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added doxygen comments, some polishing, added "protected" statements where applicable

This commit is contained in:
Martin Diehl 2012-10-02 12:53:25 +00:00
parent 6301787df4
commit 0bcb8f59db
6 changed files with 129 additions and 131 deletions
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14
code/CPFEM.f90
View File

@ -1,7 +1,7 @@
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH ! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
! !
! This file is part of DAMASK, ! This file is part of DAMASK,
! the Düsseldorf Advanced MAterial Simulation Kit. ! the Düsseldorf Advanced Material Simulation Kit.
! !
! DAMASK is free software: you can redistribute it and/or modify ! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by ! it under the terms of the GNU General Public License as published by
@ -29,13 +29,13 @@ implicit none
real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, & real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, &
CPFEM_odd_jacobian = 1e50_pReal CPFEM_odd_jacobian = 1e50_pReal
real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs ! Cauchy stress real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs !> Cauchy stress
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE ! Cauchy stress tangent real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE !> Cauchy stress tangent
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood ! known good tangent real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood !> known good tangent
logical :: CPFEM_init_done = .false., & ! remember whether init has been done already logical :: CPFEM_init_done = .false., & !> remember whether init has been done already
CPFEM_init_inProgress = .false., & ! remember whether first IP is currently performing init CPFEM_init_inProgress = .false., & !> remember whether first IP is currently performing init
CPFEM_calc_done = .false. ! remember whether first IP has already calced the results CPFEM_calc_done = .false. !> remember whether first IP has already calced the results
CONTAINS CONTAINS

