1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
c(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo
! --- STATE UPDATE WITH ERROR ESTIMATE FOR STATE AND TEMPERATURE ---
stateResiduum = 0.0_pReal
temperatureResiduum = 0.0_pReal
relStateResiduum = 0.0_pReal
relTemperatureResiduum = 0.0_pReal
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeDotState = constitutive_sizeDotState(g,i,e)
in RKCK45 state integration: dotState was not saved in last Runge-Kutta step
2010-10-27 14:18:04 +05:30
constitutive_RKCK45dotState(6,g,i,e)%p = constitutive_dotState(g,i,e)%p ! store Runge-Kutta dotState
RKCK45dotTemperature(6,g,i,e) = crystallite_dotTemperature(g,i,e) ! store Runge-Kutta dotTemperature
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- absolute residuum in state and temperature ---
do j = 1,6
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
stateResiduum(1:mySizeDotState,g,i,e) = stateResiduum(1:mySizeDotState,g,i,e) &
+ db(j) * constitutive_RKCK45dotState(j,g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
temperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) + db(j) * RKCK45dotTemperature(j,g,i,e) * crystallite_subdt(g,i,e)
enddo
! --- dot state and dot temperature ---
constitutive_dotState(g,i,e)%p = 0.0_pReal
crystallite_dotTemperature(g,i,e) = 0.0_pReal
do j = 1,6
constitutive_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p + b(j) * constitutive_RKCK45dotState(j,g,i,e)%p
crystallite_dotTemperature(g,i,e) = crystallite_dotTemperature(g,i,e) + b(j) * RKCK45dotTemperature(j,g,i,e)
enddo
! --- state and temperature update and relative residui ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
forall (s = 1:mySizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / constitutive_state(g,i,e)%p(s)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (crystallite_Temperature(g,i,e) > 0) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
! --- state convergence ---
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
crystallite_todo(g,i,e) = &
( all( abs(relStateResiduum(:,g,i,e)) < rTol_crystalliteState &
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) ) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature )
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!$OMP CRITICAL (write2out)
write(6,*) '::: updateState',g,i,e
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum tolerance', stateResiduum(1:mySizeDotState,g,i,e) &
/ constitutive_aTolState(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(f12.1,x))') 'updateState: relative residuum tolerance', relStateResiduum(1:mySizeDotState,g,i,e) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
/ rTol_crystalliteState
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
! write(6,'(a)') 'updateState: RKCK45dotState'
! do j = 1,6
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! write(6,'(12(e14.8,x))') constitutive_RKCK45dotState(j,g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! write(6,*)
! enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- UPDATE DEPENDENT STATES IF RESIDUUM BELOW TOLERANCE ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- FINAL STRESS INTEGRATION STEP IF RESIDUUM BELOW TOLERANCE ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
if (crystallite_integrateStress(mode,g,i,e)) then
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
crystallite_todo(g,i,e) = .false. ! ... integration done
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(6,mode) = debug_StateLoopDistribution(6,mode) + 1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (distributionState)
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
else
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
endif
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END PARALLEL
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- nonlocal convergence check ---
if (verboseDebugger .and. mode==1) write(6,*) 'crystallite_converged',crystallite_converged
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
if ( mode == 1 .and. .not. singleRun ) then ! for central solution
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if ( any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
endif
endif
endsubroutine
!********************************************************************
! integrate stress, state and Temperature with
! 1nd order Euler method with adaptive step size
!********************************************************************
subroutine crystallite_integrateStateAdaptiveEuler(mode,gg,ii,ee)
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use debug, only: debugger, &
selectiveDebugger, &
verboseDebugger, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use numerics, only: rTol_crystalliteState, &
rTol_crystalliteTemperature, &
subStepSizeCryst, &
stepIncreaseCryst
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_maxSizeDotState, &
constitutive_state, &
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
constitutive_aTolState, &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
constitutive_subState0, &
constitutive_dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation)
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** output variables ***!
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
j, &
n, & ! stage index in integration stage loop
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeDotState, & ! size of dot State
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
s ! state index
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
stateResiduum, & ! residuum from evolution in micrstructure
relStateResiduum ! relative residuum from evolution in microstructure
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
temperatureResiduum, & ! residuum from evolution in temperature
relTemperatureResiduum ! relative residuum from evolution in temperature
logical singleRun ! flag indicating computation for single (g,i,e) triple
! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(:,ee) = ii
gIter(:,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(:,e) = FEsolving_execIP(1:2,e)
gIter(:,e) = (/1,homogenization_Ngrains(mesh_element(3,e))/)
enddo
singleRun = .false.
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- RESET DEPENDENT STATES AND DOTSTATE ---
!$OMP PARALLEL PRIVATE(mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- DOT STATE AND TEMPERATURE (EULER INTEGRATION) ---
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
stateResiduum = 0.0_pReal
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- STATE UPDATE (EULER INTEGRATION) ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (crystallite_todo(g,i,e)) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeDotState = constitutive_sizeDotState(g,i,e)
stateResiduum(1:mySizeDotState,g,i,e) = - 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
temperatureResiduum(g,i,e) = - 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- STRESS INTEGRATION (EULER INTEGRATION) ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
if (.not. crystallite_integrateStress(mode,g,i,e)) then
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- DOT STATE AND TEMPERATURE (HEUN METHOD) ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- ERROR ESTIMATE FOR STATE AND TEMPERATURE (HEUN METHOD) ---
relStateResiduum = 0.0_pReal
relTemperatureResiduum = 0.0_pReal
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
mySizeDotState = constitutive_sizeDotState(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- contribution of heun step to absolute residui ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
stateResiduum(1:mySizeDotState,g,i,e) = stateResiduum(1:mySizeDotState,g,i,e) &
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
+ 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
temperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) &
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
+ 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- relative residui ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
forall (s = 1:mySizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / constitutive_state(g,i,e)%p(s)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (crystallite_Temperature(g,i,e) > 0) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!$OMP CRITICAL (write2out)
write(6,*) '::: updateState',g,i,e
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum tolerance', stateResiduum(1:mySizeDotState,g,i,e) &
/ constitutive_aTolState(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(f12.1,x))') 'updateState: relative residuum tolerance', relStateResiduum(1:mySizeDotState,g,i,e) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
/ rTol_crystalliteState
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState) &
- 2.0_pReal * stateResiduum(1:mySizeDotState,g,i,e) / crystallite_subdt(g,i,e) ! calculate former dotstate from higher order solution and state residuum
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
! --- converged ? ---
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
if ( all( abs(relStateResiduum(:,g,i,e)) < rTol_crystalliteState &
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState)) &
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature ) then
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
crystallite_todo(g,i,e) = .false. ! ... integration done
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!$OMP CRITICAL (distributionState)
state loop count was wrong for adaptive euler integration
2010-10-28 17:52:17 +05:30
debug_StateLoopDistribution(2,mode) = debug_StateLoopDistribution(2,mode) + 1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (distributionState)
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END PARALLEL
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- NONLOCAL CONVERGENCE CHECK ---
if (verboseDebugger .and. mode==1) write(6,*) 'crystallite_converged',crystallite_converged
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
if ( mode == 1 .and. .not. singleRun ) then ! for central solution
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if ( any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
endif
endif
endsubroutine
!********************************************************************
! integrate stress, state and Temperature with
! 1st order explicit Euler method
!********************************************************************
subroutine crystallite_integrateStateEuler(mode,gg,ii,ee)
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use debug, only: debugger, &
selectiveDebugger, &
verboseDebugger, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation)
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** output variables ***!
