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Merge branch 'cleaning-pInt-use' into 'development' 

Remove use-only statements

See merge request damask/DAMASK!83
This commit is contained in:
Martin Diehl 2019-05-30 08:48:23 +02:00
parent 144361295d 358272eb2e
commit b25c64d10d
30 changed files with 1049 additions and 1959 deletions
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2
cmake/Compiler-Intel.cmake
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@ -32,6 +32,8 @@
# disables warnings ... # disables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268") set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
# ... the text exceeds right hand column allowed on the line (we have only comments there) # ... the text exceeds right hand column allowed on the line (we have only comments there)
set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
# ... about deprecated forall (has nice syntax and most likely a performance advantage)
set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn") set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
# enables warnings ... # enables warnings ...

7
src/DAMASK_interface.f90
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@ -14,7 +14,11 @@
#define PETSC_MAJOR 3 #define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 10 #define PETSC_MINOR_MIN 10
#define PETSC_MINOR_MAX 11 #define PETSC_MINOR_MAX 11
module DAMASK_interface module DAMASK_interface
use, intrinsic :: iso_fortran_env
use PETScSys
use prec use prec
use system_routines use system_routines
@ -50,9 +54,6 @@ contains
!! information on computation to screen !! information on computation to screen
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init subroutine DAMASK_interface_init
use, intrinsic :: iso_fortran_env
use PETScSys
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
#if defined(__GFORTRAN__) && __GNUC__<GCC_MIN #if defined(__GFORTRAN__) && __GNUC__<GCC_MIN
=================================================================================================== ===================================================================================================

10
src/HDF5_utilities.f90
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@ -8,6 +8,8 @@ module HDF5_utilities
use prec use prec
use IO use IO
use HDF5 use HDF5
use rotations
use numerics
#ifdef PETSc #ifdef PETSc
use PETSC use PETSC
#endif #endif
@ -1676,8 +1678,6 @@ end subroutine HDF5_write_int7
! ToDo: We could optionally write out other representations (axis angle, euler, ...) ! ToDo: We could optionally write out other representations (axis angle, euler, ...)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine HDF5_write_rotation(loc_id,dataset,datasetName,parallel) subroutine HDF5_write_rotation(loc_id,dataset,datasetName,parallel)
use rotations, only: &
rotation
type(rotation), intent(in), dimension(:) :: dataset type(rotation), intent(in), dimension(:) :: dataset
integer(HID_T), intent(in) :: loc_id !< file or group handle integer(HID_T), intent(in) :: loc_id !< file or group handle
@ -1754,9 +1754,6 @@ end subroutine HDF5_write_rotation
subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, globalShape, & myStart, globalShape, &
loc_id,localShape,datasetName,parallel) loc_id,localShape,datasetName,parallel)
use numerics, only: &
worldrank, &
worldsize
integer(HID_T), intent(in) :: loc_id !< file or group handle integer(HID_T), intent(in) :: loc_id !< file or group handle
character(len=*), intent(in) :: datasetName !< name of the dataset in the file character(len=*), intent(in) :: datasetName !< name of the dataset in the file
@ -1850,9 +1847,6 @@ end subroutine finalize_read
subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, & subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
myStart, totalShape, & myStart, totalShape, &
loc_id,myShape,datasetName,datatype,parallel) loc_id,myShape,datasetName,datatype,parallel)
use numerics, only: &
worldrank, &
worldsize
integer(HID_T), intent(in) :: loc_id !< file or group handle integer(HID_T), intent(in) :: loc_id !< file or group handle
character(len=*), intent(in) :: datasetName !< name of the dataset in the file character(len=*), intent(in) :: datasetName !< name of the dataset in the file

18
src/Lambert.f90
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@ -38,11 +38,13 @@
!> Modeling and Simulations in Materials Science and Engineering 22, 075013 (2014). !> Modeling and Simulations in Materials Science and Engineering 22, 075013 (2014).
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------
module Lambert module Lambert
use prec
use math use math
implicit none implicit none
private private
real(pReal), parameter, private :: &
real(pReal), parameter :: &
SPI = sqrt(PI), & SPI = sqrt(PI), &
PREF = sqrt(6.0_pReal/PI), & PREF = sqrt(6.0_pReal/PI), &
A = PI**(5.0_pReal/6.0_pReal)/6.0_pReal**(1.0_pReal/6.0_pReal), & A = PI**(5.0_pReal/6.0_pReal)/6.0_pReal**(1.0_pReal/6.0_pReal), &
@ -55,10 +57,8 @@ module Lambert
PREK = R1 * 2.0_pReal**(1.0_pReal/4.0_pReal)/BETA PREK = R1 * 2.0_pReal**(1.0_pReal/4.0_pReal)/BETA
public :: & public :: &
LambertCubeToBall, & Lambert_CubeToBall, &
LambertBallToCube Lambert_BallToCube
private :: &
GetPyramidOrder
contains contains
@ -68,7 +68,7 @@ contains
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief map from 3D cubic grid to 3D ball !> @brief map from 3D cubic grid to 3D ball
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------
function LambertCubeToBall(cube) result(ball) function Lambert_CubeToBall(cube) result(ball)
real(pReal), intent(in), dimension(3) :: cube real(pReal), intent(in), dimension(3) :: cube
real(pReal), dimension(3) :: ball, LamXYZ, XYZ real(pReal), dimension(3) :: ball, LamXYZ, XYZ
@ -116,7 +116,7 @@ function LambertCubeToBall(cube) result(ball)
endif center endif center
end function LambertCubeToBall end function Lambert_CubeToBall
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------
@ -124,7 +124,7 @@ end function LambertCubeToBall
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief map from 3D ball to 3D cubic grid !> @brief map from 3D ball to 3D cubic grid
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------
pure function LambertBallToCube(xyz) result(cube) pure function Lambert_BallToCube(xyz) result(cube)
real(pReal), intent(in), dimension(3) :: xyz real(pReal), intent(in), dimension(3) :: xyz
real(pReal), dimension(3) :: cube, xyz1, xyz3 real(pReal), dimension(3) :: cube, xyz1, xyz3
@ -170,7 +170,7 @@ pure function LambertBallToCube(xyz) result(cube)
endif center endif center
end function LambertBallToCube end function Lambert_BallToCube
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------

38
src/config.f90
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@ -7,10 +7,14 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module config module config
use prec use prec
use DAMASK_interface
use IO
use debug
use list use list
implicit none implicit none
private private
type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: & type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: &
config_phase, & config_phase, &
config_microstructure, & config_microstructure, &
@ -22,6 +26,7 @@ module config
config_numerics, & config_numerics, &
config_debug config_debug
!ToDo: bad names (how should one know that those variables are defined in config?)
character(len=64), dimension(:), allocatable, public, protected :: & character(len=64), dimension(:), allocatable, public, protected :: &
phase_name, & !< name of each phase phase_name, & !< name of each phase
homogenization_name, & !< name of each homogenization homogenization_name, & !< name of each homogenization
@ -45,19 +50,9 @@ contains
!> @brief reads material.config and stores its content per part !> @brief reads material.config and stores its content per part
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine config_init subroutine config_init
use DAMASK_interface, only: &
getSolverJobName
use IO, only: &
IO_read_ASCII, &
IO_error, &
IO_lc, &
IO_getTag
use debug, only: &
debug_level, &
debug_material, &
debug_levelBasic
integer :: myDebug,i integer :: i
logical :: verbose
character(len=pStringLen) :: & character(len=pStringLen) :: &
line, & line, &
@ -67,7 +62,7 @@ subroutine config_init
write(6,'(/,a)') ' <<<+- config init -+>>>' write(6,'(/,a)') ' <<<+- config init -+>>>'
myDebug = debug_level(debug_material) verbose = iand(debug_level(debug_material),debug_levelBasic) /= 0
inquire(file=trim(getSolverJobName())//'.materialConfig',exist=fileExists) inquire(file=trim(getSolverJobName())//'.materialConfig',exist=fileExists)
if(fileExists) then if(fileExists) then
@ -87,23 +82,23 @@ subroutine config_init
case (trim('phase')) case (trim('phase'))
call parse_materialConfig(phase_name,config_phase,line,fileContent(i+1:)) call parse_materialConfig(phase_name,config_phase,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Phase parsed'; flush(6) if (verbose) write(6,'(a)') ' Phase parsed'; flush(6)
case (trim('microstructure')) case (trim('microstructure'))
call parse_materialConfig(microstructure_name,config_microstructure,line,fileContent(i+1:)) call parse_materialConfig(microstructure_name,config_microstructure,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Microstructure parsed'; flush(6) if (verbose) write(6,'(a)') ' Microstructure parsed'; flush(6)
case (trim('crystallite')) case (trim('crystallite'))
call parse_materialConfig(crystallite_name,config_crystallite,line,fileContent(i+1:)) call parse_materialConfig(crystallite_name,config_crystallite,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Crystallite parsed'; flush(6) if (verbose) write(6,'(a)') ' Crystallite parsed'; flush(6)
case (trim('homogenization')) case (trim('homogenization'))
call parse_materialConfig(homogenization_name,config_homogenization,line,fileContent(i+1:)) call parse_materialConfig(homogenization_name,config_homogenization,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Homogenization parsed'; flush(6) if (verbose) write(6,'(a)') ' Homogenization parsed'; flush(6)
case (trim('texture')) case (trim('texture'))
call parse_materialConfig(texture_name,config_texture,line,fileContent(i+1:)) call parse_materialConfig(texture_name,config_texture,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Texture parsed'; flush(6) if (verbose) write(6,'(a)') ' Texture parsed'; flush(6)
end select end select
@ -141,8 +136,6 @@ contains
!! Recursion is triggered by "{path/to/inputfile}" in a line !! Recursion is triggered by "{path/to/inputfile}" in a line
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
recursive function read_materialConfig(fileName,cnt) result(fileContent) recursive function read_materialConfig(fileName,cnt) result(fileContent)
use IO, only: &
IO_warning
character(len=*), intent(in) :: fileName character(len=*), intent(in) :: fileName
integer, intent(in), optional :: cnt !< recursion counter integer, intent(in), optional :: cnt !< recursion counter
@ -226,9 +219,6 @@ end function read_materialConfig
subroutine parse_materialConfig(sectionNames,part,line, & subroutine parse_materialConfig(sectionNames,part,line, &
fileContent) fileContent)
use IO, only: &
IO_intOut
character(len=64), allocatable, dimension(:), intent(out) :: sectionNames character(len=64), allocatable, dimension(:), intent(out) :: sectionNames
type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
character(len=pStringLen), intent(inout) :: line character(len=pStringLen), intent(inout) :: line
@ -298,8 +288,6 @@ end subroutine config_init
!> @brief deallocates the linked lists that store the content of the configuration files !> @brief deallocates the linked lists that store the content of the configuration files
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine config_deallocate(what) subroutine config_deallocate(what)
use IO, only: &
IO_error
character(len=*), intent(in) :: what character(len=*), intent(in) :: what

