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major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incorporating kinematics resulting from thermal expansion
!> @details to be done
!--------------------------------------------------------------------------------------------------
module kinematics_thermal_expansion
use prec, only: &
pReal, &
pInt
implicit none
private
integer(pInt), dimension(:), allocatable, public, protected :: &
kinematics_thermal_expansion_sizePostResults, & !< cumulative size of post results
kinematics_thermal_expansion_offset, & !< which kinematics is my current damage mechanism?
kinematics_thermal_expansion_instance !< instance of damage kinematics mechanism
integer(pInt), dimension(:,:), allocatable, target, public :: &
kinematics_thermal_expansion_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: &
kinematics_thermal_expansion_output !< name of each post result output
integer(pInt), dimension(:), allocatable, target, public :: &
kinematics_thermal_expansion_Noutput !< number of outputs per instance of this damage
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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! enum, bind(c) ! ToDo kinematics need state machinery to deal with sizePostResult
! enumerator :: undefined_ID, & ! possible remedy is to decouple having state vars from having output
! thermalexpansionrate_ID ! which means to separate user-defined types tState + tOutput...
! end enum
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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public :: &
kinematics_thermal_expansion_init, &
initialise Fi correctly for initial field values away from equilibrium
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kinematics_thermal_expansion_initialStrain, &
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kinematics_thermal_expansion_LiAndItsTangent
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_init(fileUnit)
compiler_options and compiler_version supported by new Intel compiler
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#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
suppress warning when compiling with gfortran
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use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use IO, only: &
IO_read, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_intValue, &
IO_warning, &
IO_error, &
IO_timeStamp, &
IO_EOF
use material, only: &
phase_kinematics, &
phase_Nkinematics, &
phase_Noutput, &
KINEMATICS_thermal_expansion_label, &
material.config is read in centrally moving data from material to config_material. use statements need to change. All aspects of reading from file will be removed from the individual modules
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KINEMATICS_thermal_expansion_ID
use config_material, only: &
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material_Nphase, &
MATERIAL_partPhase
implicit none
integer(pInt), intent(in) :: fileUnit
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
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integer(pInt), allocatable, dimension(:) :: chunkPos
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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integer(pInt) :: maxNinstance,phase,instance,kinematics
character(len=65536) :: &
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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tag = '', &
line = ''
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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output already disabled for worldrank !=0
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write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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#include "compilation_info.f90"
maxNinstance = int(count(phase_kinematics == KINEMATICS_thermal_expansion_ID),pInt)
if (maxNinstance == 0_pInt) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
allocate(kinematics_thermal_expansion_offset(material_Nphase), source=0_pInt)
allocate(kinematics_thermal_expansion_instance(material_Nphase), source=0_pInt)
do phase = 1, material_Nphase
kinematics_thermal_expansion_instance(phase) = count(phase_kinematics(:,1:phase) == kinematics_thermal_expansion_ID)
do kinematics = 1, phase_Nkinematics(phase)
if (phase_kinematics(kinematics,phase) == kinematics_thermal_expansion_ID) &
kinematics_thermal_expansion_offset(phase) = kinematics
enddo
enddo
allocate(kinematics_thermal_expansion_sizePostResults(maxNinstance), source=0_pInt)
allocate(kinematics_thermal_expansion_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
allocate(kinematics_thermal_expansion_output(maxval(phase_Noutput),maxNinstance))
kinematics_thermal_expansion_output = ''
allocate(kinematics_thermal_expansion_Noutput(maxNinstance), source=0_pInt)
rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit)
enddo
parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') then ! next phase section
phase = phase + 1_pInt ! advance phase section counter
cycle ! skip to next line
endif
if (phase > 0_pInt ) then; if (any(phase_kinematics(:,phase) == KINEMATICS_thermal_expansion_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
instance = kinematics_thermal_expansion_instance(phase) ! which instance of my damage is present phase
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
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chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key...