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
n, &
mySizeDotState
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
logical singleRun ! flag indicating computation for single (g,i,e) triple
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(:,ee) = ii
gIter(:,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(:,e) = FEsolving_execIP(1:2,e)
gIter(:,e) = (/1,homogenization_Ngrains(mesh_element(3,e))/)
enddo
singleRun = .false.
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- RESET DEPENDENT STATES AND DOTSTATE ---
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- DOT STATE AND TEMPERATURE ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g,i,e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- UPDATE STATE AND TEMPERATURE ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!$OMP CRITICAL (write2out)
write(6,*) '::: updateState',g,i,e
write(6,*)
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- UPDATE DEPENDENT STATES ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- STRESS INTEGRATION ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
if (crystallite_integrateStress(mode,g,i,e)) then
crystallite_converged(g,i,e) = .true.
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(1,mode) = debug_StateLoopDistribution(1,mode) + 1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (distributionState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
else ! broken stress integration
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
!$OMP END PARALLEL
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- CHECK NON-LOCAL CONVERGENCE ---
crystallite_todo = .false. ! done with integration
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
if ( mode == 1 .and. .not. singleRun ) then ! for central solution
if (any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
endif
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endsubroutine
!********************************************************************
! integrate stress, state and Temperature with
! adaptive 1st order explicit Euler method
! using Fixed Point Iteration to adapt the stepsize
!********************************************************************
subroutine crystallite_integrateStateFPI(mode,gg,ii,ee)
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use debug, only: debugger, &
selectiveDebugger, &
verboseDebugger, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use numerics, only: nState
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure, &
constitutive_previousDotState, &
constitutive_previousDotState2
implicit none
!*** input variables ***!
integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation)
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** output variables ***!
!*** local variables ***!
integer(pInt) NiterationState, & ! number of iterations in state loop
e, & ! element index in element loop
i, & ! integration point index in ip loop
g ! grain index in grain loop
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal) dot_prod12, &
dot_prod22
logical singleRun ! flag indicating computation for single (g,i,e) triple
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(:,ee) = ii
gIter(:,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(:,e) = FEsolving_execIP(1:2,e)
gIter(:,e) = (/1,homogenization_Ngrains(mesh_element(3,e))/)
enddo
singleRun = .false.
endif
! --+>> PREGUESS FOR STATE <<+--
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- RESET DEPENDENT STATES AND DOTSTATE ---
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP PARALLEL
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
constitutive_previousDotState(g,i,e)%p = 0.0_pReal
constitutive_previousDotState2(g,i,e)%p = 0.0_pReal
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- DOT STATES ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g, i, e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- STATE & TEMPERATURE UPDATE ---
crystallite_statedamper = 1.0_pReal
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
crystallite_stateConverged(g,i,e) = crystallite_updateState(g,i,e) ! update state
crystallite_temperatureConverged(g,i,e) = crystallite_updateTemperature(g,i,e) ! update temperature
if ( .not. crystallite_localConstitution(g,i,e) .and. .not. crystallite_todo(g,i,e) ) then ! if updateState or updateTemperature signals broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
! --- UPDATE DEPENDENT STATES ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --+>> STATE LOOP <<+--
NiterationState = 0_pInt
do while (any(crystallite_todo) .and. NiterationState < nState ) ! convergence loop for crystallite
NiterationState = NiterationState + 1_pInt
! --- STRESS INTEGRATION ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(mode,g,i,e)
if ( .not. crystallite_localConstitution(g,i,e) .and. .not. crystallite_todo(g,i,e)) then ! if broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (verboseDebugger .and. mode == 1) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,*) count(crystallite_todo(:,:,:)),'grains todo after stress integration'
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
! --- DOT STATES ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g, i, e)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- STATE & TEMPERATURE UPDATE ---
crystallite_statedamper = 1.0_pReal
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO PRIVATE(dot_prod12,dot_prod22)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
! --- state damper ---
dot_prod12 = dot_product( constitutive_dotState(g,i,e)%p - constitutive_previousDotState(g,i,e)%p, &
constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p )
dot_prod22 = dot_product( constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p, &
constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p )
if ( dot_prod22 > 0.0_pReal &
.and. ( dot_prod12 < 0.0_pReal &
.or. dot_product(constitutive_dotState(g,i,e)%p, constitutive_previousDotState(g,i,e)%p) < 0.0_pReal) ) &
crystallite_statedamper(g,i,e) = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
! --- updates ---
crystallite_stateConverged(g,i,e) = crystallite_updateState(g,i,e) ! update state
crystallite_temperatureConverged(g,i,e) = crystallite_updateTemperature(g,i,e) ! update temperature
crystallite_converged(g,i,e) = crystallite_stateConverged(g,i,e) .and. crystallite_temperatureConverged(g,i,e)
if ( .not. crystallite_localConstitution(g,i,e) .and. .not. crystallite_todo(g,i,e)) then ! if updateState or updateTemperature signals broken non-local...