328
src/crystallite.f90
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@ -9,36 +9,43 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module crystallite module crystallite
use prec, only: & use prec
pReal, & use IO
pStringLen use config
use rotations, only: & use debug
rotation use numerics
use FEsolving, only: & use rotations
FEsolving_execElem, & use math
FEsolving_execIP use mesh
use material, only: & use FEsolving
homogenization_Ngrains use material
use constitutive
use lattice
use future use future
use plastic_nonlocal
#if defined(PETSc) || defined(DAMASK_HDF5)
use HDF5_utilities
use results
#endif
implicit none implicit none
private private
character(len=64), dimension(:,:), allocatable, private :: & character(len=64), dimension(:,:), allocatable :: &
crystallite_output !< name of each post result output crystallite_output !< name of each post result output
integer, public, protected :: & integer, public, protected :: &
crystallite_maxSizePostResults !< description not available crystallite_maxSizePostResults !< description not available
integer, dimension(:), allocatable, public, protected :: & integer, dimension(:), allocatable, public, protected :: &
crystallite_sizePostResults !< description not available crystallite_sizePostResults !< description not available
integer, dimension(:,:), allocatable, private :: & integer, dimension(:,:), allocatable :: &
crystallite_sizePostResult !< description not available crystallite_sizePostResult !< description not available
real(pReal), dimension(:,:,:), allocatable, public :: & real(pReal), dimension(:,:,:), allocatable, public :: &
crystallite_dt !< requested time increment of each grain crystallite_dt !< requested time increment of each grain
real(pReal), dimension(:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:), allocatable :: &
crystallite_subdt, & !< substepped time increment of each grain crystallite_subdt, & !< substepped time increment of each grain
crystallite_subFrac, & !< already calculated fraction of increment crystallite_subFrac, & !< already calculated fraction of increment
crystallite_subStep !< size of next integration step crystallite_subStep !< size of next integration step
type(rotation), dimension(:,:,:), allocatable, private :: & type(rotation), dimension(:,:,:), allocatable :: &
crystallite_orientation, & !< orientation crystallite_orientation, & !< orientation
crystallite_orientation0 !< initial orientation crystallite_orientation0 !< initial orientation
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
@ -63,7 +70,7 @@ module crystallite
crystallite_Li, & !< current intermediate velocitiy grad (end of converged time step) crystallite_Li, & !< current intermediate velocitiy grad (end of converged time step)
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
crystallite_partionedLi0 !< intermediate velocity grad at start of homog inc crystallite_partionedLi0 !< intermediate velocity grad at start of homog inc
real(pReal), dimension(:,:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:,:), allocatable :: &
crystallite_subS0, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc crystallite_subS0, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step) crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
crystallite_subFp0,& !< plastic def grad at start of crystallite inc crystallite_subFp0,& !< plastic def grad at start of crystallite inc
@ -77,7 +84,7 @@ module crystallite
crystallite_dPdF !< current individual dPdF per grain (end of converged time step) crystallite_dPdF !< current individual dPdF per grain (end of converged time step)
logical, dimension(:,:,:), allocatable, public :: & logical, dimension(:,:,:), allocatable, public :: &
crystallite_requested !< used by upper level (homogenization) to request crystallite calculation crystallite_requested !< used by upper level (homogenization) to request crystallite calculation
logical, dimension(:,:,:), allocatable, private :: & logical, dimension(:,:,:), allocatable :: &
crystallite_converged, & !< convergence flag crystallite_converged, & !< convergence flag
crystallite_todo, & !< flag to indicate need for further computation crystallite_todo, & !< flag to indicate need for further computation
crystallite_localPlasticity !< indicates this grain to have purely local constitutive law crystallite_localPlasticity !< indicates this grain to have purely local constitutive law
@ -101,16 +108,16 @@ module crystallite
neighboringip_ID, & neighboringip_ID, &
neighboringelement_ID neighboringelement_ID
end enum end enum
integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: & integer(kind(undefined_ID)),dimension(:,:), allocatable :: &
crystallite_outputID !< ID of each post result output crystallite_outputID !< ID of each post result output
type, private :: tOutput !< new requested output (per phase) type :: tOutput !< new requested output (per phase)
character(len=65536), allocatable, dimension(:) :: & character(len=65536), allocatable, dimension(:) :: &
label label
end type tOutput end type tOutput
type(tOutput), allocatable, dimension(:), private :: output_constituent type(tOutput), allocatable, dimension(:) :: output_constituent
type, private :: tNumerics type :: tNumerics
integer :: & integer :: &
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
nState, & !< state loop limit nState, & !< state loop limit
@ -138,15 +145,6 @@ module crystallite
crystallite_push33ToRef, & crystallite_push33ToRef, &
crystallite_postResults, & crystallite_postResults, &
crystallite_results crystallite_results
private :: &
integrateStress, &
integrateState, &
integrateStateFPI, &
integrateStateEuler, &
integrateStateAdaptiveEuler, &
integrateStateRK4, &
integrateStateRKCK45, &
stateJump
contains contains
@ -155,39 +153,6 @@ contains
!> @brief allocates and initialize per grain variables !> @brief allocates and initialize per grain variables
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_init subroutine crystallite_init
#ifdef DEBUG
use debug, only: &
debug_info, &
debug_reset, &
debug_level, &
debug_crystallite, &
debug_levelBasic
#endif
use numerics, only: &
numerics_integrator, &
worldrank, &
usePingPong
use math, only: &
math_I3, &
math_EulerToR, &
math_inv33
use mesh, only: &
theMesh, &
mesh_element
use IO, only: &
IO_stringValue, &
IO_write_jobFile, &
IO_error
use material
use config, only: &
config_deallocate, &
config_crystallite, &
config_numerics, &
config_phase, &
crystallite_name
use constitutive, only: &
constitutive_initialFi, &
constitutive_microstructure ! derived (shortcut) quantities of given state
integer, parameter :: FILEUNIT=434 integer, parameter :: FILEUNIT=434
logical, dimension(:,:), allocatable :: devNull logical, dimension(:,:), allocatable :: devNull
@ -478,34 +443,6 @@ end subroutine crystallite_init
!> @brief calculate stress (P) !> @brief calculate stress (P)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC) function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
use prec, only: &
tol_math_check, &
dNeq0
#ifdef DEBUG
use debug, only: &
debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g
#endif
use IO, only: &
IO_warning, &
IO_error
use math, only: &
math_inv33
use mesh, only: &
theMesh, &
mesh_element
use material, only: &
homogenization_Ngrains, &
plasticState, &
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
logical, dimension(theMesh%elem%nIPs,theMesh%Nelems) :: crystallite_stress logical, dimension(theMesh%elem%nIPs,theMesh%Nelems) :: crystallite_stress
real(pReal), intent(in), optional :: & real(pReal), intent(in), optional :: &
@ -746,30 +683,6 @@ end function crystallite_stress
!> @brief calculate tangent (dPdF) !> @brief calculate tangent (dPdF)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_stressTangent subroutine crystallite_stressTangent
use prec, only: &
tol_math_check, &
dNeq0
use IO, only: &
IO_warning, &
IO_error
use math, only: &
math_inv33, &
math_identity2nd, &
math_3333to99, &
math_99to3333, &
math_I3, &
math_mul3333xx3333, &
math_mul33xx33, &
math_invert2, &
math_det33
use mesh, only: &
mesh_element
use material, only: &
homogenization_Ngrains
use constitutive, only: &
constitutive_SandItsTangents, &
constitutive_LpAndItsTangents, &
constitutive_LiAndItsTangents
integer :: & integer :: &
c, & !< counter in integration point component loop c, & !< counter in integration point component loop
@ -910,19 +823,6 @@ end subroutine crystallite_stressTangent
!> @brief calculates orientations !> @brief calculates orientations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_orientations subroutine crystallite_orientations
use math, only: &
math_rotationalPart33, &
math_RtoQ
use material, only: &
plasticState, &
material_phase, &
homogenization_Ngrains
use mesh, only: &
mesh_element
use lattice, only: &
lattice_qDisorientation
use plastic_nonlocal, only: &
plastic_nonlocal_updateCompatibility
integer & integer &
c, & !< counter in integration point component loop c, & !< counter in integration point component loop
@ -979,28 +879,6 @@ end function crystallite_push33ToRef
!> @brief return results of particular grain !> @brief return results of particular grain
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function crystallite_postResults(ipc, ip, el) function crystallite_postResults(ipc, ip, el)
use math, only: &
math_det33, &
math_I3, &
inDeg
use mesh, only: &
theMesh, &
mesh_element, &
mesh_ipVolume, &
mesh_ipNeighborhood
use material, only: &
plasticState, &
sourceState, &
microstructure_crystallite, &
crystallite_Noutput, &
material_phase, &
material_texture, &
homogenization_Ngrains
use constitutive, only: &
constitutive_homogenizedC, &
constitutive_postResults
use rotations, only: &
rotation
integer, intent(in):: & integer, intent(in):: &
el, & !< element index el, & !< element index
@ -1118,16 +996,9 @@ end function crystallite_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_results subroutine crystallite_results
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
use lattice
use results
use HDF5_utilities
use rotations
use config, only: & use config, only: &
config_name_phase => phase_name ! anticipate logical name config_name_phase => phase_name ! anticipate logical name
use material, only: &
material_phase_plasticity_type => phase_plasticity
integer :: p,o integer :: p,o
real(pReal), allocatable, dimension(:,:,:) :: selected_tensors real(pReal), allocatable, dimension(:,:,:) :: selected_tensors
type(rotation), allocatable, dimension(:) :: selected_rotations type(rotation), allocatable, dimension(:) :: selected_rotations
@ -1267,33 +1138,6 @@ end subroutine crystallite_results
!> intermediate acceleration of the Newton-Raphson correction !> intermediate acceleration of the Newton-Raphson correction
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical function integrateStress(ipc,ip,el,timeFraction) logical function integrateStress(ipc,ip,el,timeFraction)
use, intrinsic :: &
IEEE_arithmetic
use prec, only: tol_math_check, &
dEq0
#ifdef DEBUG
use debug, only: debug_level, &
debug_e, &
debug_i, &
debug_g, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective
#endif
use constitutive, only: constitutive_LpAndItsTangents, &
constitutive_LiAndItsTangents, &
constitutive_SandItsTangents
use math, only: math_mul33xx33, &
math_mul3333xx3333, &
math_inv33, &
math_det33, &
math_I3, &
math_identity2nd, &
math_3333to99, &
math_33to9, &
math_9to33
integer, intent(in):: el, & ! element index integer, intent(in):: el, & ! element index
ip, & ! integration point index ip, & ! integration point index
@ -1693,27 +1537,6 @@ end function integrateStress
!> using Fixed Point Iteration to adapt the stepsize !> using Fixed Point Iteration to adapt the stepsize
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateFPI subroutine integrateStateFPI
#ifdef DEBUG
use debug, only: debug_level, &
debug_e, &
debug_i, &
debug_g, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective
#endif
use mesh, only: &
mesh_element
use material, only: &
plasticState, &
sourceState, &
phaseAt, phasememberAt, &
phase_Nsources, &
homogenization_Ngrains
use constitutive, only: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
integer :: & integer :: &
NiterationState, & !< number of iterations in state loop NiterationState, & !< number of iterations in state loop
@ -1901,8 +1724,6 @@ end subroutine integrateStateFPI
!> @brief integrate state with 1st order explicit Euler method !> @brief integrate state with 1st order explicit Euler method
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateEuler subroutine integrateStateEuler
use material, only: &
plasticState
call update_dotState(1.0_pReal) call update_dotState(1.0_pReal)
call update_state(1.0_pReal) call update_state(1.0_pReal)
@ -1919,19 +1740,6 @@ end subroutine integrateStateEuler
!> @brief integrate stress, state with 1st order Euler method with adaptive step size !> @brief integrate stress, state with 1st order Euler method with adaptive step size
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateAdaptiveEuler subroutine integrateStateAdaptiveEuler
use mesh, only: &
theMesh, &
mesh_element
use material, only: &
homogenization_Ngrains, &
plasticState, &
sourceState, &
phaseAt, phasememberAt, &
phase_Nsources, &
homogenization_maxNgrains
use constitutive, only: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
integer :: & integer :: &
e, & ! element index in element loop e, & ! element index in element loop
@ -2025,14 +1833,6 @@ end subroutine integrateStateAdaptiveEuler
! ToDo: This is totally BROKEN: RK4dotState is never used!!! ! ToDo: This is totally BROKEN: RK4dotState is never used!!!
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRK4 subroutine integrateStateRK4
use mesh, only: &
mesh_element
use material, only: &
homogenization_Ngrains, &
plasticState, &
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
real(pReal), dimension(4), parameter :: & real(pReal), dimension(4), parameter :: &
TIMESTEPFRACTION = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration TIMESTEPFRACTION = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration
@ -2092,19 +1892,6 @@ end subroutine integrateStateRK4
!> adaptive step size (use 5th order solution to advance = "local extrapolation") !> adaptive step size (use 5th order solution to advance = "local extrapolation")
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRKCK45 subroutine integrateStateRKCK45
use mesh, only: &
mesh_element, &
theMesh
use material, only: &
homogenization_Ngrains, &
plasticState, &
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt, &
homogenization_maxNgrains
use constitutive, only: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
real(pReal), dimension(5,5), parameter :: & real(pReal), dimension(5,5), parameter :: &
A = reshape([& A = reshape([&
@ -2287,8 +2074,6 @@ end subroutine nonlocalConvergenceCheck
!> @details: For explicitEuler, RK4 and RKCK45, adaptive Euler and FPI have their on criteria !> @details: For explicitEuler, RK4 and RKCK45, adaptive Euler and FPI have their on criteria
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine setConvergenceFlag subroutine setConvergenceFlag
use mesh, only: &
mesh_element
integer :: & integer :: &
e, & !< element index in element loop e, & !< element index in element loop
@ -2327,8 +2112,6 @@ end subroutine setConvergenceFlag
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t) !> @brief Standard forwarding of state as state = state0 + dotState * (delta t)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine update_stress(timeFraction) subroutine update_stress(timeFraction)
use mesh, only: &
mesh_element
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeFraction timeFraction
@ -2360,8 +2143,6 @@ end subroutine update_stress
!> @brief tbd !> @brief tbd
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine update_dependentState subroutine update_dependentState
use mesh, only: &
mesh_element
use constitutive, only: & use constitutive, only: &
constitutive_dependentState => constitutive_microstructure constitutive_dependentState => constitutive_microstructure
@ -2387,13 +2168,6 @@ end subroutine update_dependentState
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t) !> @brief Standard forwarding of state as state = state0 + dotState * (delta t)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine update_state(timeFraction) subroutine update_state(timeFraction)
use material, only: &
plasticState, &
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
use mesh, only: &
mesh_element
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeFraction timeFraction
@ -2435,17 +2209,6 @@ end subroutine update_state
!> if NaN occurs, crystallite_todo is set to FALSE. Any NaN in a nonlocal propagates to all others !> if NaN occurs, crystallite_todo is set to FALSE. Any NaN in a nonlocal propagates to all others
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine update_dotState(timeFraction) subroutine update_dotState(timeFraction)
use, intrinsic :: &
IEEE_arithmetic
use material, only: &
plasticState, &
sourceState, &
phaseAt, phasememberAt, &
phase_Nsources
use mesh, only: &
mesh_element
use constitutive, only: &
constitutive_collectDotState
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeFraction timeFraction
@ -2492,19 +2255,7 @@ end subroutine update_DotState
subroutine update_deltaState subroutine update_deltaState
use, intrinsic :: &
IEEE_arithmetic
use prec, only: &
dNeq0
use mesh, only: &
mesh_element
use material, only: &
plasticState, &
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
use constitutive, only: &
constitutive_collectDeltaState
integer :: & integer :: &
e, & !< element index in element loop e, & !< element index in element loop
i, & !< integration point index in ip loop i, & !< integration point index in ip loop
@ -2569,29 +2320,6 @@ end subroutine update_deltaState
!> returns true, if state jump was successfull or not needed. false indicates NaN in delta state !> returns true, if state jump was successfull or not needed. false indicates NaN in delta state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical function stateJump(ipc,ip,el) logical function stateJump(ipc,ip,el)
use, intrinsic :: &
IEEE_arithmetic
use prec, only: &
dNeq0
#ifdef DEBUG
use debug, only: &
debug_e, &
debug_i, &
debug_g, &
debug_level, &
debug_crystallite, &
debug_levelExtensive, &
debug_levelSelective
#endif
use material, only: &
plasticState, &
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
use mesh, only: &
mesh_element
use constitutive, only: &
constitutive_collectDeltaState
integer, intent(in):: & integer, intent(in):: &
el, & ! element index el, & ! element index

57
src/damage_local.f90
View File

@ -4,9 +4,13 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module damage_local module damage_local
use prec use prec
use material
use numerics
use config
implicit none implicit none
private private
integer, dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
damage_local_sizePostResult !< size of each post result output damage_local_sizePostResult !< size of each post result output
@ -20,23 +24,22 @@ module damage_local
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
damage_ID damage_ID
end enum end enum
integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & integer(kind(undefined_ID)), dimension(:,:), allocatable :: &
damage_local_outputID !< ID of each post result output damage_local_outputID !< ID of each post result output
type, private :: tParameters type :: tParameters
integer(kind(undefined_ID)), dimension(:), allocatable :: & integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID outputID
end type tParameters end type tParameters
type(tparameters), dimension(:), allocatable, private :: & type(tparameters), dimension(:), allocatable :: &
param param
public :: & public :: &
damage_local_init, & damage_local_init, &
damage_local_updateState, & damage_local_updateState, &
damage_local_postResults damage_local_postResults
private :: &
damage_local_getSourceAndItsTangent
contains contains
@ -45,23 +48,8 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_local_init subroutine damage_local_init
use material, only: &
damage_type, &
damage_typeInstance, &
homogenization_Noutput, &
DAMAGE_local_label, &
DAMAGE_local_ID, &
material_homogenizationAt, &
mappingHomogenization, &
damageState, &
damageMapping, &
damage, &
damage_initialPhi
use config, only: &
config_homogenization
integer :: maxNinstance,homog,instance,i
integer :: maxNinstance,homog,instance,o,i
integer :: sizeState integer :: sizeState
integer :: NofMyHomog, h integer :: NofMyHomog, h
integer(kind(undefined_ID)) :: & integer(kind(undefined_ID)) :: &
@ -72,7 +60,7 @@ subroutine damage_local_init
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>' write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'
maxNinstance = int(count(damage_type == DAMAGE_local_ID),pInt) maxNinstance = count(damage_type == DAMAGE_local_ID)
if (maxNinstance == 0) return if (maxNinstance == 0) return
allocate(damage_local_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0) allocate(damage_local_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0)
@ -135,14 +123,6 @@ end subroutine damage_local_init
!> @brief calculates local change in damage field !> @brief calculates local change in damage field
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function damage_local_updateState(subdt, ip, el) function damage_local_updateState(subdt, ip, el)
use numerics, only: &
residualStiffness, &
err_damage_tolAbs, &
err_damage_tolRel
use material, only: &
material_homogenizationAt, &
mappingHomogenization, &
damageState
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -177,17 +157,6 @@ end function damage_local_updateState
!> @brief calculates homogenized local damage driving forces !> @brief calculates homogenized local damage driving forces
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el) subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
use material, only: &
homogenization_Ngrains, &
material_homogenizationAt, &
phaseAt, &
phasememberAt, &
phase_source, &
phase_Nsources, &
SOURCE_damage_isoBrittle_ID, &
SOURCE_damage_isoDuctile_ID, &
SOURCE_damage_anisoBrittle_ID, &
SOURCE_damage_anisoDuctile_ID
use source_damage_isoBrittle, only: & use source_damage_isoBrittle, only: &
source_damage_isobrittle_getRateAndItsTangent source_damage_isobrittle_getRateAndItsTangent
use source_damage_isoDuctile, only: & use source_damage_isoDuctile, only: &
@ -244,15 +213,11 @@ subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el
end subroutine damage_local_getSourceAndItsTangent end subroutine damage_local_getSourceAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return array of damage results !> @brief return array of damage results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function damage_local_postResults(ip,el) function damage_local_postResults(ip,el)
use material, only: &
material_homogenizationAt, &
damage_typeInstance, &
damageMapping, &
damage
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point ip, & !< integration point