146
code/constitutive.f90
View File

@ -16,42 +16,41 @@
! You should have received a copy of the GNU General Public License ! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>. ! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
! !
!############################################################## !--------------------------------------------------------------------------------------------------
!* $Id$ !* $Id$
!************************************ !--------------------------------------------------------------------------------------------------
!* Module: CONSTITUTIVE * !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!************************************ !! Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!* contains: * !> @brief elasticity, plasticity, internal microstructure state
!* - constitutive equations * !--------------------------------------------------------------------------------------------------
!* - parameters definition *
!************************************
MODULE constitutive module constitutive
use prec, only: pInt, p_vec use prec, only: pInt, p_vec
implicit none implicit none
!private
type(p_vec), dimension(:,:,:), allocatable :: & type(p_vec), dimension(:,:,:), allocatable :: &
constitutive_state0, & ! pointer array to microstructure at start of FE inc constitutive_state0, & !< pointer array to microstructure at start of FE inc
constitutive_partionedState0, & ! pointer array to microstructure at start of homogenization inc constitutive_partionedState0, & !< pointer array to microstructure at start of homogenization inc
constitutive_subState0, & ! pointer array to microstructure at start of crystallite inc constitutive_subState0, & !< pointer array to microstructure at start of crystallite inc
constitutive_state, & ! pointer array to current microstructure (end of converged time step) constitutive_state, & !< pointer array to current microstructure (end of converged time step)
constitutive_state_backup, & ! pointer array to backed up microstructure (end of converged time step) constitutive_state_backup, & !< pointer array to backed up microstructure (end of converged time step)
constitutive_dotState, & ! pointer array to evolution of current microstructure constitutive_dotState, & !< pointer array to evolution of current microstructure
constitutive_deltaState, & ! pointer array to incremental change of current microstructure constitutive_deltaState, & !< pointer array to incremental change of current microstructure
constitutive_previousDotState,& ! pointer array to previous evolution of current microstructure constitutive_previousDotState,& !< pointer array to previous evolution of current microstructure
constitutive_previousDotState2,& ! pointer array to 2nd previous evolution of current microstructure constitutive_previousDotState2,& !< pointer array to 2nd previous evolution of current microstructure
constitutive_dotState_backup, & ! pointer array to backed up evolution of current microstructure constitutive_dotState_backup, & !< pointer array to backed up evolution of current microstructure
constitutive_RK4dotState, & ! pointer array to evolution of microstructure defined by classical Runge-Kutta method constitutive_RK4dotState, & !< pointer array to evolution of microstructure defined by classical Runge-Kutta method
constitutive_aTolState ! pointer array to absolute state tolerance constitutive_aTolState !< pointer array to absolute state tolerance
type(p_vec), dimension(:,:,:,:), allocatable :: & type(p_vec), dimension(:,:,:,:), allocatable :: &
constitutive_RKCK45dotState ! pointer array to evolution of microstructure used by Cash-Karp Runge-Kutta method constitutive_RKCK45dotState !< pointer array to evolution of microstructure used by Cash-Karp Runge-Kutta method
integer(pInt), dimension(:,:,:), allocatable :: & integer(pInt), dimension(:,:,:), allocatable :: &
constitutive_sizeDotState, & ! size of dotState array constitutive_sizeDotState, & !< size of dotState array
constitutive_sizeState, & ! size of state array per grain constitutive_sizeState, & !< size of state array per grain
constitutive_sizePostResults ! size of postResults array per grain constitutive_sizePostResults !< size of postResults array per grain
integer(pInt) :: & integer(pInt) :: &
constitutive_maxSizeDotState, & constitutive_maxSizeDotState, &
@ -60,27 +59,28 @@ integer(pInt) :: &
character (len=*), parameter, public :: constitutive_hooke_label = 'hooke' character (len=*), parameter, public :: constitutive_hooke_label = 'hooke'
public :: &
constitutive_init, &
constitutive_homogenizedC, &
constitutive_averageBurgers, &
constitutive_microstructure, &
constitutive_LpAndItsTangent, &
constitutive_TandItsTangent, &
constitutive_collectDotState, &
constitutive_collectDeltaState, &
constitutive_postResults
private :: &
constitutive_hooke_TandItsTangent
contains contains
!****************************************
!* - constitutive_init
!* - constitutive_homogenizedC
!* - constitutive_averageBurgers
!* - constitutive_microstructure
!* - constitutive_LpAndItsTangent
!* - constitutive_TandItsTangent
!* - constitutive_hooke_TandItsTangent
!* - constitutive_collectDotState
!* - constitutive_collectDeltaState
!* - constitutive_collectDotTemperature
!* - constitutive_postResults
!****************************************
!************************************** !--------------------------------------------------------------------------------------------------
!* Module initialization * !> @brief allocates arrays pointing to array of the various constitutive modules
!************************************** !--------------------------------------------------------------------------------------------------
subroutine constitutive_init subroutine constitutive_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
debug_levelBasic debug_levelBasic
@ -113,12 +113,12 @@ subroutine constitutive_init
implicit none implicit none
integer(pInt), parameter :: fileunit = 200_pInt integer(pInt), parameter :: fileunit = 200_pInt
integer(pInt) g, & ! grain number integer(pInt) g, & ! grain number
i, & ! integration point number i, & ! integration point number
e, & ! element number e, & ! element number