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (checkTodo)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
elseif (crystallite_converged(g,i,e)) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(NiterationState,mode) = debug_StateLoopDistribution(NiterationState,mode) + 1
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (distributionState)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endif
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! --- UPDATE DEPENDENT STATES ---
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
if (verboseDebugger .and. mode == 1) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,*) count(crystallite_converged(:,:,:)),'grains converged after state integration no.', NiterationState
write(6,*)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
! --- CONVERGENCE CHECK ---
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
if ( mode == 1 .and. .not. singleRun ) then ! for central solution
if (any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
endif
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged
if (verboseDebugger .and. mode == 1) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
write(6,*) count(crystallite_converged(:,:,:)),'grains converged after non-local check'
write(6,*) count(crystallite_todo(:,:,:)),'grains todo after state integration no.', NiterationState
write(6,*)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
enddo ! crystallite convergence loop
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END PARALLEL
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endsubroutine
!********************************************************************
! update the internal state of the constitutive law
! and tell whether state has converged
!********************************************************************
function crystallite_updateState(g,i,e)
!*** variables and functions from other modules ***!
use prec, only: pReal, &
pInt, &
pLongInt
use numerics, only: rTol_crystalliteState
use constitutive, only: constitutive_dotState, &
constitutive_previousDotState, &
constitutive_sizeDotState, &
constitutive_subState0, &
constitutive_state, &
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
constitutive_aTolState, &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
constitutive_microstructure
use debug, only: debugger, &
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
debug_g, &
debug_i, &
debug_e, &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
verboseDebugger
!*** input variables ***!
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
!*** output variables ***!
logical crystallite_updateState ! flag indicating if integration suceeded
!*** local variables ***!
real(pReal), dimension(constitutive_sizeDotState(g,i,e)) :: residuum ! residuum from evolution of microstructure
integer(pInt) mySize
mySize = constitutive_sizeDotState(g,i,e)
! correct my dotState
constitutive_dotState(g,i,e)%p(1:mySize) = constitutive_dotState(g,i,e)%p(1:mySize) * crystallite_statedamper(g,i,e) &
+ constitutive_previousDotState(g,i,e)%p(1:mySize) * (1.0_pReal-crystallite_statedamper(g,i,e))
residuum = constitutive_state(g,i,e)%p(1:mySize) - constitutive_subState0(g,i,e)%p(1:mySize) &
- constitutive_dotState(g,i,e)%p(1:mySize) * crystallite_subdt(g,i,e)
if (any(residuum/=residuum)) then ! if NaN occured then return without changing the state...
crystallite_updateState = .false. ! ...indicate state update failed
crystallite_todo(g,i,e) = .false. ! ...no need to calculate any further
if (verboseDebugger) then
!$OMP CRITICAL (write2out)
write(6,*) '::: updateState encountered NaN',g,i,e
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
return
endif
constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!) * somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 18:46:37 +05:30
! setting flag to true if residuum is below relative/absolute tolerance, otherwise set it to false
crystallite_updateState = all( abs(residuum) < constitutive_aTolState(g,i,e)%p(1:mySize) &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
.or. abs(residuum) < rTol_crystalliteState*abs(constitutive_state(g,i,e)%p(1:mySize)) )
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
!$OMP CRITICAL (write2out)
if (crystallite_updateState) then
write(6,*) '::: updateState converged',g,i,e
else
write(6,*) '::: updateState did not converge',g,i,e
endif
write(6,*)
write(6,'(a,f6.1)') 'updateState: crystallite_statedamper',crystallite_statedamper(g,i,e)
write(6,*)
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState',constitutive_dotState(g,i,e)%p(1:mySize)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 18:49:26 +05:30
write(6,'(a,/,12(e12.5,x))') 'updateState: new state',constitutive_state(g,i,e)%p(1:mySize)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) * in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 19:34:33 +05:30
write(6,'(a,/,12(f12.1,x))') 'updateState: relative residuum tolerance', abs(residuum / rTol_crystalliteState &
/ constitutive_state(g,i,e)%p(1:mySize))
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
endif
endfunction
!********************************************************************
! update the temperature of the grain
! and tell whether it has converged
!********************************************************************
function crystallite_updateTemperature(&
g,& ! grain number
i,& ! integration point number
e & ! element number
)
!*** variables and functions from other modules ***!
use prec, only: pReal, &
pInt, &
pLongInt
use numerics, only: rTol_crystalliteTemperature
use constitutive, only: constitutive_dotTemperature
use debug, only: debugger
!*** input variables ***!
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
!*** output variables ***!
logical crystallite_updateTemperature ! flag indicating if integration suceeded
!*** local variables ***!
real(pReal) residuum ! residuum from evolution of temperature
! calculate the residuum
residuum = crystallite_Temperature(g,i,e) - crystallite_subTemperature0(g,i,e) - &
crystallite_subdt(g,i,e) * &
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e),crystallite_Temperature(g,i,e),g,i,e)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
! if NaN occured then return without changing the state
if (residuum/=residuum) then
crystallite_updateTemperature = .false. ! indicate update failed
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_todo(g,i,e) = .false. ! ...no need to calculate any further
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
!$OMP CRITICAL (write2out)
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
write(6,*) '::: updateTemperature encountered NaN',g,i,e
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
return
endif
! update the microstructure
crystallite_Temperature(g,i,e) = crystallite_Temperature(g,i,e) - residuum
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
! setting flag to true if residuum is below relative tolerance (or zero Kelvin), otherwise set it to false
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
crystallite_updateTemperature = crystallite_Temperature(g,i,e) == 0.0_pReal .or. &
abs(residuum) < rTol_crystalliteTemperature*crystallite_Temperature(g,i,e)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
return
endfunction
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!***********************************************************************
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
!*** calculation of stress (P) with time integration ***
!*** based on a residuum in Lp and intermediate ***
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!*** acceleration of the Newton-Raphson correction ***
!***********************************************************************
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
function crystallite_integrateStress(&
1) terminallyIll was reset before FE did cutback --> useless extra calculations of same problem over and over... 2) local stiffness calculation is now standard for non-local grains 3) stressLoopDistribution discriminates between (a) central solution and (b) stiffness perturbation 4) debugger is switched on as standard... (but verboseDebugger not!)
2010-09-06 21:36:41 +05:30
mode, & ! 1: central solution, 2: stiffness (by perturbation)
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
g,& ! grain number
i,& ! integration point number
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
e,& ! element number
fraction &
)
1) terminallyIll was reset before FE did cutback --> useless extra calculations of same problem over and over... 2) local stiffness calculation is now standard for non-local grains 3) stressLoopDistribution discriminates between (a) central solution and (b) stiffness perturbation 4) debugger is switched on as standard... (but verboseDebugger not!)
