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small improvements 

checking size of arguments (not shape)
length of lattice structure not limited to 3 any more
This commit is contained in:
Martin Diehl 2019-01-25 14:01:17 +01:00
parent 99ef353446
commit e9087f83fe
3 changed files with 66 additions and 72 deletions
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52
src/plastic_disloUCLA.f90
View File

@ -93,7 +93,7 @@ module plastic_disloUCLA
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:), private :: param type(tParameters), allocatable, dimension(:), private :: param
type(tDisloUCLAState ), allocatable, dimension(:), private :: & type(tDisloUCLAState), allocatable, dimension(:), private :: &
dotState, & dotState, &
state state
type(tDisloUCLAdependentState), allocatable, dimension(:), private :: dependentState type(tDisloUCLAdependentState), allocatable, dimension(:), private :: dependentState
@ -164,7 +164,6 @@ subroutine plastic_disloUCLA_init()
outputID outputID
character(len=pStringLen) :: & character(len=pStringLen) :: &
structure = '',&
extmsg = '' extmsg = ''
character(len=65536), dimension(:), allocatable :: & character(len=65536), dimension(:), allocatable :: &
outputs outputs
@ -197,8 +196,6 @@ subroutine plastic_disloUCLA_init()
dst => dependentState(phase_plasticityInstance(p)), & dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p)) config => config_phase(p))
structure = config%getString('lattice_structure')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! optional parameters that need to be defined ! optional parameters that need to be defined
prm%mu = lattice_mu(p) prm%mu = lattice_mu(p)
@ -213,36 +210,37 @@ subroutine plastic_disloUCLA_init()
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%totalNslip = sum(prm%Nslip)
slipActive: if (prm%totalNslip > 0_pInt) then slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(structure=='bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& if(trim(config%getString('lattice_structure')) == 'bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray) defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else else
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
structure(1:3)) config%getString('lattice_structure'))
prm%rho0 = config%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip))
prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredShape=shape(prm%Nslip)) prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%Nslip))
prm%v0 = config%getFloats('v0', requiredShape=shape(prm%Nslip)) prm%v0 = config%getFloats('v0', requiredSize=size(prm%Nslip))
prm%burgers = config%getFloats('slipburgers', requiredShape=shape(prm%Nslip)) prm%burgers = config%getFloats('slipburgers', requiredSize=size(prm%Nslip))
prm%H0kp = config%getFloats('qedge', requiredShape=shape(prm%Nslip)) prm%H0kp = config%getFloats('qedge', requiredSize=size(prm%Nslip))
prm%clambda = config%getFloats('clambdaslip', requiredShape=shape(prm%Nslip)) prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%Nslip))
prm%tau_Peierls = config%getFloats('tau_peierls', requiredShape=shape(prm%Nslip)) ! ToDo: Deprecated prm%tau_Peierls = config%getFloats('tau_peierls', requiredSize=size(prm%Nslip)) ! ToDo: Deprecated
prm%p = config%getFloats('p_slip', requiredShape=shape(prm%Nslip), & prm%p = config%getFloats('p_slip', requiredSize=size(prm%Nslip), &
defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%q = config%getFloats('q_slip', requiredShape=shape(prm%Nslip), & prm%q = config%getFloats('q_slip', requiredSize=size(prm%Nslip), &
defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%kink_height = config%getFloats('kink_height', requiredShape=shape(prm%Nslip)) prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%Nslip))
prm%w = config%getFloats('kink_width', requiredShape=shape(prm%Nslip)) prm%w = config%getFloats('kink_width', requiredSize=size(prm%Nslip))
prm%omega = config%getFloats('omega', requiredShape=shape(prm%Nslip)) prm%omega = config%getFloats('omega', requiredSize=size(prm%Nslip))
prm%B = config%getFloats('friction_coeff', requiredShape=shape(prm%Nslip)) prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%Nslip))
prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! ToDo: Deprecated prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! ToDo: Deprecated
prm%grainSize = config%getFloat('grainsize') prm%grainSize = config%getFloat('grainsize')
@ -250,7 +248,7 @@ subroutine plastic_disloUCLA_init()
prm%Qsd = config%getFloat('qsd') prm%Qsd = config%getFloat('qsd')
prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers**3.0_pReal prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers**3.0_pReal
prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%burgers prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%burgers
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-key prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho0 = math_expand(prm%rho0, prm%Nslip)