14
src/damage_none.f90
View File

@ -3,6 +3,8 @@
!> @brief material subroutine for constant damage field !> @brief material subroutine for constant damage field
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module damage_none module damage_none
use config
use material
implicit none implicit none
private private
@ -15,17 +17,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_none_init() subroutine damage_none_init
use config, only: &
config_homogenization
use material, only: &
damage_initialPhi, &
damage, &
damage_type, &
material_homogenizationAt, &
damageState, &
DAMAGE_NONE_LABEL, &
DAMAGE_NONE_ID
integer :: & integer :: &
homog, & homog, &

82
src/damage_nonlocal.f90
View File

@ -5,9 +5,20 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module damage_nonlocal module damage_nonlocal
use prec use prec
use material
use numerics
use config
use crystallite
use lattice
use mesh
use source_damage_isoBrittle
use source_damage_isoDuctile
use source_damage_anisoBrittle
use source_damage_anisoDuctile
implicit none implicit none
private private
integer, dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
damage_nonlocal_sizePostResult !< size of each post result output damage_nonlocal_sizePostResult !< size of each post result output
@ -22,12 +33,12 @@ module damage_nonlocal
damage_ID damage_ID
end enum end enum
type, private :: tParameters type :: tParameters
integer(kind(undefined_ID)), dimension(:), allocatable :: & integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID outputID
end type tParameters end type tParameters
type(tparameters), dimension(:), allocatable, private :: & type(tparameters), dimension(:), allocatable :: &
param param
public :: & public :: &
@ -45,21 +56,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_init subroutine damage_nonlocal_init
use material, only: &
damage_type, &
damage_typeInstance, &
homogenization_Noutput, &
DAMAGE_nonlocal_label, &
DAMAGE_nonlocal_ID, &
material_homogenizationAt, &
mappingHomogenization, &
damageState, &
damageMapping, &
damage, &
damage_initialPhi
use config, only: &
config_homogenization
integer :: maxNinstance,homog,instance,o,i integer :: maxNinstance,homog,instance,o,i
integer :: sizeState integer :: sizeState
@ -72,7 +68,7 @@ subroutine damage_nonlocal_init
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>' write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'
maxNinstance = int(count(damage_type == DAMAGE_nonlocal_ID)) maxNinstance = count(damage_type == DAMAGE_nonlocal_ID)
if (maxNinstance == 0) return if (maxNinstance == 0) return
allocate(damage_nonlocal_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0) allocate(damage_nonlocal_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0)
@ -127,29 +123,11 @@ subroutine damage_nonlocal_init
enddo enddo
end subroutine damage_nonlocal_init end subroutine damage_nonlocal_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates homogenized damage driving forces !> @brief calculates homogenized damage driving forces
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el) subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
use material, only: &
homogenization_Ngrains, &
material_homogenizationAt, &
phaseAt, &
phasememberAt, &
phase_source, &
phase_Nsources, &
SOURCE_damage_isoBrittle_ID, &
SOURCE_damage_isoDuctile_ID, &
SOURCE_damage_anisoBrittle_ID, &
SOURCE_damage_anisoDuctile_ID
use source_damage_isoBrittle, only: &
source_damage_isobrittle_getRateAndItsTangent
use source_damage_isoDuctile, only: &
source_damage_isoductile_getRateAndItsTangent
use source_damage_anisoBrittle, only: &
source_damage_anisobrittle_getRateAndItsTangent
use source_damage_anisoDuctile, only: &
source_damage_anisoductile_getRateAndItsTangent
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -198,20 +176,11 @@ subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip,
end subroutine damage_nonlocal_getSourceAndItsTangent end subroutine damage_nonlocal_getSourceAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns homogenized non local damage diffusion tensor in reference configuration !> @brief returns homogenized non local damage diffusion tensor in reference configuration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function damage_nonlocal_getDiffusion33(ip,el) function damage_nonlocal_getDiffusion33(ip,el)
use numerics, only: &
charLength
use lattice, only: &
lattice_DamageDiffusion33
use material, only: &
homogenization_Ngrains, &
material_phase, &
material_homogenizationAt
use crystallite, only: &
crystallite_push33ToRef
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -234,17 +203,11 @@ function damage_nonlocal_getDiffusion33(ip,el)
end function damage_nonlocal_getDiffusion33 end function damage_nonlocal_getDiffusion33
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Returns homogenized nonlocal damage mobility !> @brief Returns homogenized nonlocal damage mobility
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
real(pReal) function damage_nonlocal_getMobility(ip,el) real(pReal) function damage_nonlocal_getMobility(ip,el)
use mesh, only: &
mesh_element
use lattice, only: &
lattice_damageMobility
use material, only: &
material_phase, &
homogenization_Ngrains
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -263,14 +226,11 @@ real(pReal) function damage_nonlocal_getMobility(ip,el)
end function damage_nonlocal_getMobility end function damage_nonlocal_getMobility
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief updated nonlocal damage field with solution from damage phase field PDE !> @brief updated nonlocal damage field with solution from damage phase field PDE
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_putNonLocalDamage(phi,ip,el) subroutine damage_nonlocal_putNonLocalDamage(phi,ip,el)
use material, only: &
material_homogenizationAt, &
damageMapping, &
damage
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -287,15 +247,11 @@ subroutine damage_nonlocal_putNonLocalDamage(phi,ip,el)
end subroutine damage_nonlocal_putNonLocalDamage end subroutine damage_nonlocal_putNonLocalDamage
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return array of damage results !> @brief return array of damage results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function damage_nonlocal_postResults(ip,el) function damage_nonlocal_postResults(ip,el)
use material, only: &
material_homogenizationAt, &
damage_typeInstance, &
damageMapping, &
damage
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point ip, & !< integration point

22
src/debug.f90
View File

@ -6,12 +6,12 @@
!> @brief Reading in and interpretating the debugging settings for the various modules !> @brief Reading in and interpretating the debugging settings for the various modules
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module debug module debug
use prec, only: & use prec
pInt, & use IO
pReal
implicit none implicit none
private private
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
debug_LEVELSELECTIVE = 2_pInt**0_pInt, & debug_LEVELSELECTIVE = 2_pInt**0_pInt, &
debug_LEVELBASIC = 2_pInt**1_pInt, & debug_LEVELBASIC = 2_pInt**1_pInt, &
@ -78,19 +78,7 @@ contains
!> @brief reads in parameters from debug.config and allocates arrays !> @brief reads in parameters from debug.config and allocates arrays
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine debug_init subroutine debug_init
use prec, only: &
pStringLen
use IO, only: &
IO_read_ASCII, &
IO_error, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_lc, &
IO_floatValue, &
IO_intValue
implicit none
character(len=pStringLen), dimension(:), allocatable :: fileContent character(len=pStringLen), dimension(:), allocatable :: fileContent
integer :: i, what, j integer :: i, what, j
@ -253,8 +241,6 @@ end subroutine debug_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine debug_reset subroutine debug_reset
implicit none
debug_stressMaxLocation = 0_pInt debug_stressMaxLocation = 0_pInt
debug_stressMinLocation = 0_pInt debug_stressMinLocation = 0_pInt
debug_jacobianMaxLocation = 0_pInt debug_jacobianMaxLocation = 0_pInt
@ -272,8 +258,6 @@ end subroutine debug_reset
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine debug_info subroutine debug_info
implicit none
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 & debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 &
.and. any(debug_stressMinLocation /= 0_pInt) & .and. any(debug_stressMinLocation /= 0_pInt) &

24
src/homogenization.f90
View File

@ -16,6 +16,12 @@ module homogenization
use crystallite use crystallite
use mesh use mesh
use FEsolving use FEsolving
use thermal_isothermal
use thermal_adiabatic
use thermal_conduction
use damage_none
use damage_local
use damage_nonlocal
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
use results use results
use HDF5_utilities use HDF5_utilities
@ -131,12 +137,6 @@ contains
!> @brief module initialization !> @brief module initialization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_init subroutine homogenization_init
use thermal_isothermal
use thermal_adiabatic
use thermal_conduction
use damage_none
use damage_local
use damage_nonlocal
integer, parameter :: FILEUNIT = 200 integer, parameter :: FILEUNIT = 200
integer :: e,i,p integer :: e,i,p
@ -668,10 +668,6 @@ end subroutine partitionDeformation
!> "happy" with result !> "happy" with result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function updateState(ip,el) function updateState(ip,el)
use thermal_adiabatic, only: &
thermal_adiabatic_updateState
use damage_local, only: &
damage_local_updateState
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point ip, & !< integration point
@ -753,14 +749,6 @@ end subroutine averageStressAndItsTangent
!> if homogenization_sizePostResults(i,e) > 0 !! !> if homogenization_sizePostResults(i,e) > 0 !!
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function postResults(ip,el) function postResults(ip,el)
use thermal_adiabatic, only: &
thermal_adiabatic_postResults
use thermal_conduction, only: &
thermal_conduction_postResults
use damage_local, only: &
damage_local_postResults
use damage_nonlocal, only: &
damage_nonlocal_postResults
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point ip, & !< integration point

51
src/kinematics_cleavage_opening.f90
View File

@ -6,12 +6,19 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module kinematics_cleavage_opening module kinematics_cleavage_opening
use prec use prec
use IO
use config
use debug
use math
use lattice
use material
implicit none implicit none
private private
integer, dimension(:), allocatable, private :: kinematics_cleavage_opening_instance
type, private :: tParameters !< container type for internal constitutive parameters integer, dimension(:), allocatable :: kinematics_cleavage_opening_instance
type :: tParameters !< container type for internal constitutive parameters
integer :: & integer :: &
totalNcleavage totalNcleavage
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
@ -25,17 +32,17 @@ module kinematics_cleavage_opening
end type end type
! Begin Deprecated ! Begin Deprecated
integer, dimension(:), allocatable, private :: & integer, dimension(:), allocatable :: &
kinematics_cleavage_opening_totalNcleavage !< total number of cleavage systems kinematics_cleavage_opening_totalNcleavage !< total number of cleavage systems
integer, dimension(:,:), allocatable, private :: & integer, dimension(:,:), allocatable :: &
kinematics_cleavage_opening_Ncleavage !< number of cleavage systems per family kinematics_cleavage_opening_Ncleavage !< number of cleavage systems per family
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable :: &
kinematics_cleavage_opening_sdot_0, & kinematics_cleavage_opening_sdot_0, &
kinematics_cleavage_opening_N kinematics_cleavage_opening_N
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable :: &
kinematics_cleavage_opening_critDisp, & kinematics_cleavage_opening_critDisp, &
kinematics_cleavage_opening_critLoad kinematics_cleavage_opening_critLoad
! End Deprecated ! End Deprecated
@ -51,31 +58,16 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_cleavage_opening_init() subroutine kinematics_cleavage_opening_init
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use config, only: &
config_phase
use IO, only: &
IO_error
use material, only: &
phase_kinematics, &
KINEMATICS_cleavage_opening_label, &
KINEMATICS_cleavage_opening_ID
use lattice, only: &
lattice_maxNcleavageFamily, &
lattice_NcleavageSystem
integer, allocatable, dimension(:) :: tempInt integer, allocatable, dimension(:) :: tempInt
real(pReal), allocatable, dimension(:) :: tempFloat real(pReal), allocatable, dimension(:) :: tempFloat
integer :: maxNinstance,p,instance,kinematics integer :: maxNinstance,p,instance
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'
maxNinstance = int(count(phase_kinematics == KINEMATICS_cleavage_opening_ID)) maxNinstance = count(phase_kinematics == KINEMATICS_cleavage_opening_ID)
if (maxNinstance == 0) return if (maxNinstance == 0) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
@ -127,17 +119,6 @@ end subroutine kinematics_cleavage_opening_init
!> @brief contains the constitutive equation for calculating the velocity gradient !> @brief contains the constitutive equation for calculating the velocity gradient
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el) subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el)
use math, only: &
math_mul33xx33
use material, only: &
material_phase, &
material_homogenizationAt, &
damage, &
damageMapping
use lattice, only: &
lattice_Scleavage, &
lattice_maxNcleavageFamily, &
lattice_NcleavageSystem
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< grain number ipc, & !< grain number

42
src/kinematics_slipplane_opening.f90
View File

@ -6,12 +6,19 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module kinematics_slipplane_opening module kinematics_slipplane_opening
use prec use prec
use config
use IO
use debug
use math
use lattice
use material
implicit none implicit none
private private
integer, dimension(:), allocatable, private :: kinematics_slipplane_opening_instance
type, private :: tParameters !< container type for internal constitutive parameters integer, dimension(:), allocatable :: kinematics_slipplane_opening_instance
type :: tParameters !< container type for internal constitutive parameters
integer :: & integer :: &
totalNslip totalNslip
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
@ -27,7 +34,8 @@ module kinematics_slipplane_opening
slip_transverse slip_transverse
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: & public :: &
kinematics_slipplane_opening_init, & kinematics_slipplane_opening_init, &
kinematics_slipplane_opening_LiAndItsTangent kinematics_slipplane_opening_LiAndItsTangent
@ -39,25 +47,9 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_init() subroutine kinematics_slipplane_opening_init
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use config, only: &
config_phase
use IO, only: &
IO_error
use math, only: &
math_expand
use material, only: &
phase_kinematics, &
KINEMATICS_slipplane_opening_label, &
KINEMATICS_slipplane_opening_ID
use lattice
integer :: maxNinstance,p,instance
integer :: maxNinstance,p,instance,kinematics
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'
@ -111,14 +103,6 @@ end subroutine kinematics_slipplane_opening_init
!> @brief contains the constitutive equation for calculating the velocity gradient !> @brief contains the constitutive equation for calculating the velocity gradient
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el) subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el)
use math, only: &
math_mul33xx33, &
math_outer
use material, only: &
material_phase, &
material_homogenizationAt, &
damage, &
damageMapping
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< grain number ipc, & !< grain number