2010-09-06 21:36:41 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
!*** variables and functions from other modules ***!
use prec, only: pReal, &
pInt, &
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
pLongInt
use numerics, only: nStress, &
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
aTol_crystalliteStress, &
rTol_crystalliteStress, &
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
iJacoLpresiduum, &
relevantStrain
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
use debug, only: debugger, &
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
debug_g, &
debug_i, &
debug_e, &
added flag verboseDebugger to debug in order to have more control about debugging statements set this to true if you want extended debugging info in the output file
2010-03-19 19:44:08 +05:30
verboseDebugger, &
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
debug_cumLpCalls, &
debug_cumLpTicks, &
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
debug_StressLoopDistribution, &
debug_LeapfrogBreakDistribution
constitutive_nonlocal: - dipole dislocations with evolution crystallite.f90: - collect state uses subdt and subTstar0_v - in nonlocal modus: set all crystallites to broken if one is not on track anymore after either stress integration or state update - constitutive_microstructure is now called inside state update and not in integrate_stress anymore material.config: - new parameter for nonlocal constitution CPFEM.f90: - age Tstar after increment was finished
2009-08-28 19:20:47 +05:30
use constitutive, only: constitutive_homogenizedC, &
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
constitutive_LpAndItsTangent
use math, only: math_mul33x33, &
math_mul66x6, &
math_mul99x99, &
math_inv3x3, &
math_invert3x3, &
sorry, forgot to declare all variables, promise to be more careful to always commit a running version of the subroutine ;-)
2009-06-02 15:25:45 +05:30
math_invert, &
math_det3x3, &
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
math_I3, &
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
math_identity2nd, &
math_Mandel66to3333, &
sorry, forgot to declare all variables, promise to be more careful to always commit a running version of the subroutine ;-)
2009-06-02 15:25:45 +05:30
math_Mandel6to33, &
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
math_mandel33to6
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
implicit none
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
!*** input variables ***!
1) terminallyIll was reset before FE did cutback --> useless extra calculations of same problem over and over... 2) local stiffness calculation is now standard for non-local grains 3) stressLoopDistribution discriminates between (a) central solution and (b) stiffness perturbation 4) debugger is switched on as standard... (but verboseDebugger not!)
2010-09-06 21:36:41 +05:30
integer(pInt), intent(in):: mode, & ! 1 or 2
e, & ! element index
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
i, & ! integration point index
g ! grain index
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
real(pReal), optional, intent(in) :: fraction ! fraction of timestep
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
!*** output variables ***!
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
logical crystallite_integrateStress ! flag indicating if integration suceeded
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** local variables ***!
real(pReal), dimension(3,3):: Fg_new, & ! deformation gradient at end of timestep
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
Fp_current, & ! plastic deformation gradient at start of timestep
Fp_new, & ! plastic deformation gradient at end of timestep
Fe_new, & ! elastic deformation gradient at end of timestep
invFp_new, & ! inverse of Fp_new
invFp_current, & ! inverse of Fp_current
Lpguess, & ! current guess for plastic velocity gradient
Lpguess_old, & ! known last good guess for plastic velocity gradient
Lp_constitutive, & ! plastic velocity gradient resulting from constitutive law
residuum, & ! current residuum of plastic velocity gradient
residuum_old, & ! last residuum of plastic velocity gradient
A, &
B, &
BT, &
AB, &
BTA
real(pReal), dimension(6):: Tstar_v ! 2nd Piola-Kirchhoff Stress in Mandel-Notation
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
real(pReal), dimension(9,9):: dLpdT_constitutive, & ! partial derivative of plastic velocity gradient calculated by constitutive law
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
dTdLp, & ! partial derivative of 2nd Piola-Kirchhoff stress
dRdLp, & ! partial derivative of residuum (Jacobian for NEwton-Raphson scheme)
invdRdLp ! inverse of dRdLp
real(pReal), dimension(3,3,3,3):: C ! 4th rank elasticity tensor
real(pReal), dimension(6,6):: C_66 ! simplified 2nd rank elasticity tensor
real(pReal) p_hydro, & ! volumetric part of 2nd Piola-Kirchhoff Stress
det, & ! determinant
leapfrog, & ! acceleration factor for Newton-Raphson scheme
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
maxleap, & ! maximum acceleration factor
dt ! time increment
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
logical error ! flag indicating an error
integer(pInt) NiterationStress, & ! number of stress integrations
dummy, &
h, &
j, &
k, &
l, &
m, &
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
n, &
jacoCounter ! counter to check for Jacobian update
added NAssi-Schneidermann-Diagrams to the documentation for better understanding. Also reordered the declaration of variables in the corresponding function in crystallite.f90
2009-06-02 15:07:38 +05:30
integer(pLongInt) tick, &
tock, &
tickrate, &
maxticks
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! be pessimistic
crystallite_integrateStress = .false.
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
! only integrate over fraction of timestep?
if (present(fraction)) then
dt = crystallite_subdt(g,i,e) * fraction
Fg_new = crystallite_subF0(:,:,g,i,e) + (crystallite_subF(:,:,g,i,e) - crystallite_subF0(:,:,g,i,e)) * fraction
else
dt = crystallite_subdt(g,i,e)
Fg_new = crystallite_subF(:,:,g,i,e)
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! feed local variables
Fp_current = crystallite_subFp0(:,:,g,i,e)
Tstar_v = crystallite_Tstar_v(:,g,i,e)
Lpguess_old = crystallite_Lp(:,:,g,i,e) ! consider present Lp good (i.e. worth remembering) ...
Lpguess = crystallite_Lp(:,:,g,i,e) ! ... and take it as first guess
constitutive_nonlocal: - dipole dislocations with evolution crystallite.f90: - collect state uses subdt and subTstar0_v - in nonlocal modus: set all crystallites to broken if one is not on track anymore after either stress integration or state update - constitutive_microstructure is now called inside state update and not in integrate_stress anymore material.config: - new parameter for nonlocal constitution CPFEM.f90: - age Tstar after increment was finished
2009-08-28 19:20:47 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! inversion of Fp_current...
invFp_current = math_inv3x3(Fp_current)
if (all(invFp_current == 0.0_pReal)) then ! ... failed?