38
src/plastic_kinematichardening.f90
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@ -151,7 +151,6 @@ subroutine plastic_kinehardening_init
outputID outputID
character(len=pStringLen) :: & character(len=pStringLen) :: &
structure = '',&
extmsg = '' extmsg = ''
character(len=65536), dimension(:), allocatable :: & character(len=65536), dimension(:), allocatable :: &
outputs outputs
@ -187,8 +186,6 @@ subroutine plastic_kinehardening_init
endif endif
#endif #endif
structure = config%getString('lattice_structure')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! optional parameters that need to be defined ! optional parameters that need to be defined
prm%aTolResistance = config%getFloat('atol_resistance',defaultVal=1.0_pReal) prm%aTolResistance = config%getFloat('atol_resistance',defaultVal=1.0_pReal)
@ -203,28 +200,29 @@ subroutine plastic_kinehardening_init
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%totalNslip = sum(prm%Nslip)
slipActive: if (prm%totalNslip > 0_pInt) then slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(structure=='bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& if(trim(config%getString('lattice_structure')) == 'bcc') then
defaultVal = emptyRealArray) prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) defaultVal = emptyRealArray)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else else
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
structure(1:3)) config%getString('lattice_structure'))
prm%crss0 = config%getFloats('crss0', requiredShape=shape(prm%Nslip)) prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip))
prm%tau1 = config%getFloats('tau1', requiredShape=shape(prm%Nslip)) prm%tau1 = config%getFloats('tau1', requiredSize=size(prm%Nslip))
prm%tau1_b = config%getFloats('tau1_b', requiredShape=shape(prm%Nslip)) prm%tau1_b = config%getFloats('tau1_b', requiredSize=size(prm%Nslip))
prm%theta0 = config%getFloats('theta0', requiredShape=shape(prm%Nslip)) prm%theta0 = config%getFloats('theta0', requiredSize=size(prm%Nslip))
prm%theta1 = config%getFloats('theta1', requiredShape=shape(prm%Nslip)) prm%theta1 = config%getFloats('theta1', requiredSize=size(prm%Nslip))
prm%theta0_b = config%getFloats('theta0_b', requiredShape=shape(prm%Nslip)) prm%theta0_b = config%getFloats('theta0_b', requiredSize=size(prm%Nslip))
prm%theta1_b = config%getFloats('theta1_b', requiredShape=shape(prm%Nslip)) prm%theta1_b = config%getFloats('theta1_b', requiredSize=size(prm%Nslip))
prm%gdot0 = config%getFloat('gdot0') prm%gdot0 = config%getFloat('gdot0')
prm%n = config%getFloat('n_slip') prm%n = config%getFloat('n_slip')

48
src/plastic_phenopowerlaw.f90
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@ -153,7 +153,6 @@ subroutine plastic_phenopowerlaw_init
outputID outputID
character(len=pStringLen) :: & character(len=pStringLen) :: &
structure = '',&
extmsg = '' extmsg = ''
character(len=65536), dimension(:), allocatable :: & character(len=65536), dimension(:), allocatable :: &
outputs outputs
@ -181,8 +180,6 @@ subroutine plastic_phenopowerlaw_init
stt => state(phase_plasticityInstance(p)), & stt => state(phase_plasticityInstance(p)), &
config => config_phase(p)) config => config_phase(p))
structure = config%getString('lattice_structure')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! optional parameters that need to be defined ! optional parameters that need to be defined
prm%twinB = config%getFloat('twin_b',defaultVal=1.0_pReal) prm%twinB = config%getFloat('twin_b',defaultVal=1.0_pReal)
@ -204,30 +201,31 @@ subroutine plastic_phenopowerlaw_init
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%totalNslip = sum(prm%Nslip)
slipActive: if (prm%totalNslip > 0_pInt) then slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(structure=='bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& if(trim(config%getString('lattice_structure')) == 'bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray) defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else else
prm%nonSchmid_pos = prm%Schmid_slip prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip prm%nonSchmid_neg = prm%Schmid_slip
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
structure(1:3)) config%getString('lattice_structure'))
prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip)) prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip))
prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip)) prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip))
prm%H_int = config%getFloats('h_int', requiredSize=size(prm%Nslip), & prm%H_int = config%getFloats('h_int', requiredSize=size(prm%Nslip), &
defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%gdot0_slip = config%getFloat('gdot0_slip') prm%gdot0_slip = config%getFloat('gdot0_slip')
prm%n_slip = config%getFloat('n_slip') prm%n_slip = config%getFloat('n_slip')
prm%a_slip = config%getFloat('a_slip') prm%a_slip = config%getFloat('a_slip')
prm%h0_SlipSlip = config%getFloat('h0_slipslip') prm%h0_SlipSlip = config%getFloat('h0_slipslip')
! expand: family => system ! expand: family => system
prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip) prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip)
@ -250,12 +248,12 @@ subroutine plastic_phenopowerlaw_init
prm%Ntwin = config%getInts('ntwin', defaultVal=emptyIntArray) prm%Ntwin = config%getInts('ntwin', defaultVal=emptyIntArray)
prm%totalNtwin = sum(prm%Ntwin) prm%totalNtwin = sum(prm%Ntwin)
twinActive: if (prm%totalNtwin > 0_pInt) then twinActive: if (prm%totalNtwin > 0_pInt) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
config%getFloats('interaction_twintwin'), & config%getFloats('interaction_twintwin'), &
structure(1:3)) config%getString('lattice_structure'))
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),& prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a')) config%getFloat('c/a'))
prm%xi_twin_0 = config%getFloats('tau0_twin',requiredSize=size(prm%Ntwin)) prm%xi_twin_0 = config%getFloats('tau0_twin',requiredSize=size(prm%Ntwin))
@ -282,10 +280,10 @@ subroutine plastic_phenopowerlaw_init
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
config%getFloats('interaction_sliptwin'), & config%getFloats('interaction_sliptwin'), &
structure(1:3)) config%getString('lattice_structure'))
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
config%getFloats('interaction_twinslip'), & config%getFloats('interaction_twinslip'), &
structure(1:3)) config%getString('lattice_structure'))
else slipAndTwinActive else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0 allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0 allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0