48
src/kinematics_thermal_expansion.f90
View File

@ -5,11 +5,17 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module kinematics_thermal_expansion module kinematics_thermal_expansion
use prec use prec
use IO
use config
use debug
use math
use lattice
use material
implicit none implicit none
private private
type, private :: tParameters type :: tParameters
real(pReal), allocatable, dimension(:,:,:) :: & real(pReal), allocatable, dimension(:,:,:) :: &
expansion expansion
end type tParameters end type tParameters
@ -28,19 +34,9 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_init() subroutine kinematics_thermal_expansion_init
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use material, only: &
phase_kinematics, &
KINEMATICS_thermal_expansion_label, &
KINEMATICS_thermal_expansion_ID
use config, only: &
config_phase
integer(pInt) :: & integer :: &
Ninstance, & Ninstance, &
p, i p, i
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
@ -48,14 +44,14 @@ subroutine kinematics_thermal_expansion_init()
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'
Ninstance = int(count(phase_kinematics == KINEMATICS_thermal_expansion_ID),pInt) Ninstance = count(phase_kinematics == KINEMATICS_thermal_expansion_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(param(Ninstance)) allocate(param(Ninstance))
do p = 1_pInt, size(phase_kinematics) do p = 1, size(phase_kinematics)
if (all(phase_kinematics(:,p) /= KINEMATICS_thermal_expansion_ID)) cycle if (all(phase_kinematics(:,p) /= KINEMATICS_thermal_expansion_ID)) cycle
! ToDo: Here we need to decide how to extend the concept of instances to ! ToDo: Here we need to decide how to extend the concept of instances to
@ -78,13 +74,8 @@ end subroutine kinematics_thermal_expansion_init
!> @brief report initial thermal strain based on current temperature deviation from reference !> @brief report initial thermal strain based on current temperature deviation from reference
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function kinematics_thermal_expansion_initialStrain(homog,phase,offset) pure function kinematics_thermal_expansion_initialStrain(homog,phase,offset)
use material, only: &
temperature
use lattice, only: &
lattice_thermalExpansion33, &
lattice_referenceTemperature
integer(pInt), intent(in) :: & integer, intent(in) :: &
phase, & phase, &
homog, offset homog, offset
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
@ -106,17 +97,8 @@ end function kinematics_thermal_expansion_initialStrain
!> @brief contains the constitutive equation for calculating the velocity gradient !> @brief contains the constitutive equation for calculating the velocity gradient
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip, el) subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip, el)
use material, only: &
material_phase, &
material_homogenizationAt, &
temperature, &
temperatureRate, &
thermalMapping
use lattice, only: &
lattice_thermalExpansion33, &
lattice_referenceTemperature
integer(pInt), intent(in) :: & integer, intent(in) :: &
ipc, & !< grain number ipc, & !< grain number
ip, & !< integration point number ip, & !< integration point number
el !< element number el !< element number
@ -124,7 +106,7 @@ subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip,
Li !< thermal velocity gradient Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: & real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero) dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
integer(pInt) :: & integer :: &
phase, & phase, &
homog, offset homog, offset
real(pReal) :: & real(pReal) :: &