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
!$OMP CRITICAL (write2out)
write(6,*) '::: integrateStress failed on invFp_current inversion',g,i,e
write(6,*)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
write(6,'(a11,i3,x,i2,x,i5,/,3(3(f12.7,x)/))') 'invFp_new at ',g,i,e,invFp_new
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
return
endif
A = math_mul33x33(transpose(invFp_current), math_mul33x33(transpose(Fg_new),math_mul33x33(Fg_new,invFp_current)))
! get elasticity tensor
C_66 = constitutive_homogenizedC(g,i,e)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
! if (debugger) write(6,'(a,/,6(6(f10.4,x)/))') 'elasticity',C_66(1:6,:)/1e9
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
C = math_Mandel66to3333(C_66)
! start LpLoop with no acceleration
NiterationStress = 0_pInt
leapfrog = 1.0_pReal
lattice: (re)introduced _symmetryType function to replace unsafe lookup array numerics: polishing mpie_cpfem_marc: polishing ..powerlaw: aware of symmetryType function crystallite: aware of symmetryType function, smaller leapfrog acceleration IO: new warning 101 CPFEM: range of odd stress is now -1e15...+1e15, H_sym is used for stiffness
2010-11-03 20:28:11 +05:30
maxleap = 16.0_pReal
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
jacoCounter = 0_pInt
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
LpLoop: do
! increase loop counter
NiterationStress = NiterationStress + 1
! too many loops required ?
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
if (NiterationStress > nStress) then
added flag verboseDebugger to debug in order to have more control about debugging statements set this to true if you want extended debugging info in the output file
2010-03-19 19:44:08 +05:30
if (verboseDebugger) then
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
!$OMP CRITICAL (write2out)
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
write(6,*) '::: integrateStress reached loop limit at ',g,i,e
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
endif
return
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
B = math_I3 - dt*Lpguess
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
BT = transpose(B)
AB = math_mul33x33(A,B)
BTA = math_mul33x33(BT,A)
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! calculate 2nd Piola-Kirchhoff stress tensor
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
Tstar_v = 0.5_pReal*math_mul66x6(C_66,math_mandel33to6(math_mul33x33(BT,AB)-math_I3))
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
p_hydro = sum(Tstar_v(1:3))/3.0_pReal
forall(n=1:3) Tstar_v(n) = Tstar_v(n) - p_hydro ! get deviatoric stress tensor
! calculate plastic velocity gradient and its tangent according to constitutive law
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
call constitutive_LpAndItsTangent(Lp_constitutive, dLpdT_constitutive, Tstar_v, crystallite_Temperature(g,i,e), g, i, e)
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
call system_clock(count=tock,count_rate=tickrate,count_max=maxticks)
debug_cumLpCalls = debug_cumLpCalls + 1_pInt
debug_cumLpTicks = debug_cumLpTicks + tock-tick
if (tock < tick) debug_cumLpTicks = debug_cumLpTicks + maxticks
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
!$OMP CRITICAL (write2out)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress at ' ,g,i,e, ' ; iteration ', NiterationStress
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
write(6,*)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
write(6,'(a,/,3(3(e20.7,x)/))') 'Lp_constitutive', Lp_constitutive
write(6,'(a,/,3(3(e20.7,x)/))') 'Lpguess', Lpguess
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
endif
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! update current residuum
residuum = Lpguess - Lp_constitutive
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! Check for convergence of loop
if (.not.(any(residuum/=residuum)) .and. & ! exclude any NaN in residuum
( maxval(abs(residuum)) < aTol_crystalliteStress .or. & ! below absolute tolerance .or.
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
( any(abs(dt*Lpguess) > relevantStrain) .and. & ! worth checking? .and.
maxval(abs(residuum/Lpguess), abs(dt*Lpguess) > relevantStrain) < rTol_crystalliteStress & ! below relative tolerance
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
) &
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
) &
) &
exit LpLoop
! NaN occured at regular speed?
if (any(residuum/=residuum) .and. leapfrog == 1.0) then
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
if (debugger) then
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
!$OMP CRITICAL (write2out)
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,i3,x,a)') '::: integrateStress encountered NaN at ',g,i,e,&
'; iteration ', NiterationStress, &
'>> returning..!'
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
endif
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
return
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! something went wrong at accelerated speed?
elseif (leapfrog > 1.0_pReal .and. & ! at fast pace .and.
( sum(residuum*residuum) > sum(residuum_old*residuum_old) .or. & ! worse residuum .or.
sum(residuum*residuum_old) < 0.0_pReal .or. & ! residuum changed sign (overshoot) .or.
any(residuum/=residuum) & ! NaN occured
) &
) then
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
if (verboseDebugger) then
!$OMP CRITICAL (write2out)
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,i3)') '::: integrateStress encountered high-speed crash at ',g,i,e,&
'; iteration ', NiterationStress
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
maxleap = 0.5_pReal * leapfrog ! limit next acceleration
leapfrog = 1.0_pReal ! grinding halt
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
jacoCounter = 0_pInt ! reset counter for Jacobian update (we want to do an update next time!)
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! restore old residuum and Lp
Lpguess = Lpguess_old
residuum = residuum_old
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
debug_LeapfrogBreakDistribution(NiterationStress,mode) = debug_LeapfrogBreakDistribution(NiterationStress,mode) + 1
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! residuum got better
else
! calculate Jacobian for correction term
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
if (mod(jacoCounter, iJacoLpresiduum) == 0_pInt) then
dTdLp = 0.0_pReal
exchanged forall (warning causers) to nested do loops deleted (currently unused) symmetrization of H tensor in CPFEM.f90 --> Denny pls advise?
2010-08-20 03:05:38 +05:30
do h=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3
! forall (h=1:3,j=1:3,k=1:3,l=1:3,m=1:3) &
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
dTdLp(3*(h-1)+j,3*(k-1)+l) = dTdLp(3*(h-1)+j,3*(k-1)+l) + C(h,j,l,m)*AB(k,m)+C(h,j,m,l)*BTA(m,k)
exchanged forall (warning causers) to nested do loops deleted (currently unused) symmetrization of H tensor in CPFEM.f90 --> Denny pls advise?