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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select case(tag)
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! case ('(output)')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
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! output = IO_lc(IO_stringValue(line,chunkPos,2_pInt)) ! ...and corresponding output
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! select case(output)
! case ('thermalexpansionrate')
! kinematics_thermal_expansion_Noutput(instance) = kinematics_thermal_expansion_Noutput(instance) + 1_pInt
! kinematics_thermal_expansion_outputID(kinematics_thermal_expansion_Noutput(instance),instance) = &
! thermalexpansionrate_ID
! kinematics_thermal_expansion_output(kinematics_thermal_expansion_Noutput(instance),instance) = output
! ToDo add sizePostResult loop afterwards...
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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end select
endif; endif
enddo parsingFile
end subroutine kinematics_thermal_expansion_init
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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!--------------------------------------------------------------------------------------------------
!> @brief report initial thermal strain based on current temperature deviation from reference
!--------------------------------------------------------------------------------------------------
initialise Fi correctly for initial field values away from equilibrium
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pure function kinematics_thermal_expansion_initialStrain(ipc, ip, el)
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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use material, only: &
material_phase, &
material_homog, &
temperature, &
thermalMapping
use lattice, only: &
lattice_thermalExpansion33, &
lattice_referenceTemperature
implicit none
fixed issues causing compilation errors
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integer(pInt), intent(in) :: &
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
initialise Fi correctly for initial field values away from equilibrium
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kinematics_thermal_expansion_initialStrain !< initial thermal strain (should be small strain, though)
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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integer(pInt) :: &
phase, &
homog, offset
phase = material_phase(ipc,ip,el)
homog = material_homog(ip,el)
offset = thermalMapping(homog)%p(ip,el)
initialise Fi correctly for initial field values away from equilibrium
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kinematics_thermal_expansion_initialStrain = &
thermal expansion coefficient alpha = a + b(T-T_0) + c(T-T_0)^2
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(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**1 / 1. * &
lattice_thermalExpansion33(1:3,1:3,1,phase) + & ! constant coefficient
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**2 / 2. * &
lattice_thermalExpansion33(1:3,1:3,2,phase) + & ! linear coefficient
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**3 / 3. * &
lattice_thermalExpansion33(1:3,1:3,3,phase) ! quadratic coefficient
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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initialise Fi correctly for initial field values away from equilibrium
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end function kinematics_thermal_expansion_initialStrain
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar3333, ipc, ip, el)
use material, only: &
material_phase, &
material_homog, &
finite strain correction for respective expansions
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temperature, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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temperatureRate, &
thermalMapping
new function to report initial thermal strain based on current temperature deviation from reference. to be used in constitutive_initialFi, which collects from all kinematics, derives and sums Li terms to report initial Fi.
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use lattice, only: &
finite strain correction for respective expansions
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lattice_thermalExpansion33, &
lattice_referenceTemperature
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(out), dimension(3,3) :: &
Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
fixed issues causing compilation errors
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dLi_dTstar3333 !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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integer(pInt) :: &
phase, &
homog, offset
finite strain correction for respective expansions
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real(pReal) :: &
T, TRef, TDot
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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phase = material_phase(ipc,ip,el)
homog = material_homog(ip,el)
offset = thermalMapping(homog)%p(ip,el)
finite strain correction for respective expansions
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T = temperature(homog)%p(offset)
TDot = temperatureRate(homog)%p(offset)
TRef = lattice_referenceTemperature(phase)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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thermal expansion coefficient alpha = a + b(T-T_0) + c(T-T_0)^2
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Li = TDot * ( &
lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**0 & ! constant coefficient
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**1 & ! linear coefficient
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**2 & ! quadratic coefficient
) / &
(1.0_pReal \
+ lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**1 / 1. &
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**2 / 2. &
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**3 / 3. &
)
fixed issues causing compilation errors
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dLi_dTstar3333 = 0.0_pReal
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
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end subroutine kinematics_thermal_expansion_LiAndItsTangent
end module kinematics_thermal_expansion