200
src/lattice.f90
View File

@ -7,8 +7,10 @@
! and cleavage as well as interaction among the various systems ! and cleavage as well as interaction among the various systems
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module lattice module lattice
use prec, only: & use prec
pReal use IO
use config
use math
use future use future
implicit none implicit none
@ -28,25 +30,25 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! face centered cubic ! face centered cubic
integer, dimension(2), parameter, private :: & integer, dimension(2), parameter :: &
LATTICE_FCC_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for fcc LATTICE_FCC_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for fcc
integer, dimension(1), parameter, private :: & integer, dimension(1), parameter :: &
LATTICE_FCC_NTWINSYSTEM = [12] !< # of twin systems per family for fcc LATTICE_FCC_NTWINSYSTEM = [12] !< # of twin systems per family for fcc
integer, dimension(1), parameter, private :: & integer, dimension(1), parameter :: &
LATTICE_FCC_NTRANSSYSTEM = [12] !< # of transformation systems per family for fcc LATTICE_FCC_NTRANSSYSTEM = [12] !< # of transformation systems per family for fcc
integer, dimension(2), parameter, private :: & integer, dimension(2), parameter :: &
LATTICE_FCC_NCLEAVAGESYSTEM = [3, 4] !< # of cleavage systems per family for fcc LATTICE_FCC_NCLEAVAGESYSTEM = [3, 4] !< # of cleavage systems per family for fcc
integer, parameter, private :: & integer, parameter :: &
LATTICE_FCC_NSLIP = sum(LATTICE_FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc LATTICE_FCC_NSLIP = sum(LATTICE_FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc
LATTICE_FCC_NTWIN = sum(LATTICE_FCC_NTWINSYSTEM), & !< total # of twin systems for fcc LATTICE_FCC_NTWIN = sum(LATTICE_FCC_NTWINSYSTEM), & !< total # of twin systems for fcc
LATTICE_FCC_NTRANS = sum(LATTICE_FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc LATTICE_FCC_NTRANS = sum(LATTICE_FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc
LATTICE_FCC_NCLEAVAGE = sum(LATTICE_FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc LATTICE_FCC_NCLEAVAGE = sum(LATTICE_FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc
real(pReal), dimension(3+3,LATTICE_FCC_NSLIP), parameter, private :: & real(pReal), dimension(3+3,LATTICE_FCC_NSLIP), parameter :: &
LATTICE_FCC_SYSTEMSLIP = reshape(real([& LATTICE_FCC_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! SCHMID-BOAS notation ! Slip direction Plane normal ! SCHMID-BOAS notation
0, 1,-1, 1, 1, 1, & ! B2 0, 1,-1, 1, 1, 1, & ! B2
@ -70,11 +72,11 @@ module lattice
0, 1,-1, 0, 1, 1 & 0, 1,-1, 0, 1, 1 &
],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli ],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
character(len=*), dimension(2), parameter, private :: LATTICE_FCC_SLIPFAMILY_NAME = & character(len=*), dimension(2), parameter :: LATTICE_FCC_SLIPFAMILY_NAME = &
['<0 1 -1>{1 1 1}', & ['<0 1 -1>{1 1 1}', &
'<0 1 -1>{0 1 1}'] '<0 1 -1>{0 1 1}']
real(pReal), dimension(3+3,LATTICE_FCC_NTWIN), parameter, private :: & real(pReal), dimension(3+3,LATTICE_FCC_NTWIN), parameter :: &
LATTICE_FCC_SYSTEMTWIN = reshape(real( [& LATTICE_FCC_SYSTEMTWIN = reshape(real( [&
-2, 1, 1, 1, 1, 1, & -2, 1, 1, 1, 1, 1, &
1,-2, 1, 1, 1, 1, & 1,-2, 1, 1, 1, 1, &
@ -90,7 +92,7 @@ module lattice
-1, 1, 2, -1, 1,-1 & -1, 1, 2, -1, 1,-1 &
],pReal),shape(LATTICE_FCC_SYSTEMTWIN)) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli ],pReal),shape(LATTICE_FCC_SYSTEMTWIN)) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
character(len=*), dimension(1), parameter, private :: LATTICE_FCC_TWINFAMILY_NAME = & character(len=*), dimension(1), parameter :: LATTICE_FCC_TWINFAMILY_NAME = &
['<-2 1 1>{1 1 1}'] ['<-2 1 1>{1 1 1}']
@ -110,7 +112,7 @@ module lattice
10,11 & 10,11 &
],shape(LATTICE_FCC_TWINNUCLEATIONSLIPPAIR)) ],shape(LATTICE_FCC_TWINNUCLEATIONSLIPPAIR))
real(pReal), dimension(3+3,LATTICE_FCC_NCLEAVAGE), parameter, private :: & real(pReal), dimension(3+3,LATTICE_FCC_NCLEAVAGE), parameter :: &
LATTICE_FCC_SYSTEMCLEAVAGE = reshape(real([& LATTICE_FCC_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
@ -124,21 +126,21 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! body centered cubic ! body centered cubic
integer, dimension(2), parameter, private :: & integer, dimension(2), parameter :: &
LATTICE_BCC_NSLIPSYSTEM = [12, 12] !< # of slip systems per family for bcc LATTICE_BCC_NSLIPSYSTEM = [12, 12] !< # of slip systems per family for bcc
integer, dimension(1), parameter, private :: & integer, dimension(1), parameter :: &
LATTICE_BCC_NTWINSYSTEM = [12] !< # of twin systems per family for bcc LATTICE_BCC_NTWINSYSTEM = [12] !< # of twin systems per family for bcc
integer, dimension(2), parameter, private :: & integer, dimension(2), parameter :: &
LATTICE_BCC_NCLEAVAGESYSTEM = [3, 6] !< # of cleavage systems per family for bcc LATTICE_BCC_NCLEAVAGESYSTEM = [3, 6] !< # of cleavage systems per family for bcc
integer, parameter, private :: & integer, parameter :: &
LATTICE_BCC_NSLIP = sum(LATTICE_BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc LATTICE_BCC_NSLIP = sum(LATTICE_BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc
LATTICE_BCC_NTWIN = sum(LATTICE_BCC_NTWINSYSTEM), & !< total # of twin systems for bcc LATTICE_BCC_NTWIN = sum(LATTICE_BCC_NTWINSYSTEM), & !< total # of twin systems for bcc
LATTICE_BCC_NCLEAVAGE = sum(LATTICE_BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc LATTICE_BCC_NCLEAVAGE = sum(LATTICE_BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc
real(pReal), dimension(3+3,LATTICE_BCC_NSLIP), parameter, private :: & real(pReal), dimension(3+3,LATTICE_BCC_NSLIP), parameter :: &
LATTICE_BCC_SYSTEMSLIP = reshape(real([& LATTICE_BCC_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Slip system <111>{110} ! Slip system <111>{110}
@ -169,11 +171,11 @@ module lattice
1, 1, 1, 1, 1,-2 & 1, 1, 1, 1, 1,-2 &
],pReal),shape(LATTICE_BCC_SYSTEMSLIP)) ],pReal),shape(LATTICE_BCC_SYSTEMSLIP))
character(len=*), dimension(2), parameter, private :: LATTICE_BCC_SLIPFAMILY_NAME = & character(len=*), dimension(2), parameter :: LATTICE_BCC_SLIPFAMILY_NAME = &
['<1 -1 1>{0 1 1}', & ['<1 -1 1>{0 1 1}', &
'<1 -1 1>{2 1 1}'] '<1 -1 1>{2 1 1}']
real(pReal), dimension(3+3,LATTICE_BCC_NTWIN), parameter, private :: & real(pReal), dimension(3+3,LATTICE_BCC_NTWIN), parameter :: &
LATTICE_BCC_SYSTEMTWIN = reshape(real([& LATTICE_BCC_SYSTEMTWIN = reshape(real([&
! Twin system <111>{112} ! Twin system <111>{112}
-1, 1, 1, 2, 1, 1, & -1, 1, 1, 2, 1, 1, &
@ -190,10 +192,10 @@ module lattice
1, 1, 1, 1, 1,-2 & 1, 1, 1, 1, 1,-2 &
],pReal),shape(LATTICE_BCC_SYSTEMTWIN)) ],pReal),shape(LATTICE_BCC_SYSTEMTWIN))
character(len=*), dimension(1), parameter, private :: LATTICE_BCC_TWINFAMILY_NAME = & character(len=*), dimension(1), parameter :: LATTICE_BCC_TWINFAMILY_NAME = &
['<1 1 1>{2 1 1}'] ['<1 1 1>{2 1 1}']
real(pReal), dimension(3+3,LATTICE_BCC_NCLEAVAGE), parameter, private :: & real(pReal), dimension(3+3,LATTICE_BCC_NCLEAVAGE), parameter :: &
LATTICE_BCC_SYSTEMCLEAVAGE = reshape(real([& LATTICE_BCC_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
@ -209,21 +211,21 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hexagonal ! hexagonal
integer, dimension(6), parameter, private :: & integer, dimension(6), parameter :: &
LATTICE_HEX_NSLIPSYSTEM = [3, 3, 3, 6, 12, 6] !< # of slip systems per family for hex LATTICE_HEX_NSLIPSYSTEM = [3, 3, 3, 6, 12, 6] !< # of slip systems per family for hex
integer, dimension(4), parameter, private :: & integer, dimension(4), parameter :: &
LATTICE_HEX_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hex LATTICE_HEX_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hex
integer, dimension(1), parameter, private :: & integer, dimension(1), parameter :: &
LATTICE_HEX_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for hex LATTICE_HEX_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for hex
integer, parameter, private :: & integer, parameter :: &
LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSYSTEM), & !< total # of slip systems for hex LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSYSTEM), & !< total # of slip systems for hex
LATTICE_HEX_NTWIN = sum(LATTICE_HEX_NTWINSYSTEM), & !< total # of twin systems for hex LATTICE_HEX_NTWIN = sum(LATTICE_HEX_NTWINSYSTEM), & !< total # of twin systems for hex
LATTICE_HEX_NCLEAVAGE = sum(LATTICE_HEX_NCLEAVAGESYSTEM) !< total # of cleavage systems for hex LATTICE_HEX_NCLEAVAGE = sum(LATTICE_HEX_NCLEAVAGESYSTEM) !< total # of cleavage systems for hex
real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter, private :: & real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter :: &
LATTICE_HEX_SYSTEMSLIP = reshape(real([& LATTICE_HEX_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base)) ! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
@ -267,7 +269,7 @@ module lattice
1, 1, -2, 3, -1, -1, 2, 2 & 1, 1, -2, 3, -1, -1, 2, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr ],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
character(len=*), dimension(6), parameter, private :: LATTICE_HEX_SLIPFAMILY_NAME = & character(len=*), dimension(6), parameter :: LATTICE_HEX_SLIPFAMILY_NAME = &
['<1 1 . 1>{0 0 . 1} ', & ['<1 1 . 1>{0 0 . 1} ', &
'<1 1 . 1>{1 0 . 0} ', & '<1 1 . 1>{1 0 . 0} ', &
'<1 0 . 0>{1 1 . 0} ', & '<1 0 . 0>{1 1 . 0} ', &
@ -275,7 +277,7 @@ module lattice
'<1 1 . 3>{-1 0 . 1} ', & '<1 1 . 3>{-1 0 . 1} ', &
'<1 1 . 3>{-1 -1 . 2}'] '<1 1 . 3>{-1 -1 . 2}']
real(pReal), dimension(4+4,LATTICE_HEX_NTWIN), parameter, private :: & real(pReal), dimension(4+4,LATTICE_HEX_NTWIN), parameter :: &
LATTICE_HEX_SYSTEMTWIN = reshape(real([& LATTICE_HEX_SYSTEMTWIN = reshape(real([&
! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981) ! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
1, -1, 0, 1, -1, 1, 0, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a) 1, -1, 0, 1, -1, 1, 0, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
@ -307,13 +309,13 @@ module lattice
1, 1, -2, -3, 1, 1, -2, 2 & 1, 1, -2, -3, 1, 1, -2, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, order follows Prof. Tom Bieler's scheme ],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, order follows Prof. Tom Bieler's scheme
character(len=*), dimension(4), parameter, private :: LATTICE_HEX_TWINFAMILY_NAME = & character(len=*), dimension(4), parameter :: LATTICE_HEX_TWINFAMILY_NAME = &
['<-1 0 . 1>{1 0 . 2} ', & ['<-1 0 . 1>{1 0 . 2} ', &
'<1 1 . 6>{-1 -1 . 1}', & '<1 1 . 6>{-1 -1 . 1}', &
'<1 0 . -2>{1 0 . 1} ', & '<1 0 . -2>{1 0 . 1} ', &
'<1 1 . -3>{1 1 . 2} '] '<1 1 . -3>{1 1 . 2} ']
real(pReal), dimension(4+4,LATTICE_HEX_NCLEAVAGE), parameter, private :: & real(pReal), dimension(4+4,LATTICE_HEX_NCLEAVAGE), parameter :: &
LATTICE_HEX_SYSTEMCLEAVAGE = reshape(real([& LATTICE_HEX_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
2,-1,-1, 0, 0, 0, 0, 1, & 2,-1,-1, 0, 0, 0, 0, 1, &
@ -324,13 +326,13 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! body centered tetragonal ! body centered tetragonal
integer, dimension(13), parameter, private :: & integer, dimension(13), parameter :: &
LATTICE_BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009 LATTICE_BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
integer, parameter, private :: & integer, parameter :: &
LATTICE_BCT_NSLIP = sum(LATTICE_BCT_NSLIPSYSTEM) !< total # of slip systems for bct LATTICE_BCT_NSLIP = sum(LATTICE_BCT_NSLIPSYSTEM) !< total # of slip systems for bct
real(pReal), dimension(3+3,LATTICE_BCT_NSLIP), parameter, private :: & real(pReal), dimension(3+3,LATTICE_BCT_NSLIP), parameter :: &
LATTICE_BCT_SYSTEMSLIP = reshape(real([& LATTICE_BCT_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456) ! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456)
@ -400,7 +402,7 @@ module lattice
1, 1, 1, 1,-2, 1 & 1, 1, 1, 1,-2, 1 &
],pReal),[ 3 + 3,LATTICE_BCT_NSLIP]) !< slip systems for bct sorted by Bieler ],pReal),[ 3 + 3,LATTICE_BCT_NSLIP]) !< slip systems for bct sorted by Bieler
character(len=*), dimension(13), parameter, private :: LATTICE_BCT_SLIPFAMILY_NAME = & character(len=*), dimension(13), parameter :: LATTICE_BCT_SLIPFAMILY_NAME = &
['{1 0 0)<0 0 1] ', & ['{1 0 0)<0 0 1] ', &
'{1 1 0)<0 0 1] ', & '{1 1 0)<0 0 1] ', &
'{1 0 0)<0 1 0] ', & '{1 0 0)<0 1 0] ', &
@ -418,13 +420,13 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! isotropic ! isotropic
integer, dimension(1), parameter, private :: & integer, dimension(1), parameter :: &
LATTICE_ISO_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for iso LATTICE_ISO_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for iso
integer, parameter, private :: & integer, parameter :: &
LATTICE_ISO_NCLEAVAGE = sum(LATTICE_ISO_NCLEAVAGESYSTEM) !< total # of cleavage systems for iso LATTICE_ISO_NCLEAVAGE = sum(LATTICE_ISO_NCLEAVAGESYSTEM) !< total # of cleavage systems for iso
real(pReal), dimension(3+3,LATTICE_ISO_NCLEAVAGE), parameter, private :: & real(pReal), dimension(3+3,LATTICE_ISO_NCLEAVAGE), parameter :: &
LATTICE_ISO_SYSTEMCLEAVAGE= reshape(real([& LATTICE_ISO_SYSTEMCLEAVAGE= reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
@ -435,13 +437,13 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! orthorhombic ! orthorhombic
integer, dimension(3), parameter, private :: & integer, dimension(3), parameter :: &
LATTICE_ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho LATTICE_ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho
integer, parameter, private :: & integer, parameter :: &
LATTICE_ORT_NCLEAVAGE = sum(LATTICE_ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho LATTICE_ORT_NCLEAVAGE = sum(LATTICE_ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho
real(pReal), dimension(3+3,LATTICE_ORT_NCLEAVAGE), parameter, private :: & real(pReal), dimension(3+3,LATTICE_ORT_NCLEAVAGE), parameter :: &
LATTICE_ORT_SYSTEMCLEAVAGE = reshape(real([& LATTICE_ORT_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
@ -541,10 +543,6 @@ module lattice
!> @brief Module initialization !> @brief Module initialization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_init subroutine lattice_init
use IO, only: &
IO_error
use config, only: &
config_phase
integer :: Nphases integer :: Nphases
character(len=65536) :: & character(len=65536) :: &
@ -654,14 +652,6 @@ end subroutine lattice_init
!> @brief !!!!!!!DEPRECTATED!!!!!! !> @brief !!!!!!!DEPRECTATED!!!!!!
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_initializeStructure(myPhase,CoverA) subroutine lattice_initializeStructure(myPhase,CoverA)
use prec, only: &
tol_math_check
use math, only: &
math_sym3333to66, &
math_Voigt66to3333, &
math_cross
use IO, only: &
IO_error
integer, intent(in) :: myPhase integer, intent(in) :: myPhase
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -690,9 +680,10 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
call IO_error(135,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"') call IO_error(135,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"')
enddo enddo
forall (i = 1:3) & do i = 1,3
lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),& lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_thermalExpansion33 (1:3,1:3,i,myPhase)) lattice_thermalExpansion33 (1:3,1:3,i,myPhase))
enddo
lattice_thermalConductivity33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),& lattice_thermalConductivity33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_thermalConductivity33 (1:3,1:3,myPhase)) lattice_thermalConductivity33 (1:3,1:3,myPhase))
@ -763,17 +754,17 @@ pure function lattice_symmetrizeC66(struct,C66)
select case(struct) select case(struct)
case (LATTICE_iso_ID) case (LATTICE_iso_ID)
forall(k=1:3) do k=1,3
forall(j=1:3) lattice_symmetrizeC66(k,j) = C66(1,2) forall(j=1:3) lattice_symmetrizeC66(k,j) = C66(1,2)
lattice_symmetrizeC66(k,k) = C66(1,1) lattice_symmetrizeC66(k,k) = C66(1,1)
lattice_symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2)) lattice_symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
end forall enddo
case (LATTICE_fcc_ID,LATTICE_bcc_ID) case (LATTICE_fcc_ID,LATTICE_bcc_ID)
forall(k=1:3) do k=1,3
forall(j=1:3) lattice_symmetrizeC66(k,j) = C66(1,2) forall(j=1:3) lattice_symmetrizeC66(k,j) = C66(1,2)
lattice_symmetrizeC66(k,k) = C66(1,1) lattice_symmetrizeC66(k,k) = C66(1,1)
lattice_symmetrizeC66(k+3,k+3) = C66(4,4) lattice_symmetrizeC66(k+3,k+3) = C66(4,4)
end forall enddo
case (LATTICE_hex_ID) case (LATTICE_hex_ID)
lattice_symmetrizeC66(1,1) = C66(1,1) lattice_symmetrizeC66(1,1) = C66(1,1)
lattice_symmetrizeC66(2,2) = C66(1,1) lattice_symmetrizeC66(2,2) = C66(1,1)
@ -834,7 +825,9 @@ pure function lattice_symmetrize33(struct,T33)
select case(struct) select case(struct)
case (LATTICE_iso_ID,LATTICE_fcc_ID,LATTICE_bcc_ID) case (LATTICE_iso_ID,LATTICE_fcc_ID,LATTICE_bcc_ID)
forall(k=1:3) lattice_symmetrize33(k,k) = T33(1,1) do k=1,3
lattice_symmetrize33(k,k) = T33(1,1)
enddo
case (LATTICE_hex_ID) case (LATTICE_hex_ID)
lattice_symmetrize33(1,1) = T33(1,1) lattice_symmetrize33(1,1) = T33(1,1)
lattice_symmetrize33(2,2) = T33(1,1) lattice_symmetrize33(2,2) = T33(1,1)
@ -854,10 +847,6 @@ end function lattice_symmetrize33
!> @brief figures whether unit quat falls into stereographic standard triangle !> @brief figures whether unit quat falls into stereographic standard triangle
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical pure function lattice_qInSST(Q, struct) logical pure function lattice_qInSST(Q, struct)
use, intrinsic :: &
IEEE_arithmetic
use math, only: &
math_qToRodrig
real(pReal), dimension(4), intent(in) :: Q ! orientation real(pReal), dimension(4), intent(in) :: Q ! orientation
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure
@ -888,11 +877,6 @@ end function lattice_qInSST
!> @brief calculates the disorientation for 2 unit quaternions !> @brief calculates the disorientation for 2 unit quaternions
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_qDisorientation(Q1, Q2, struct) pure function lattice_qDisorientation(Q1, Q2, struct)
use prec, only: &
tol_math_check
use math, only: &
math_qMul, &
math_qConj
real(pReal), dimension(4) :: lattice_qDisorientation real(pReal), dimension(4) :: lattice_qDisorientation
real(pReal), dimension(4), intent(in) :: & real(pReal), dimension(4), intent(in) :: &
@ -998,8 +982,6 @@ end function lattice_qDisorientation
!> @brief Characteristic shear for twinning !> @brief Characteristic shear for twinning
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(characteristicShear) function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(characteristicShear)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1077,14 +1059,6 @@ end function lattice_characteristicShear_Twin
!> @brief Rotated elasticity matrices for twinning in 66-vector notation !> @brief Rotated elasticity matrices for twinning in 66-vector notation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_C66_twin(Ntwin,C66,structure,CoverA) function lattice_C66_twin(Ntwin,C66,structure,CoverA)
use IO, only: &
IO_error
use math, only: &
PI, &
math_axisAngleToR, &
math_sym3333to66, &
math_66toSym3333, &
math_rotate_forward3333
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1125,17 +1099,6 @@ end function lattice_C66_twin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_C66_trans(Ntrans,C_parent66,structure_target, & function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
CoverA_trans,a_bcc,a_fcc) CoverA_trans,a_bcc,a_fcc)
use prec, only: &
tol_math_check
use IO, only: &
IO_error
use math, only: &
INRAD, &
MATH_I3, &
math_axisAngleToR, &
math_sym3333to66, &
math_66toSym3333, &
math_rotate_forward3333
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
character(len=*), intent(in) :: structure_target !< lattice structure character(len=*), intent(in) :: structure_target !< lattice structure
@ -1196,13 +1159,6 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
! Gröger et al. 2008, Acta Materialia 56 (2008) 5412–5425, table 1 ! Gröger et al. 2008, Acta Materialia 56 (2008) 5412–5425, table 1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSchmidMatrix) function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSchmidMatrix)
use IO, only: &
IO_error
use math, only: &
INRAD, &
math_outer, &
math_cross, &
math_axisAngleToR
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
@ -1246,8 +1202,6 @@ end function lattice_nonSchmidMatrix
!> details only active slip systems are considered !> details only active slip systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) result(interactionMatrix) function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
@ -1468,8 +1422,6 @@ end function lattice_interaction_SlipBySlip
!> details only active twin systems are considered !> details only active twin systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) result(interactionMatrix) function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
@ -1571,8 +1523,6 @@ end function lattice_interaction_TwinByTwin
!> details only active trans systems are considered !> details only active trans systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) result(interactionMatrix) function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
@ -1618,8 +1568,6 @@ end function lattice_interaction_TransByTrans
!> details only active slip and twin systems are considered !> details only active slip and twin systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure) result(interactionMatrix) function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntwin !< number of active twin systems per family Ntwin !< number of active twin systems per family
@ -1760,8 +1708,6 @@ end function lattice_interaction_SlipByTwin
!> details only active slip and trans systems are considered !> details only active slip and trans systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structure) result(interactionMatrix) function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntrans !< number of active trans systems per family Ntrans !< number of active trans systems per family
@ -1818,8 +1764,6 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
!> details only active twin and slip systems are considered !> details only active twin and slip systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure) result(interactionMatrix) function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
Nslip !< number of active slip systems per family Nslip !< number of active slip systems per family
@ -1898,13 +1842,6 @@ end function lattice_interaction_TwinBySlip
!> details only active slip systems are considered !> details only active slip systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix) function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix)
use prec, only: &
tol_math_check
use IO, only: &
IO_error
use math, only: &
math_trace33, &
math_outer
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1957,13 +1894,6 @@ end function lattice_SchmidMatrix_slip
!> details only active twin systems are considered !> details only active twin systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix) function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
use prec, only: &
tol_math_check
use IO, only: &
IO_error
use math, only: &
math_trace33, &
math_outer
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -2013,8 +1943,6 @@ function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
!> details only active twin systems are considered !> details only active twin systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc) result(SchmidMatrix) function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc) result(SchmidMatrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2041,10 +1969,6 @@ end function lattice_SchmidMatrix_trans
!> details only active cleavage systems are considered !> details only active cleavage systems are considered
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(SchmidMatrix) function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(SchmidMatrix)
use math, only: &
math_outer
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -2154,8 +2078,6 @@ end function lattice_slip_transverse
!> @details: This projection is used to calculate forest hardening for edge dislocations !> @details: This projection is used to calculate forest hardening for edge dislocations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function slipProjection_transverse(Nslip,structure,cOverA) result(projection) function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
use math, only: &
math_inner
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -2179,8 +2101,6 @@ end function slipProjection_transverse
!> @details: This projection is used to calculate forest hardening for screw dislocations !> @details: This projection is used to calculate forest hardening for screw dislocations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function slipProjection_direction(Nslip,structure,cOverA) result(projection) function slipProjection_direction(Nslip,structure,cOverA) result(projection)
use math, only: &
math_inner
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -2204,8 +2124,6 @@ end function slipProjection_direction
!> @details Order: Direction, plane (normal), and common perpendicular !> @details Order: Direction, plane (normal), and common perpendicular
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem) function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -2249,8 +2167,6 @@ end function coordinateSystem_slip
!> @brief Populates reduced interaction matrix !> @brief Populates reduced interaction matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix) function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix)
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
reacting_used, & !< # of reacting systems per family as specified in material.config reacting_used, & !< # of reacting systems per family as specified in material.config
@ -2295,10 +2211,6 @@ end function buildInteraction
!> @details Order: Direction, plane (normal), and common perpendicular !> @details Order: Direction, plane (normal), and common perpendicular
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function buildCoordinateSystem(active,complete,system,structure,cOverA) function buildCoordinateSystem(active,complete,system,structure,cOverA)
use IO, only: &
IO_error
use math, only: &
math_cross
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
active, & active, &
@ -2370,16 +2282,6 @@ end function buildCoordinateSystem
! set a_bcc = 0.0 for fcc -> hex transformation ! set a_bcc = 0.0 for fcc -> hex transformation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc) subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
use prec, only: &
dEq0
use math, only: &
math_cross, &
math_outer, &
math_axisAngleToR, &
INRAD, &
MATH_I3
use IO, only: &
IO_error
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
Ntrans Ntrans