2010-08-20 03:05:38 +05:30
enddo; enddo; enddo; enddo; enddo
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
dTdLp = -0.5_pReal*dt*dTdLp
constitutive_nonlocal - take orientation gradients into account when calculating dislocation stress and dislocation fluxes - hard coded value for nu - changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config) - added some output statements constitutive: - some functions and subroutines needed additional input variables for passing to constitutive_nonlocal crystallite: - some functions and subroutines needed additional input variables for passing to constitutive - call microstructure with current temperature, Fp, Fe, not "sub0" values - show number of IPs, that are "onTrack" instead of those not "onTrack" - calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 21:01:52 +05:30
dRdLp = math_identity2nd(9) - math_mul99x99(dLpdT_constitutive,dTdLp)
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
invdRdLp = 0.0_pReal
call math_invert(9,dRdLp,invdRdLp,dummy,error) ! invert dR/dLp --> dLp/dR
if (error) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
!$OMP CRITICAL (write2out)
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,i3)') '::: integrateStress failed on dR/dLp inversion at ',g,i,e, &
'; iteration ', NiterationStress
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
write(6,*)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
write(6,'(a,/,9(9(e15.3,x)/))') 'dRdLp',dRdLp
write(6,'(a,/,9(9(e15.3,x)/))') 'dLpdT_constitutive',dLpdT_constitutive
write(6,'(a,/,3(3(e20.7,x)/))') 'Lp_constitutive',Lp_constitutive
write(6,'(a,/,3(3(e20.7,x)/))') 'Lpguess',Lpguess
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
endif
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
return
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
else
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
!$OMP CRITICAL (write2out)
1) added distribution of leapfrog breaks 2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 13:01:53 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,i3)') '::: integrateStress did dR/dLp inversion at ',g,i,e, &
'; iteration ', NiterationStress
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
write(6,*)
write(6,'(a,/,9(9(e15.3,x)/))') 'dRdLp',dRdLp
write(6,'(a,/,9(9(e15.3,x)/))') 'dLpdT_constitutive',dLpdT_constitutive
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
endif
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
endif
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
endif
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
jacoCounter = jacoCounter + 1_pInt ! increase counter for jaco update
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! remember current residuum and Lpguess
residuum_old = residuum
Lpguess_old = Lpguess
! accelerate?
lattice: (re)introduced _symmetryType function to replace unsafe lookup array numerics: polishing mpie_cpfem_marc: polishing ..powerlaw: aware of symmetryType function crystallite: aware of symmetryType function, smaller leapfrog acceleration IO: new warning 101 CPFEM: range of odd stress is now -1e15...+1e15, H_sym is used for stiffness
2010-11-03 20:28:11 +05:30
if (NiterationStress > 1 .and. leapfrog < maxleap) leapfrog = leapfrog + 1.0_pReal
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! leapfrog to updated Lp
exchanged forall (warning causers) to nested do loops deleted (currently unused) symmetrization of H tensor in CPFEM.f90 --> Denny pls advise?
2010-08-20 03:05:38 +05:30
do k=1,3; do l=1,3; do m=1,3; do n=1,3
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
Lpguess(k,l) = Lpguess(k,l) - leapfrog*invdRdLp(3*(k-1)+l,3*(m-1)+n)*residuum(m,n)
exchanged forall (warning causers) to nested do loops deleted (currently unused) symmetrization of H tensor in CPFEM.f90 --> Denny pls advise?
2010-08-20 03:05:38 +05:30
enddo; enddo; enddo; enddo
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
enddo LpLoop
! calculate new plastic and elastic deformation gradient
invFp_new = math_mul33x33(invFp_current,B)
invFp_new = invFp_new/math_det3x3(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
call math_invert3x3(invFp_new,Fp_new,det,error)
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
if (error) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
!$OMP CRITICAL (write2out)
corrected syntax errors (long lines, line continuation by \) and logical mistake in mpie_cpfem_marc / abq_std which went unnoticed in ifort. Using SunStudio f90 surfaced those...
2010-08-04 05:17:00 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress failed on invFp_new inversion at ',g,i,e, &
' ; iteration ', NiterationStress
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
write(6,*)
write(6,'(a11,3(i3,x),/,3(3(f12.7,x)/))') 'invFp_new at ',g,i,e,invFp_new
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
return
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
Fe_new = math_mul33x33(Fg_new,invFp_new) ! calc resulting Fe
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! add volumetric component to 2nd Piola-Kirchhoff stress
forall (n=1:3) Tstar_v(n) = Tstar_v(n) + p_hydro
! calculate 1st Piola-Kirchhoff stress
crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_new,math_mul33x33(math_Mandel6to33(Tstar_v),transpose(invFp_new)))
! store local values in global variables
crystallite_Lp(:,:,g,i,e) = Lpguess
crystallite_Tstar_v(:,g,i,e) = Tstar_v
crystallite_Fp(:,:,g,i,e) = Fp_new
crystallite_Fe(:,:,g,i,e) = Fe_new
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
crystallite_invFp(:,:,g,i,e) = invFp_new
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
! set return flag to true
crystallite_integrateStress = .true.
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (verboseDebugger .and. (e == debug_e .and. i == debug_i .and. g == debug_g)) then
quite some changes: # non-greedy memory allocation # generation of outputConstitutive to allow for script-based T16 extraction # exchange of phenomenological by more general phenopowerlaw # lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.) # nicer debugging output # changed some error/warning codes # plus potentially some minor additional brushes here and there
2009-07-22 21:37:19 +05:30
!$OMP CRITICAL (write2out)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress converged at ',g,i,e,' ; iteration ', NiterationStress
In crystallite_stressAndItsTangent: state is now correctly collected during perturbation method
2009-08-13 15:34:14 +05:30
write(6,*)
write(6,'(a,/,3(3(f12.7,x)/))') 'P / MPa',crystallite_P(:,:,g,i,e)/1e6
Some useful changes in damper for quicker convergence.
2010-09-22 14:24:36 +05:30
write(6,'(a,/,3(3(f12.7,x)/))') 'Cauchy / MPa',math_mul33x33(crystallite_P(:,:,g,i,e),transpose(Fg_new))/1e6/math_det3x3(Fg_new)
write(6,'(a,/,3(3(f12.7,x)/))') 'Fe Lp Fe^-1',math_mul33x33(Fe_new,math_mul33x33(crystallite_Lp(:,:,g,i,e),math_inv3x3(Fe_new)))
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
write(6,'(a,/,3(3(f12.7,x)/))') 'Fp',crystallite_Fp(:,:,g,i,e)
corrected two OMP CRITICAL terminations
2010-04-06 12:17:15 +05:30
!$OMP END CRITICAL (write2out)
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
endif
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
adapted crystallite_stressAndItsTangent to do a pre-guess for the state before the actual state loop (with order stress integration, state update)
2009-06-10 20:38:33 +05:30
!$OMP CRITICAL (distributionStress)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
debug_StressLoopDistribution(NiterationStress,mode) = debug_StressLoopDistribution(NiterationStress,mode) + 1
!$OMP END CRITICAL (distributionStress)
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
return
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
endfunction
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
!********************************************************************
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
! calculates orientations and disorientations (in case of single grain ips)
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
!********************************************************************
subroutine crystallite_orientations()
!*** variables and functions from other modules ***!
detabbed file for better readability
2010-02-19 19:14:38 +05:30
use prec, only: pInt, &
pReal
use math, only: math_pDecomposition, &
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_RtoQuaternion, &
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
math_QuaternionDisorientation, &
Like this Euler angles AND grain rotation should be OK.
2010-05-11 20:36:21 +05:30
inDeg, &
math_qConj
detabbed file for better readability
2010-02-19 19:14:38 +05:30
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use IO, only: IO_warning
use material, only: material_phase, &
homogenization_Ngrains, &
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
phase_constitution, &
phase_localConstitution, &
phase_constitutionInstance
detabbed file for better readability
2010-02-19 19:14:38 +05:30
use mesh, only: mesh_element, &
mesh_ipNeighborhood, &
FE_NipNeighbors
statedamper has to be local (specific for each e,i,g); with a global damping we may produce spurious convergence
2010-04-29 13:11:29 +05:30
use debug, only: debugger, &
debug_e, debug_i, debug_g, &
verboseDebugger, &
selectiveDebugger
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
use constitutive_nonlocal, only: constitutive_nonlocal_structure, &
constitutive_nonlocal_updateCompatibility
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
implicit none
!*** input variables ***!
!*** output variables ***!
!*** local variables ***!
detabbed file for better readability
2010-02-19 19:14:38 +05:30
integer(pInt) e, & ! element index
i, & ! integration point index
g, & ! grain index
n, & ! neighbor index
neighboring_e, & ! element index of my neighbor
neighboring_i, & ! integration point index of my neighbor
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
myPhase, & ! phase
neighboringPhase, &
myInstance, & ! instance of constitution
neighboringInstance, &
myStructure, & ! lattice structure
neighboringStructure
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
real(pReal), dimension(3,3) :: U, R
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
logical error
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
! --- CALCULATE ORIENTATION AND LATTICE ROTATION ---
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP PARALLEL
!$OMP DO PRIVATE(error,U,R)
detabbed file for better readability
2010-02-19 19:14:38 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(mesh_element(3,e))
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
call math_pDecomposition(crystallite_Fe(:,:,g,i,e), U, R, error) ! polar decomposition of Fe
detabbed file for better readability
2010-02-19 19:14:38 +05:30
if (error) then
call IO_warning(650, e, i, g)
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
crystallite_orientation(:,g,i,e) = (/1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! fake orientation
detabbed file for better readability
2010-02-19 19:14:38 +05:30
else
Like this Euler angles AND grain rotation should be OK.
2010-05-11 20:36:21 +05:30
crystallite_orientation(:,g,i,e) = math_RtoQuaternion(transpose(R))
detabbed file for better readability
2010-02-19 19:14:38 +05:30
endif
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
crystallite_rotation(:,g,i,e) = &
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
math_QuaternionDisorientation( math_qConj(crystallite_orientation(:,g,i,e)), & ! calculate grainrotation
Like this Euler angles AND grain rotation should be OK.
2010-05-11 20:36:21 +05:30
math_qConj(crystallite_orientation0(:,g,i,e)), &
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
0_pInt ) ! we don't want symmetry here
statedamper has to be local (specific for each e,i,g); with a global damping we may produce spurious convergence
2010-04-29 13:11:29 +05:30
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
enddo
enddo
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
! --- UPDATE SOME ADDITIONAL VARIABLES THAT ARE NEEDED FOR NONLOCAL MATERIAL ---
! --- we use crystallite_orientation from above, so need a seperate loop
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP DO PRIVATE(myPhase,myInstance,myStructure,neighboring_e,neighboring_i, &
!$OMP & neighboringPhase,neighboringInstance,neighboringStructure)
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
myPhase = material_phase(1,i,e) ! get my phase
if (.not. phase_localConstitution(myPhase)) then ! if nonlocal model
myInstance = phase_constitutionInstance(myPhase)
myStructure = constitutive_nonlocal_structure(myInstance) ! get my crystal structure
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
! --- calculate disorientation between me and my neighbor ---
do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
detabbed file for better readability
2010-02-19 19:14:38 +05:30
neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e)
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
if ((neighboring_e > 0) .and. (neighboring_i > 0)) then ! if neighbor exists
neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's phase
if (.not. phase_localConstitution(neighboringPhase)) then ! neighbor got also nonlocal constitution
neighboringInstance = phase_constitutionInstance(neighboringPhase)
neighboringStructure = constitutive_nonlocal_structure(neighboringInstance) ! get my neighbor's crystal structure
if (myStructure == neighboringStructure) then ! if my neighbor has same crystal structure like me
crystallite_disorientation(:,n,1,i,e) = &
math_QuaternionDisorientation( crystallite_orientation(:,1,i,e), &
crystallite_orientation(:,1,neighboring_i,neighboring_e), &
crystallite_symmetryID(1,i,e)) ! calculate disorientation
else ! for neighbor with different phase
crystallite_disorientation(:,n,1,i,e) = (/0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal/) ! 180 degree rotation about 100 axis
endif
else ! for neighbor with local constitution
crystallite_disorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! homomorphic identity
detabbed file for better readability
2010-02-19 19:14:38 +05:30
endif
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
else ! no existing neighbor
crystallite_disorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! homomorphic identity
statedamper has to be local (specific for each e,i,g); with a global damping we may produce spurious convergence
2010-04-29 13:11:29 +05:30
endif
detabbed file for better readability
2010-02-19 19:14:38 +05:30
enddo
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations" * reactivated debugging functionality for "non-standard" integration methods
2010-10-12 18:38:54 +05:30
! --- calculate compatibility and transmissivity between me and my neighbor ---
call constitutive_nonlocal_updateCompatibility(crystallite_orientation,i,e)
detabbed file for better readability
2010-02-19 19:14:38 +05:30
endif
enddo
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP ENDDO
!$OMP END PARALLEL
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
endsubroutine
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
!********************************************************************
! return results of particular grain
!********************************************************************
function crystallite_postResults(&
dt,& ! time increment
g,& ! grain number
i,& ! integration point number
e & ! element number
)
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
use math, only: math_QuaternionToEuler, &
crystallite: - grainrotation calculation now is done with symmetryID 0, i.e. without symmetry reduction since we want the absolute misorientation. - While math has everything in radians, post results eulerangles and axisangle are given in degrees. And: grain rotation seems OK after the previous changes in math module.