34
src/list.f90
View File

@ -3,8 +3,8 @@
!> @brief linked list !> @brief linked list
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module list module list
use prec, only: & use prec
pReal use IO
implicit none implicit none
private private
@ -65,10 +65,6 @@ contains
!! to lower case. The data is not stored in the new element but in the current. !! to lower case. The data is not stored in the new element but in the current.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine add(this,string) subroutine add(this,string)
use IO, only: &
IO_isBlank, &
IO_lc, &
IO_stringPos
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: string character(len=*), intent(in) :: string
@ -157,8 +153,6 @@ end subroutine finalizeArray
!> @brief reports wether a given key (string value at first position) exists in the list !> @brief reports wether a given key (string value at first position) exists in the list
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical function keyExists(this,key) logical function keyExists(this,key)
use IO, only: &
IO_stringValue
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key character(len=*), intent(in) :: key
@ -180,8 +174,6 @@ end function keyExists
!> @details traverses list and counts each occurrence of specified key !> @details traverses list and counts each occurrence of specified key
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer function countKeys(this,key) integer function countKeys(this,key)
use IO, only: &
IO_stringValue
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key character(len=*), intent(in) :: key
@ -205,10 +197,6 @@ end function countKeys
!! error unless default is given !! error unless default is given
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
real(pReal) function getFloat(this,key,defaultVal) real(pReal) function getFloat(this,key,defaultVal)
use IO, only : &
IO_error, &
IO_stringValue, &
IO_FloatValue
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key character(len=*), intent(in) :: key
@ -241,10 +229,6 @@ end function getFloat
!! error unless default is given !! error unless default is given
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer function getInt(this,key,defaultVal) integer function getInt(this,key,defaultVal)
use IO, only: &
IO_error, &
IO_stringValue, &
IO_IntValue
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key character(len=*), intent(in) :: key
@ -278,9 +262,6 @@ end function getInt
!! the individual chunks are returned !! the individual chunks are returned
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=65536) function getString(this,key,defaultVal,raw) character(len=65536) function getString(this,key,defaultVal,raw)
use IO, only: &
IO_error, &
IO_stringValue
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key character(len=*), intent(in) :: key
@ -327,10 +308,6 @@ end function getString
!! values from the last occurrence. If key is not found exits with error unless default is given. !! values from the last occurrence. If key is not found exits with error unless default is given.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function getFloats(this,key,defaultVal,requiredSize) function getFloats(this,key,defaultVal,requiredSize)
use IO, only: &
IO_error, &
IO_stringValue, &
IO_FloatValue
real(pReal), dimension(:), allocatable :: getFloats real(pReal), dimension(:), allocatable :: getFloats
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
@ -376,10 +353,6 @@ end function getFloats
!! values from the last occurrence. If key is not found exits with error unless default is given. !! values from the last occurrence. If key is not found exits with error unless default is given.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function getInts(this,key,defaultVal,requiredSize) function getInts(this,key,defaultVal,requiredSize)
use IO, only: &
IO_error, &
IO_stringValue, &
IO_IntValue
integer, dimension(:), allocatable :: getInts integer, dimension(:), allocatable :: getInts
class(tPartitionedStringList), target, intent(in) :: this class(tPartitionedStringList), target, intent(in) :: this
@ -426,9 +399,6 @@ end function getInts
!! If raw is true, the the complete string is returned, otherwise the individual chunks are returned !! If raw is true, the the complete string is returned, otherwise the individual chunks are returned
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function getStrings(this,key,defaultVal,raw) function getStrings(this,key,defaultVal,raw)
use IO, only: &
IO_error, &
IO_StringValue
character(len=65536),dimension(:), allocatable :: getStrings character(len=65536),dimension(:), allocatable :: getStrings
class(tPartitionedStringList),target, intent(in) :: this class(tPartitionedStringList),target, intent(in) :: this

29
src/math.f90
View File

@ -10,12 +10,20 @@ module math
use future use future
implicit none implicit none
real(pReal), parameter, public :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter public
real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree #if __INTEL_COMPILER >= 1900
real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian ! do not make use associated entities available to other modules
complex(pReal), parameter, public :: TWOPIIMG = cmplx(0.0_pReal,2.0_pReal*PI) !< Re(0.0), Im(2xPi) private :: &
prec, &
future
#endif
real(pReal), dimension(3,3), parameter, public :: & real(pReal), parameter :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter
real(pReal), parameter :: INDEG = 180.0_pReal/PI !< conversion from radian into degree
real(pReal), parameter :: INRAD = PI/180.0_pReal !< conversion from degree into radian
complex(pReal), parameter :: TWOPIIMG = cmplx(0.0_pReal,2.0_pReal*PI) !< Re(0.0), Im(2xPi)
real(pReal), dimension(3,3), parameter :: &
MATH_I3 = reshape([& MATH_I3 = reshape([&
1.0_pReal,0.0_pReal,0.0_pReal, & 1.0_pReal,0.0_pReal,0.0_pReal, &
0.0_pReal,1.0_pReal,0.0_pReal, & 0.0_pReal,1.0_pReal,0.0_pReal, &
@ -75,7 +83,7 @@ module math
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
private :: & private :: &
math_check unitTest
contains contains
@ -116,14 +124,15 @@ subroutine math_init
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
call random_seed(put = randInit) call random_seed(put = randInit)
call math_check call unitTest
end subroutine math_init end subroutine math_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief check correctness of (some) math functions !> @brief check correctness of (some) math functions
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine math_check subroutine unitTest
use IO, only: IO_error use IO, only: IO_error
character(len=64) :: error_msg character(len=64) :: error_msg
@ -145,7 +154,7 @@ subroutine math_check
call IO_error(401,ext_msg=error_msg) call IO_error(401,ext_msg=error_msg)
endif endif
end subroutine math_check end subroutine unitTest
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -274,6 +283,7 @@ pure function math_identity2nd(dimen)
end function math_identity2nd end function math_identity2nd
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief symmetric fourth rank identity tensor of specified dimension !> @brief symmetric fourth rank identity tensor of specified dimension
! from http://en.wikipedia.org/wiki/Tensor_derivative_(continuum_mechanics)#Derivative_of_a_second-order_tensor_with_respect_to_itself ! from http://en.wikipedia.org/wiki/Tensor_derivative_(continuum_mechanics)#Derivative_of_a_second-order_tensor_with_respect_to_itself
@ -626,6 +636,7 @@ pure function math_skew33(m)
end function math_skew33 end function math_skew33
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief hydrostatic part of a 33 matrix !> @brief hydrostatic part of a 33 matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

103
src/plastic_dislotwin.f90
View File

@ -8,17 +8,26 @@
!> @details to be done !> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_dislotwin module plastic_dislotwin
use prec, only: & use prec
pReal use debug
use math
use IO
use material
use config
use lattice
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
#endif
implicit none implicit none
private private
integer, dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
plastic_dislotwin_sizePostResult !< size of each post result output plastic_dislotwin_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
plastic_dislotwin_output !< name of each post result output plastic_dislotwin_output !< name of each post result output
real(pReal), parameter, private :: & real(pReal), parameter :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
enum, bind(c) enum, bind(c)
@ -39,7 +48,7 @@ module plastic_dislotwin
f_tr_ID f_tr_ID
end enum end enum
type, private :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
mu, & mu, &
nu, & nu, &
@ -119,7 +128,7 @@ module plastic_dislotwin
dipoleFormation !< flag indicating consideration of dipole formation dipoleFormation !< flag indicating consideration of dipole formation
end type !< container type for internal constitutive parameters end type !< container type for internal constitutive parameters
type, private :: tDislotwinState type :: tDislotwinState
real(pReal), dimension(:,:), pointer :: & real(pReal), dimension(:,:), pointer :: &
rho_mob, & rho_mob, &
rho_dip, & rho_dip, &
@ -128,7 +137,7 @@ module plastic_dislotwin
f_tr f_tr
end type tDislotwinState end type tDislotwinState
type, private :: tDislotwinMicrostructure type :: tDislotwinMicrostructure
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, & !* mean free path between 2 obstacles seen by a moving dislocation Lambda_sl, & !* mean free path between 2 obstacles seen by a moving dislocation
Lambda_tw, & !* mean free path between 2 obstacles seen by a growing twin Lambda_tw, & !* mean free path between 2 obstacles seen by a growing twin
@ -144,11 +153,11 @@ module plastic_dislotwin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:), private :: param type(tParameters), allocatable, dimension(:) :: param
type(tDislotwinState), allocatable, dimension(:), private :: & type(tDislotwinState), allocatable, dimension(:) :: &
dotState, & dotState, &
state state
type(tDislotwinMicrostructure), allocatable, dimension(:), private :: dependentState type(tDislotwinMicrostructure), allocatable, dimension(:) :: dependentState
public :: & public :: &
plastic_dislotwin_init, & plastic_dislotwin_init, &
@ -158,10 +167,6 @@ module plastic_dislotwin
plastic_dislotwin_dotState, & plastic_dislotwin_dotState, &
plastic_dislotwin_postResults, & plastic_dislotwin_postResults, &
plastic_dislotwin_results plastic_dislotwin_results
private :: &
kinetics_slip, &
kinetics_twin, &
kinetics_trans
contains contains
@ -171,24 +176,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_init subroutine plastic_dislotwin_init
use prec, only: &
pStringLen, &
dEq0, &
dNeq0, &
dNeq
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use math, only: &
math_expand,&
PI
use IO, only: &
IO_error
use material
use config, only: &
config_phase
use lattice
integer :: & integer :: &
Ninstance, & Ninstance, &
@ -591,10 +578,6 @@ end subroutine plastic_dislotwin_init
!> @brief returns the homogenized elasticity matrix !> @brief returns the homogenized elasticity matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
homogenizedC homogenizedC
@ -634,14 +617,6 @@ end function plastic_dislotwin_homogenizedC
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_eigenValuesVectorsSym, &
math_outer, &
math_symmetric33, &
math_mul33xx33
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
@ -757,13 +732,6 @@ end subroutine plastic_dislotwin_LpAndItsTangent
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dotState(Mp,T,instance,of) subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
use prec, only: &
tol_math_check, &
dEq0
use math, only: &
math_clip, &
math_mul33xx33, &
PI
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress Mp !< Mandel stress
@ -854,8 +822,6 @@ end subroutine plastic_dislotwin_dotState
!> @brief calculates derived quantities from state !> @brief calculates derived quantities from state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dependentState(T,instance,of) subroutine plastic_dislotwin_dependentState(T,instance,of)
use math, only: &
PI
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
@ -868,13 +834,13 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
real(pReal) :: & real(pReal) :: &
sumf_twin,SFE,sumf_trans sumf_twin,SFE,sumf_trans
real(pReal), dimension(param(instance)%sum_N_sl) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
inv_lambda_sl_sl, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation inv_lambda_sl_sl, & !< 1/mean free distance between 2 forest dislocations seen by a moving dislocation
inv_lambda_sl_tw, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation inv_lambda_sl_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
inv_lambda_sl_tr !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation inv_lambda_sl_tr !< 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
real(pReal), dimension(param(instance)%sum_N_tw) :: & real(pReal), dimension(param(instance)%sum_N_tw) :: &
inv_lambda_tw_tw !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin inv_lambda_tw_tw !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
real(pReal), dimension(param(instance)%sum_N_tr) :: & real(pReal), dimension(param(instance)%sum_N_tr) :: &
inv_lambda_tr_tr !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) inv_lambda_tr_tr !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
x0, & x0, &
@ -967,12 +933,6 @@ end subroutine plastic_dislotwin_dependentState
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
use prec, only: &
tol_math_check, &
dEq0
use math, only: &
PI, &
math_mul33xx33
real(pReal), dimension(3,3),intent(in) :: & real(pReal), dimension(3,3),intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
@ -1050,8 +1010,6 @@ end function plastic_dislotwin_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_results(instance,group) subroutine plastic_dislotwin_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*) :: group character(len=*) :: group
@ -1112,11 +1070,6 @@ end subroutine plastic_dislotwin_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,T,instance,of, & pure subroutine kinetics_slip(Mp,T,instance,of, &
dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip) dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -1190,11 +1143,6 @@ end subroutine kinetics_slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
dot_gamma_twin,ddot_gamma_dtau_twin) dot_gamma_twin,ddot_gamma_dtau_twin)
use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -1261,11 +1209,6 @@ end subroutine kinetics_twin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
dot_gamma_tr,ddot_gamma_dtau_trans) dot_gamma_tr,ddot_gamma_dtau_trans)
use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress

61
src/plastic_isotropic.f90
View File

@ -8,11 +8,19 @@
!! untextured polycrystal !! untextured polycrystal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_isotropic module plastic_isotropic
use prec, only: & use prec
pReal use debug
use math
use IO
use material
use config
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
#endif
implicit none implicit none
private private
integer, dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
plastic_isotropic_sizePostResult !< size of each post result output plastic_isotropic_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
@ -25,7 +33,7 @@ module plastic_isotropic
dot_gamma_ID dot_gamma_ID
end enum end enum
type, private :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
M, & !< Taylor factor M, & !< Taylor factor
xi_0, & !< initial critical stress xi_0, & !< initial critical stress
@ -49,7 +57,7 @@ module plastic_isotropic
dilatation dilatation
end type tParameters end type tParameters
type, private :: tIsotropicState type :: tIsotropicState
real(pReal), pointer, dimension(:) :: & real(pReal), pointer, dimension(:) :: &
xi, & xi, &
gamma gamma
@ -57,8 +65,8 @@ module plastic_isotropic
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:), private :: param type(tParameters), allocatable, dimension(:) :: param
type(tIsotropicState), allocatable, dimension(:), private :: & type(tIsotropicState), allocatable, dimension(:) :: &
dotState, & dotState, &
state state
@ -77,24 +85,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_init subroutine plastic_isotropic_init
use prec, only: &
pStringLen
use debug, only: &
#ifdef DEBUG
debug_e, &
debug_i, &
debug_g, &
debug_levelExtensive, &
#endif
debug_level, &
debug_constitutive, &
debug_levelBasic
use IO, only: &
IO_error
use material
use config, only: &
config_phase
use lattice
integer :: & integer :: &
Ninstance, & Ninstance, &
@ -235,16 +225,6 @@ end subroutine plastic_isotropic_init
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
#ifdef DEBUG
use debug, only: &
debug_level, &
debug_constitutive,&
debug_levelExtensive, &
debug_levelSelective
#endif
use math, only: &
math_deviatoric33, &
math_mul33xx33
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
@ -307,10 +287,6 @@ end subroutine plastic_isotropic_LpAndItsTangent
! ToDo: Rename Tstar to Mi? ! ToDo: Rename Tstar to Mi?
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar,Tstar,instance,of) subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar,Tstar,instance,of)
use math, only: &
math_I3, &
math_spherical33, &
math_mul33xx33
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient Li !< inleastic velocity gradient
@ -362,11 +338,6 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar,Tstar,instance,of)
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_dotState(Mp,instance,of) subroutine plastic_isotropic_dotState(Mp,instance,of)
use prec, only: &
dEq0
use math, only: &
math_mul33xx33, &
math_deviatoric33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -416,9 +387,6 @@ end subroutine plastic_isotropic_dotState
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_isotropic_postResults(Mp,instance,of) result(postResults) function plastic_isotropic_postResults(Mp,instance,of) result(postResults)
use math, only: &
math_mul33xx33, &
math_deviatoric33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -468,7 +436,6 @@ end function plastic_isotropic_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_results(instance,group) subroutine plastic_isotropic_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5) #if defined(PETSc) || defined(DAMASKHDF5)
use results
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group

62
src/plastic_kinematichardening.f90
View File

@ -6,11 +6,20 @@
!! and a Voce-type kinematic hardening rule !! and a Voce-type kinematic hardening rule
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_kinehardening module plastic_kinehardening
use prec, only: & use prec
pReal use debug
use math
use IO
use material
use config
use lattice
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
#endif
implicit none implicit none
private private
integer, dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
plastic_kinehardening_sizePostResult !< size of each post result output plastic_kinehardening_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
@ -29,7 +38,7 @@ module plastic_kinehardening
resolvedstress_ID resolvedstress_ID
end enum end enum
type, private :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
gdot0, & !< reference shear strain rate for slip gdot0, & !< reference shear strain rate for slip
n, & !< stress exponent for slip n, & !< stress exponent for slip
@ -59,7 +68,7 @@ module plastic_kinehardening
outputID !< ID of each post result output outputID !< ID of each post result output
end type tParameters end type tParameters
type, private :: tKinehardeningState type :: tKinehardeningState
real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance
crss, & !< critical resolved stress crss, & !< critical resolved stress
crss_back, & !< critical resolved back stress crss_back, & !< critical resolved back stress
@ -71,8 +80,8 @@ module plastic_kinehardening
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:), private :: param type(tParameters), allocatable, dimension(:) :: param
type(tKinehardeningState), allocatable, dimension(:), private :: & type(tKinehardeningState), allocatable, dimension(:) :: &
dotState, & dotState, &
deltaState, & deltaState, &
state state
@ -84,8 +93,6 @@ module plastic_kinehardening
plastic_kinehardening_deltaState, & plastic_kinehardening_deltaState, &
plastic_kinehardening_postResults, & plastic_kinehardening_postResults, &
plastic_kinehardening_results plastic_kinehardening_results
private :: &
kinetics
contains contains
@ -95,27 +102,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_init subroutine plastic_kinehardening_init
use prec, only: &
dEq0, &
pStringLen
use debug, only: &
#ifdef DEBUG
debug_e, &
debug_i, &
debug_g, &
debug_levelExtensive, &
#endif
debug_level, &
debug_constitutive,&
debug_levelBasic
use math, only: &
math_expand
use IO, only: &
IO_error
use material
use config, only: &
config_phase
use lattice
integer :: & integer :: &
Ninstance, & Ninstance, &
@ -417,16 +403,6 @@ end subroutine plastic_kinehardening_dotState
!> @brief calculates (instantaneous) incremental change of microstructure !> @brief calculates (instantaneous) incremental change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_deltaState(Mp,instance,of) subroutine plastic_kinehardening_deltaState(Mp,instance,of)
use prec, only: &
dNeq, &
dEq0
#ifdef DEBUG
use debug, only: &
debug_level, &
debug_constitutive,&
debug_levelExtensive, &
debug_levelSelective
#endif
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -475,8 +451,6 @@ end subroutine plastic_kinehardening_deltaState
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_kinehardening_postResults(Mp,instance,of) result(postResults) function plastic_kinehardening_postResults(Mp,instance,of) result(postResults)
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -535,8 +509,6 @@ end function plastic_kinehardening_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_results(instance,group) subroutine plastic_kinehardening_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*) :: group character(len=*) :: group
@ -585,10 +557,6 @@ end subroutine plastic_kinehardening_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,instance,of, & pure subroutine kinetics(Mp,instance,of, &
gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg) gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
use prec, only: &
dNeq0
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress

7
src/plastic_none.f90
View File

@ -5,6 +5,8 @@
!> @brief Dummy plasticity for purely elastic material !> @brief Dummy plasticity for purely elastic material
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_none module plastic_none
use material
use debug
implicit none implicit none
private private
@ -19,11 +21,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_none_init subroutine plastic_none_init
use debug, only: &
debug_level, &
debug_constitutive, &
debug_levelBasic
use material
integer :: & integer :: &
Ninstance, & Ninstance, &

50
src/plastic_phenopowerlaw.f90
View File

@ -5,11 +5,20 @@
!> @brief phenomenological crystal plasticity formulation using a powerlaw fitting !> @brief phenomenological crystal plasticity formulation using a powerlaw fitting
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_phenopowerlaw module plastic_phenopowerlaw
use prec, only: & use prec
pReal use debug
use math
use IO
use material
use config
use lattice
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
#endif
implicit none implicit none
private private
integer, dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
plastic_phenopowerlaw_sizePostResult !< size of each post result output plastic_phenopowerlaw_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
@ -28,7 +37,7 @@ module plastic_phenopowerlaw
resolvedstress_twin_ID resolvedstress_twin_ID
end enum end enum
type, private :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
gdot0_slip, & !< reference shear strain rate for slip gdot0_slip, & !< reference shear strain rate for slip
gdot0_twin, & !< reference shear strain rate for twin gdot0_twin, & !< reference shear strain rate for twin
@ -73,7 +82,7 @@ module plastic_phenopowerlaw
outputID !< ID of each post result output outputID !< ID of each post result output
end type tParameters end type tParameters
type, private :: tPhenopowerlawState type :: tPhenopowerlawState
real(pReal), pointer, dimension(:,:) :: & real(pReal), pointer, dimension(:,:) :: &
xi_slip, & xi_slip, &
xi_twin, & xi_twin, &
@ -83,8 +92,8 @@ module plastic_phenopowerlaw
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:), private :: param type(tParameters), allocatable, dimension(:) :: param
type(tPhenopowerlawState), allocatable, dimension(:), private :: & type(tPhenopowerlawState), allocatable, dimension(:) :: &
dotState, & dotState, &
state state
@ -94,9 +103,6 @@ module plastic_phenopowerlaw
plastic_phenopowerlaw_dotState, & plastic_phenopowerlaw_dotState, &
plastic_phenopowerlaw_postResults, & plastic_phenopowerlaw_postResults, &
plastic_phenopowerlaw_results plastic_phenopowerlaw_results
private :: &
kinetics_slip, &
kinetics_twin
contains contains
@ -106,20 +112,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_init subroutine plastic_phenopowerlaw_init
use prec, only: &
pStringLen
use debug, only: &
debug_level, &
debug_constitutive,&
debug_levelBasic
use math, only: &
math_expand
use IO, only: &
IO_error
use material
use config, only: &
config_phase
use lattice
integer :: & integer :: &
Ninstance, & Ninstance, &
@ -484,8 +476,6 @@ end subroutine plastic_phenopowerlaw_dotState
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults) function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -552,8 +542,6 @@ end function plastic_phenopowerlaw_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_results(instance,group) subroutine plastic_phenopowerlaw_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -598,10 +586,6 @@ end subroutine plastic_phenopowerlaw_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,instance,of, & pure subroutine kinetics_slip(Mp,instance,of, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtau_slip_pos,dgdot_dtau_slip_neg) gdot_slip_pos,gdot_slip_neg,dgdot_dtau_slip_pos,dgdot_dtau_slip_neg)
use prec, only: &
dNeq0
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -674,10 +658,6 @@ end subroutine kinetics_slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(Mp,instance,of,& pure subroutine kinetics_twin(Mp,instance,of,&
gdot_twin,dgdot_dtau_twin) gdot_twin,dgdot_dtau_twin)
use prec, only: &
dNeq0
use math, only: &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress

5
src/quaternions.f90
View File

@ -34,8 +34,7 @@
!> @details w is the real part, (x, y, z) are the imaginary parts. !> @details w is the real part, (x, y, z) are the imaginary parts.
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
module quaternions module quaternions
use prec, only: & use prec
pReal
use future use future
implicit none implicit none
@ -286,8 +285,6 @@ end function div_scal__
!> equality of two quaternions !> equality of two quaternions
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
logical elemental function eq__(self,other) logical elemental function eq__(self,other)
use prec, only: &
dEq
class(quaternion), intent(in) :: self,other class(quaternion), intent(in) :: self,other

16
src/results.f90
View File

@ -5,6 +5,9 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module results module results
use DAMASK_interface
use rotations
use numerics
use HDF5_utilities use HDF5_utilities
#ifdef PETSc #ifdef PETSc
use PETSC use PETSC
@ -55,8 +58,6 @@ module results
contains contains
subroutine results_init subroutine results_init
use DAMASK_interface, only: &
getSolverJobName
character(len=pStringLen) :: commandLine character(len=pStringLen) :: commandLine
@ -83,9 +84,6 @@ end subroutine results_init
!> @brief opens the results file to append data !> @brief opens the results file to append data
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_openJobFile subroutine results_openJobFile
use DAMASK_interface, only: &
getSolverJobName
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.) resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
@ -396,8 +394,6 @@ end subroutine results_writeTensorDataset_int
!> @brief stores a scalar dataset in a group !> @brief stores a scalar dataset in a group
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_rotation(group,dataset,label,description,lattice_structure) subroutine results_writeScalarDataset_rotation(group,dataset,label,description,lattice_structure)
use rotations, only: &
rotation
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: lattice_structure character(len=*), intent(in), optional :: lattice_structure
@ -428,9 +424,6 @@ end subroutine results_writeScalarDataset_rotation
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_constituent(phaseAt,memberAt,label) subroutine results_mapping_constituent(phaseAt,memberAt,label)
use numerics, only: &
worldrank, &
worldsize
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element) integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
integer, dimension(:,:,:), intent(in) :: memberAt !< phase member at (constituent,IP,element) integer, dimension(:,:,:), intent(in) :: memberAt !< phase member at (constituent,IP,element)
@ -566,9 +559,6 @@ end subroutine results_mapping_constituent
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label) subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
use numerics, only: &
worldrank, &
worldsize
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element) integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
integer, dimension(:,:), intent(in) :: memberAt !< homogenization member at (IP,element) integer, dimension(:,:), intent(in) :: memberAt !< homogenization member at (IP,element)

86
src/rotations.f90
View File

@ -46,12 +46,15 @@
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
module rotations module rotations
use prec, only: & use prec
pReal use IO
use math
use Lambert
use quaternions use quaternions
implicit none implicit none
private private
type, public :: rotation type, public :: rotation
type(quaternion), private :: q type(quaternion), private :: q
contains contains
@ -148,8 +151,6 @@ end subroutine
!> @details: rotation is based on unit quaternion or rotation matrix (fallback) !> @details: rotation is based on unit quaternion or rotation matrix (fallback)
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function rotVector(self,v,active) function rotVector(self,v,active)
use prec, only: &
dEq
real(pReal), dimension(3) :: rotVector real(pReal), dimension(3) :: rotVector
class(rotation), intent(in) :: self class(rotation), intent(in) :: self
@ -260,10 +261,6 @@ end function qu2om
!> @brief convert unit quaternion to Euler angles !> @brief convert unit quaternion to Euler angles
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function qu2eu(qu) result(eu) pure function qu2eu(qu) result(eu)
use prec, only: &
dEq0
use math, only: &
PI
type(quaternion), intent(in) :: qu type(quaternion), intent(in) :: qu
real(pReal), dimension(3) :: eu real(pReal), dimension(3) :: eu
@ -294,12 +291,6 @@ end function qu2eu
!> @brief convert unit quaternion to axis angle pair !> @brief convert unit quaternion to axis angle pair
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function qu2ax(qu) result(ax) pure function qu2ax(qu) result(ax)
use prec, only: &
dEq0, &
dNeq0
use math, only: &
PI, &
math_clip
type(quaternion), intent(in) :: qu type(quaternion), intent(in) :: qu
real(pReal), dimension(4) :: ax real(pReal), dimension(4) :: ax
@ -324,13 +315,6 @@ end function qu2ax
!> @brief convert unit quaternion to Rodrigues vector !> @brief convert unit quaternion to Rodrigues vector
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function qu2ro(qu) result(ro) pure function qu2ro(qu) result(ro)
use, intrinsic :: IEEE_ARITHMETIC, only: &
IEEE_value, &
IEEE_positive_inf
use prec, only: &
dEq0
use math, only: &
math_clip
type(quaternion), intent(in) :: qu type(quaternion), intent(in) :: qu
real(pReal), dimension(4) :: ro real(pReal), dimension(4) :: ro
@ -358,10 +342,6 @@ end function qu2ro
!> @brief convert unit quaternion to homochoric !> @brief convert unit quaternion to homochoric
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function qu2ho(qu) result(ho) pure function qu2ho(qu) result(ho)
use prec, only: &
dEq0
use math, only: &
math_clip
type(quaternion), intent(in) :: qu type(quaternion), intent(in) :: qu
real(pReal), dimension(3) :: ho real(pReal), dimension(3) :: ho
@ -415,8 +395,6 @@ end function om2qu
!> @brief orientation matrix to Euler angles !> @brief orientation matrix to Euler angles
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function om2eu(om) result(eu) pure function om2eu(om) result(eu)
use math, only: &
PI
real(pReal), intent(in), dimension(3,3) :: om real(pReal), intent(in), dimension(3,3) :: om
real(pReal), dimension(3) :: eu real(pReal), dimension(3) :: eu
@ -441,15 +419,6 @@ end function om2eu
!> @brief convert orientation matrix to axis angle pair !> @brief convert orientation matrix to axis angle pair
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function om2ax(om) result(ax) function om2ax(om) result(ax)
use prec, only: &
dEq0, &
cEq, &
dNeq0
use IO, only: &
IO_error
use math, only: &
math_clip, &
math_trace33
real(pReal), intent(in) :: om(3,3) real(pReal), intent(in) :: om(3,3)
real(pReal) :: ax(4) real(pReal) :: ax(4)
@ -560,8 +529,6 @@ end function eu2qu
!> @brief Euler angles to orientation matrix !> @brief Euler angles to orientation matrix
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function eu2om(eu) result(om) pure function eu2om(eu) result(om)
use prec, only: &
dEq0
real(pReal), intent(in), dimension(3) :: eu real(pReal), intent(in), dimension(3) :: eu
real(pReal), dimension(3,3) :: om real(pReal), dimension(3,3) :: om
@ -591,11 +558,6 @@ end function eu2om
!> @brief convert euler to axis angle !> @brief convert euler to axis angle
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function eu2ax(eu) result(ax) pure function eu2ax(eu) result(ax)
use prec, only: &
dEq0, &
dEq
use math, only: &
PI
real(pReal), intent(in), dimension(3) :: eu real(pReal), intent(in), dimension(3) :: eu
real(pReal), dimension(4) :: ax real(pReal), dimension(4) :: ax
@ -625,13 +587,6 @@ end function eu2ax
!> @brief Euler angles to Rodrigues vector !> @brief Euler angles to Rodrigues vector
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function eu2ro(eu) result(ro) pure function eu2ro(eu) result(ro)
use prec, only: &
dEq0
use, intrinsic :: IEEE_ARITHMETIC, only: &
IEEE_value, &
IEEE_positive_inf
use math, only: &
PI
real(pReal), intent(in), dimension(3) :: eu real(pReal), intent(in), dimension(3) :: eu
real(pReal), dimension(4) :: ro real(pReal), dimension(4) :: ro
@ -681,8 +636,6 @@ end function eu2cu
!> @brief convert axis angle pair to quaternion !> @brief convert axis angle pair to quaternion
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function ax2qu(ax) result(qu) pure function ax2qu(ax) result(qu)
use prec, only: &
dEq0
real(pReal), intent(in), dimension(4) :: ax real(pReal), intent(in), dimension(4) :: ax
type(quaternion) :: qu type(quaternion) :: qu
@ -755,13 +708,6 @@ end function ax2eu
!> @brief convert axis angle pair to Rodrigues vector !> @brief convert axis angle pair to Rodrigues vector
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function ax2ro(ax) result(ro) pure function ax2ro(ax) result(ro)
use, intrinsic :: IEEE_ARITHMETIC, only: &
IEEE_value, &
IEEE_positive_inf
use prec, only: &
dEq0
use math, only: &
PI
real(pReal), intent(in), dimension(4) :: ax real(pReal), intent(in), dimension(4) :: ax
real(pReal), dimension(4) :: ro real(pReal), dimension(4) :: ro
@ -858,12 +804,6 @@ end function ro2eu
!> @brief convert Rodrigues vector to axis angle pair !> @brief convert Rodrigues vector to axis angle pair
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function ro2ax(ro) result(ax) pure function ro2ax(ro) result(ax)
use, intrinsic :: IEEE_ARITHMETIC, only: &
IEEE_is_finite
use prec, only: &
dEq0
use math, only: &
PI
real(pReal), intent(in), dimension(4) :: ro real(pReal), intent(in), dimension(4) :: ro
real(pReal), dimension(4) :: ax real(pReal), dimension(4) :: ax
@ -890,12 +830,6 @@ end function ro2ax
!> @brief convert Rodrigues vector to homochoric !> @brief convert Rodrigues vector to homochoric
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function ro2ho(ro) result(ho) pure function ro2ho(ro) result(ho)
use, intrinsic :: IEEE_ARITHMETIC, only: &
IEEE_is_finite
use prec, only: &
dEq0
use math, only: &
PI
real(pReal), intent(in), dimension(4) :: ro real(pReal), intent(in), dimension(4) :: ro
real(pReal), dimension(3) :: ho real(pReal), dimension(3) :: ho
@ -973,8 +907,6 @@ end function ho2eu
!> @brief convert homochoric to axis angle pair !> @brief convert homochoric to axis angle pair
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function ho2ax(ho) result(ax) pure function ho2ax(ho) result(ax)
use prec, only: &
dEq0
real(pReal), intent(in), dimension(3) :: ho real(pReal), intent(in), dimension(3) :: ho
real(pReal), dimension(4) :: ax real(pReal), dimension(4) :: ax
@ -1029,13 +961,11 @@ end function ho2ro
!> @brief convert homochoric to cubochoric !> @brief convert homochoric to cubochoric
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function ho2cu(ho) result(cu) function ho2cu(ho) result(cu)
use Lambert, only: &
LambertBallToCube
real(pReal), intent(in), dimension(3) :: ho real(pReal), intent(in), dimension(3) :: ho
real(pReal), dimension(3) :: cu real(pReal), dimension(3) :: cu
cu = LambertBallToCube(ho) cu = Lambert_BallToCube(ho)
end function ho2cu end function ho2cu
@ -1115,13 +1045,11 @@ end function cu2ro
!> @brief convert cubochoric to homochoric !> @brief convert cubochoric to homochoric
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function cu2ho(cu) result(ho) function cu2ho(cu) result(ho)
use Lambert, only: &
LambertCubeToBall
real(pReal), intent(in), dimension(3) :: cu real(pReal), intent(in), dimension(3) :: cu
real(pReal), dimension(3) :: ho real(pReal), dimension(3) :: ho
ho = LambertCubeToBall(cu) ho = Lambert_CubeToBall(cu)
end function cu2ho end function cu2ho