2010-05-07 17:31:46 +05:30
math_QuaternionToAxisAngle, &
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
math_mul33x33, &
math_I3, &
inDeg, &
math_Mandel6to33
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
use mesh, only: mesh_element
use material, only: microstructure_crystallite, &
crystallite_Noutput, &
material_phase, &
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
material_volume
use constitutive, only: constitutive_sizePostResults, &
constitutive_postResults
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
implicit none
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** input variables ***!
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
constitutive_nonlocal: - read in activation energy for dislocation glide from material.config - changed naming of dDipMin/Max to dLower/dUpper - added new outputs: rho_dot, rho_dot_dip, rho_dot_gen, rho_dot_sgl2dip, rho_dot_dip2sgl, rho_dot_ann_ath, rho_dot_ann_the, rho_dot_flux, d_upper_edge, d_upper_screw, d_upper_dot_edge, d_upper_dot_screw - poisson's ratio is now calculated from elastic constants - microstrucutre has state as first argument, since this is our output variable - periodic boundary conditions are taken into account for fluxes and internal stresses. for the moment, flag has to be set in constitutive_nonlocal. - corrected calculation for dipole formation by glide - added terms for dipole formation/annihilation by stress decrease/increase constitutive: - passing of arguments is adapted for constitutive_nonlocal model crystallite: - in stiffness calculation: call to collect_dotState used wrong arguments - crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults homogenization: - crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults IO: - changed error message 229 material.config: - changed example for nonlocal constitution according to constitutive_nonlocal all: - added some flush statements
2009-10-20 20:06:03 +05:30
real(pReal), intent(in):: dt ! time increment
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** output variables ***!
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,e)))+ &
1+constitutive_sizePostResults(g,i,e)) :: crystallite_postResults
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** local variables ***!
sorry, in rev 568 some variables were not declared in crystallite_postResults
2010-05-18 18:06:09 +05:30
real(pReal), dimension(3,3) :: Ee
integer(pInt) k,l,o,c,crystID,mySize
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
logical error
crystID = microstructure_crystallite(mesh_element(4,e))
crystallite_postResults = 0.0_pReal
c = 0_pInt
crystallite_postResults(c+1) = crystallite_sizePostResults(crystID); c = c+1_pInt ! size of results from cryst
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
do o = 1,crystallite_Noutput(crystID)
select case(crystallite_output(o,crystID))
case ('phase')
crystallite_postResults(c+1) = material_phase(g,i,e) ! phaseID of grain
c = c + 1_pInt
case ('volume')
crystallite_postResults(c+1) = material_volume(g,i,e) ! grain volume (not fraction but absolute, right?)
c = c + 1_pInt
case ('orientation')
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
crystallite_postResults(c+1:c+4) = &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
crystallite_orientation(:,g,i,e) ! grain orientation as quaternion
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
c = c + 4_pInt
case ('eulerangles')
crystallite: - grainrotation calculation now is done with symmetryID 0, i.e. without symmetry reduction since we want the absolute misorientation. - While math has everything in radians, post results eulerangles and axisangle are given in degrees. And: grain rotation seems OK after the previous changes in math module.
2010-05-07 17:31:46 +05:30
crystallite_postResults(c+1:c+3) = inDeg * &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
math_QuaternionToEuler(crystallite_orientation(:,g,i,e)) ! grain orientation as Euler angles in degree
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
c = c + 3_pInt
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
case ('grainrotation')
crystallite_postResults(c+1:c+4) = &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
math_QuaternionToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle
crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
c = c + 4_pInt
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('defgrad','f')
mySize = 9_pInt
crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_partionedF(:,:,g,i,e),(/mySize/))
c = c + mySize
case ('fe')
mySize = 9_pInt
crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_Fe(:,:,g,i,e),(/mySize/))
c = c + mySize
case ('ee')
Ee = 0.5_pReal * (math_mul33x33(transpose(crystallite_Fe(:,:,g,i,e)), crystallite_Fe(:,:,g,i,e)) - math_I3)
mySize = 9_pInt
crystallite_postResults(c+1:c+1+mySize) = reshape(Ee(:,:),(/mySize/))
c = c + mySize
case ('fp')
mySize = 9_pInt
crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_Fp(:,:,g,i,e),(/mySize/))
c = c + mySize
case ('p','firstpiola','1stpiola')
mySize = 9_pInt
crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_P(:,:,g,i,e),(/mySize/))
c = c + mySize
case ('s','tstar','secondpiola','2ndpiola')
mySize = 9_pInt
crystallite_postResults(c+1:c+1+mySize) = reshape(math_Mandel6to33(crystallite_Tstar_v(:,g,i,e)),(/mySize/))
c = c + mySize
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
end select
enddo
sorry, back to the previous version. grain deformation output is part of crystallite.f90, no longer done by homogenization. material.config reflects the changes.
2009-10-22 22:29:24 +05:30
crystallite_postResults(c+1) = constitutive_sizePostResults(g,i,e); c = c+1_pInt ! size of constitutive results
crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = &
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
constitutive_postResults(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
crystallite_Temperature(g,i,e), crystallite_disorientation(:,:,g,i,e), dt, &
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
crystallite_subdt(g,i,e), g, i, e)
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
c = c + constitutive_sizePostResults(g,i,e)
constitutive_nonlocal: - read in activation energy for dislocation glide from material.config - changed naming of dDipMin/Max to dLower/dUpper - added new outputs: rho_dot, rho_dot_dip, rho_dot_gen, rho_dot_sgl2dip, rho_dot_dip2sgl, rho_dot_ann_ath, rho_dot_ann_the, rho_dot_flux, d_upper_edge, d_upper_screw, d_upper_dot_edge, d_upper_dot_screw - poisson's ratio is now calculated from elastic constants - microstrucutre has state as first argument, since this is our output variable - periodic boundary conditions are taken into account for fluxes and internal stresses. for the moment, flag has to be set in constitutive_nonlocal. - corrected calculation for dipole formation by glide - added terms for dipole formation/annihilation by stress decrease/increase constitutive: - passing of arguments is adapted for constitutive_nonlocal model crystallite: - in stiffness calculation: call to collect_dotState used wrong arguments - crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults homogenization: - crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults IO: - changed error message 229 material.config: - changed example for nonlocal constitution according to constitutive_nonlocal all: - added some flush statements
2009-10-20 20:06:03 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
return
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
endfunction
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
END MODULE
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
!##############################################################