59
src/source_damage_anisoBrittle.f90
View File

@ -6,9 +6,16 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module source_damage_anisoBrittle module source_damage_anisoBrittle
use prec use prec
use debug
use IO
use math
use material
use config
use lattice
implicit none implicit none
private private
integer, dimension(:), allocatable, public, protected :: & integer, dimension(:), allocatable, public, protected :: &
source_damage_anisoBrittle_offset, & !< which source is my current source mechanism? source_damage_anisoBrittle_offset, & !< which source is my current source mechanism?
source_damage_anisoBrittle_instance !< instance of source mechanism source_damage_anisoBrittle_instance !< instance of source mechanism
@ -19,7 +26,7 @@ module source_damage_anisoBrittle
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
source_damage_anisoBrittle_output !< name of each post result output source_damage_anisoBrittle_output !< name of each post result output
integer, dimension(:,:), allocatable, private :: & integer, dimension(:,:), allocatable :: &
source_damage_anisoBrittle_Ncleavage !< number of cleavage systems per family source_damage_anisoBrittle_Ncleavage !< number of cleavage systems per family
enum, bind(c) enum, bind(c)
@ -28,7 +35,7 @@ module source_damage_anisoBrittle
end enum end enum
type, private :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
aTol, & aTol, &
sdot_0, & sdot_0, &
@ -46,7 +53,7 @@ module source_damage_anisoBrittle
outputID !< ID of each post result output outputID !< ID of each post result output
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: & public :: &
@ -63,29 +70,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoBrittle_init subroutine source_damage_anisoBrittle_init
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use IO, only: &
IO_error
use math, only: &
math_expand
use material, only: &
material_allocateSourceState, &
phase_source, &
phase_Nsources, &
phase_Noutput, &
SOURCE_damage_anisoBrittle_label, &
SOURCE_damage_anisoBrittle_ID, &
material_phase, &
sourceState
use config, only: &
config_phase, &
material_Nphase
use lattice, only: &
lattice_SchmidMatrix_cleavage, &
lattice_maxNcleavageFamily
integer :: Ninstance,phase,instance,source,sourceOffset integer :: Ninstance,phase,instance,source,sourceOffset
integer :: NofMyPhase,p ,i integer :: NofMyPhase,p ,i
@ -101,7 +85,7 @@ subroutine source_damage_anisoBrittle_init
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//' init -+>>>'
Ninstance = int(count(phase_source == SOURCE_damage_anisoBrittle_ID)) Ninstance = count(phase_source == SOURCE_damage_anisoBrittle_ID)
if (Ninstance == 0) return if (Ninstance == 0) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
@ -193,25 +177,13 @@ subroutine source_damage_anisoBrittle_init
source_damage_anisoBrittle_Ncleavage(1:size(param(instance)%Ncleavage),instance) = param(instance)%Ncleavage source_damage_anisoBrittle_Ncleavage(1:size(param(instance)%Ncleavage),instance) = param(instance)%Ncleavage
enddo enddo
end subroutine source_damage_anisoBrittle_init end subroutine source_damage_anisoBrittle_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state !> @brief calculates derived quantities from state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el) subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
use math, only: &
math_mul33xx33
use material, only: &
phaseAt, phasememberAt, &
sourceState, &
material_homogenizationAt, &
damage, &
damageMapping
use lattice, only: &
lattice_Scleavage, &
lattice_maxNcleavageFamily, &
lattice_NcleavageSystem
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
@ -265,12 +237,11 @@ subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
end subroutine source_damage_anisoBrittle_dotState end subroutine source_damage_anisoBrittle_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force !> @brief returns local part of nonlocal damage driving force
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent) subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
use material, only: &
sourceState
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
@ -292,16 +263,16 @@ subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalph
end subroutine source_damage_anisobrittle_getRateAndItsTangent end subroutine source_damage_anisobrittle_getRateAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return array of local damage results !> @brief return array of local damage results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function source_damage_anisoBrittle_postResults(phase, constituent) function source_damage_anisoBrittle_postResults(phase, constituent)
use material, only: &
sourceState
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
constituent constituent
real(pReal), dimension(sum(source_damage_anisoBrittle_sizePostResult(:, & real(pReal), dimension(sum(source_damage_anisoBrittle_sizePostResult(:, &
source_damage_anisoBrittle_instance(phase)))) :: & source_damage_anisoBrittle_instance(phase)))) :: &
source_damage_anisoBrittle_postResults source_damage_anisoBrittle_postResults

2
src/source_damage_isoBrittle.f90
View File

@ -84,7 +84,7 @@ subroutine source_damage_isoBrittle_init
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ISOBRITTLE_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ISOBRITTLE_LABEL//' init -+>>>'
Ninstance = int(count(phase_source == SOURCE_damage_isoBrittle_ID)) Ninstance = count(phase_source == SOURCE_damage_isoBrittle_ID)
if (Ninstance == 0) return if (Ninstance == 0) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &

26
src/source_thermal_dissipation.f90
View File

@ -5,11 +5,14 @@
!> @details to be done !> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module source_thermal_dissipation module source_thermal_dissipation
use prec, only: & use prec
pReal use debug
use material
use config
implicit none implicit none
private private
integer, dimension(:), allocatable, public, protected :: & integer, dimension(:), allocatable, public, protected :: &
source_thermal_dissipation_offset, & !< which source is my current thermal dissipation mechanism? source_thermal_dissipation_offset, & !< which source is my current thermal dissipation mechanism?
source_thermal_dissipation_instance !< instance of thermal dissipation source mechanism source_thermal_dissipation_instance !< instance of thermal dissipation source mechanism
@ -20,12 +23,12 @@ module source_thermal_dissipation
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
source_thermal_dissipation_output !< name of each post result output source_thermal_dissipation_output !< name of each post result output
type, private :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
kappa kappa
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: & public :: &
@ -40,21 +43,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_init subroutine source_thermal_dissipation_init
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use material, only: &
material_allocateSourceState, &
phase_source, &
phase_Nsources, &
phase_Noutput, &
SOURCE_thermal_dissipation_label, &
SOURCE_thermal_dissipation_ID, &
material_phase
use config, only: &
config_phase, &
material_Nphase
integer :: Ninstance,instance,source,sourceOffset integer :: Ninstance,instance,source,sourceOffset
integer :: NofMyPhase,p integer :: NofMyPhase,p

31
src/source_thermal_externalheat.f90
View File

@ -5,11 +5,14 @@
!> @brief material subroutine for variable heat source !> @brief material subroutine for variable heat source
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module source_thermal_externalheat module source_thermal_externalheat
use prec, only: & use prec
pReal use debug
use material
use config
implicit none implicit none
private private
integer, dimension(:), allocatable, public, protected :: & integer, dimension(:), allocatable, public, protected :: &
source_thermal_externalheat_offset, & !< which source is my current thermal dissipation mechanism? source_thermal_externalheat_offset, & !< which source is my current thermal dissipation mechanism?
source_thermal_externalheat_instance !< instance of thermal dissipation source mechanism source_thermal_externalheat_instance !< instance of thermal dissipation source mechanism
@ -23,7 +26,7 @@ module source_thermal_externalheat
integer, dimension(:), allocatable, target, public :: & integer, dimension(:), allocatable, target, public :: &
source_thermal_externalheat_Noutput !< number of outputs per instance of this source source_thermal_externalheat_Noutput !< number of outputs per instance of this source
type, private :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
time, & time, &
heat_rate heat_rate
@ -31,7 +34,7 @@ module source_thermal_externalheat
nIntervals nIntervals
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: & public :: &
@ -47,22 +50,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_init subroutine source_thermal_externalheat_init
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use material, only: &
material_allocateSourceState, &
material_phase, &
phase_source, &
phase_Nsources, &
phase_Noutput, &
SOURCE_thermal_externalheat_label, &
SOURCE_thermal_externalheat_ID
use config, only: &
config_phase, &
material_Nphase
integer :: maxNinstance,instance,source,sourceOffset,NofMyPhase,p integer :: maxNinstance,instance,source,sourceOffset,NofMyPhase,p
@ -116,8 +103,6 @@ end subroutine source_thermal_externalheat_init
!> @details state only contains current time to linearly interpolate given heat powers !> @details state only contains current time to linearly interpolate given heat powers
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_dotState(phase, of) subroutine source_thermal_externalheat_dotState(phase, of)
use material, only: &
sourceState
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
@ -135,8 +120,6 @@ end subroutine source_thermal_externalheat_dotState
!> @brief returns local heat generation rate !> @brief returns local heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phase, of) subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phase, of)
use material, only: &
sourceState
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &

74
src/thermal_adiabatic.f90
View File

@ -3,8 +3,15 @@
!> @brief material subroutine for adiabatic temperature evolution !> @brief material subroutine for adiabatic temperature evolution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module thermal_adiabatic module thermal_adiabatic
use prec, only: & use prec
pReal use config
use numerics
use material
use source_thermal_dissipation
use source_thermal_externalheat
use crystallite
use lattice
use mesh
implicit none implicit none
private private
@ -21,7 +28,7 @@ module thermal_adiabatic
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
temperature_ID temperature_ID
end enum end enum
integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & integer(kind(undefined_ID)), dimension(:,:), allocatable :: &
thermal_adiabatic_outputID !< ID of each post result output thermal_adiabatic_outputID !< ID of each post result output
@ -41,21 +48,6 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_adiabatic_init subroutine thermal_adiabatic_init
use material, only: &
thermal_type, &
thermal_typeInstance, &
homogenization_Noutput, &
THERMAL_ADIABATIC_label, &
THERMAL_adiabatic_ID, &
material_homogenizationAt, &
mappingHomogenization, &
thermalState, &
thermalMapping, &
thermal_initialT, &
temperature, &
temperatureRate
use config, only: &
config_homogenization
integer :: maxNinstance,section,instance,i,sizeState,NofMyHomog integer :: maxNinstance,section,instance,i,sizeState,NofMyHomog
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
@ -112,16 +104,6 @@ end subroutine thermal_adiabatic_init
!> @brief calculates adiabatic change in temperature based on local heat generation model !> @brief calculates adiabatic change in temperature based on local heat generation model
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function thermal_adiabatic_updateState(subdt, ip, el) function thermal_adiabatic_updateState(subdt, ip, el)
use numerics, only: &
err_thermal_tolAbs, &
err_thermal_tolRel
use material, only: &
material_homogenizationAt, &
mappingHomogenization, &
thermalState, &
temperature, &
temperatureRate, &
thermalMapping
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -156,28 +138,11 @@ function thermal_adiabatic_updateState(subdt, ip, el)
end function thermal_adiabatic_updateState end function thermal_adiabatic_updateState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns heat generation rate !> @brief returns heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el) subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
use material, only: &
homogenization_Ngrains, &
material_homogenizationAt, &
mappingHomogenization, &
phaseAt, &
phasememberAt, &
thermal_typeInstance, &
phase_Nsources, &
phase_source, &
SOURCE_thermal_dissipation_ID, &
SOURCE_thermal_externalheat_ID
use source_thermal_dissipation, only: &
source_thermal_dissipation_getRateAndItsTangent
use source_thermal_externalheat, only: &
source_thermal_externalheat_getRateAndItsTangent
use crystallite, only: &
crystallite_S, &
crystallite_Lp
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -231,17 +196,11 @@ subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
end subroutine thermal_adiabatic_getSourceAndItsTangent end subroutine thermal_adiabatic_getSourceAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns homogenized specific heat capacity !> @brief returns homogenized specific heat capacity
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function thermal_adiabatic_getSpecificHeat(ip,el) function thermal_adiabatic_getSpecificHeat(ip,el)
use lattice, only: &
lattice_specificHeat
use material, only: &
homogenization_Ngrains, &
material_phase
use mesh, only: &
mesh_element
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -270,13 +229,6 @@ end function thermal_adiabatic_getSpecificHeat
!> @brief returns homogenized mass density !> @brief returns homogenized mass density
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function thermal_adiabatic_getMassDensity(ip,el) function thermal_adiabatic_getMassDensity(ip,el)
use lattice, only: &
lattice_massDensity
use material, only: &
homogenization_Ngrains, &
material_phase
use mesh, only: &
mesh_element
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -304,8 +256,6 @@ end function thermal_adiabatic_getMassDensity
!> @brief return array of thermal results !> @brief return array of thermal results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function thermal_adiabatic_postResults(homog,instance,of) result(postResults) function thermal_adiabatic_postResults(homog,instance,of) result(postResults)
use material, only: &
temperature
integer, intent(in) :: & integer, intent(in) :: &
homog, & homog, &