gMax, & ! maximum number of grains gMax, & ! maximum number of grains
iMax, & ! maximum number of integration points iMax, & ! maximum number of integration points
eMax, & ! maximum number of elements eMax, & ! maximum number of elements
p, & p, &
s, & s, &
myInstance,& myInstance,&
@ -447,18 +447,18 @@ constitutive_maxSizePostResults = maxval(constitutive_sizePostResults)
call flush(6) call flush(6)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endsubroutine end subroutine constitutive_init
function constitutive_homogenizedC(ipc,ip,el)
!********************************************************************* !*********************************************************************
!* This function returns the homogenized elacticity matrix * !* This function returns the homogenized elacticity matrix *
!* INPUT: * !* INPUT: *
!* - state : state variables *
!* - ipc : component-ID of current integration point * !* - ipc : component-ID of current integration point *
!* - ip : current integration point * !* - ip : current integration point *
!* - el : current element * !* - el : current element *
!********************************************************************* !*********************************************************************
function constitutive_homogenizedC(ipc,ip,el)
use prec, only: pReal use prec, only: pReal
use material, only: phase_plasticity,material_phase use material, only: phase_plasticity,material_phase
use constitutive_none use constitutive_none
@ -494,10 +494,9 @@ function constitutive_homogenizedC(ipc,ip,el)
end select end select
return end function constitutive_homogenizedC
endfunction
function constitutive_averageBurgers(ipc,ip,el)
!********************************************************************* !*********************************************************************
!* This function returns the average length of Burgers vector * !* This function returns the average length of Burgers vector *
!* INPUT: * !* INPUT: *
@ -506,6 +505,8 @@ function constitutive_averageBurgers(ipc,ip,el)
!* - ip : current integration point * !* - ip : current integration point *
!* - el : current element * !* - el : current element *
!********************************************************************* !*********************************************************************
function constitutive_averageBurgers(ipc,ip,el)
use prec, only: pReal use prec, only: pReal
use material, only: phase_plasticity,material_phase use material, only: phase_plasticity,material_phase
use constitutive_none use constitutive_none
@ -541,8 +542,7 @@ function constitutive_averageBurgers(ipc,ip,el)
end select end select
return end function constitutive_averageBurgers
endfunction
@ -630,15 +630,15 @@ use constitutive_nonlocal, only: constitutive_nonlocal_label, &
implicit none implicit none
!*** input variables ***! !*** input variables ***!
integer(pInt), intent(in):: ipc, & ! component-ID of current integration point integer(pInt), intent(in):: ipc, & ! component-ID of current integration point
ip, & ! current integration point ip, & ! current integration point
el ! current element el ! current element
real(pReal), intent(in) :: Temperature real(pReal), intent(in) :: Temperature
real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress
!*** output variables ***! !*** output variables ***!
real(pReal), dimension(3,3), intent(out) :: Lp ! plastic velocity gradient real(pReal), dimension(3,3), intent(out) :: Lp ! plastic velocity gradient
real(pReal), dimension(9,9), intent(out) :: dLp_dTstar ! derivative of Lp with respect to Tstar (4th-order tensor) real(pReal), dimension(9,9), intent(out) :: dLp_dTstar ! derivative of Lp with respect to Tstar (4th-order tensor)
!*** local variables ***! !*** local variables ***!
@ -666,7 +666,7 @@ select case (phase_plasticity(material_phase(ipc,ip,el)))
end select end select
endsubroutine end subroutine constitutive_LpAndItsTangent
@ -700,9 +700,7 @@ subroutine constitutive_TandItsTangent(T, dT_dFe, Fe, ipc, ip, el)
end select end select
return end subroutine constitutive_TandItsTangent
endsubroutine constitutive_TandItsTangent
@ -831,7 +829,7 @@ if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) then
!$OMP END CRITICAL (debugTimingDotState) !$OMP END CRITICAL (debugTimingDotState)
endif endif
endsubroutine end subroutine constitutive_collectDotState
!********************************************************************* !*********************************************************************
@ -914,7 +912,7 @@ if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) then
!$OMP END CRITICAL (debugTimingDeltaState) !$OMP END CRITICAL (debugTimingDeltaState)
endif endif
endsubroutine end subroutine constitutive_collectDeltaState
@ -999,11 +997,10 @@ if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) then
!$OMP END CRITICAL (debugTimingDotTemperature) !$OMP END CRITICAL (debugTimingDotTemperature)
endif endif
endfunction end function constitutive_dotTemperature
function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
!********************************************************************* !*********************************************************************
!* return array of constitutive results * !* return array of constitutive results *
!* INPUT: * !* INPUT: *
@ -1013,6 +1010,7 @@ function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
!* - ip : current integration point * !* - ip : current integration point *
!* - el : current element * !* - el : current element *
!********************************************************************* !*********************************************************************
function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
use prec, only: pReal use prec, only: pReal
use mesh, only: mesh_NcpElems, & use mesh, only: mesh_NcpElems, &
mesh_maxNips mesh_maxNips
@ -1073,7 +1071,7 @@ select case (phase_plasticity(material_phase(ipc,ip,el)))
constitutive_dotstate(ipc,ip,el), ipc, ip, el) constitutive_dotstate(ipc,ip,el), ipc, ip, el)
end select end select
endfunction end function constitutive_postResults
END MODULE end module constitutive

28
code/crystallite.f90
View File

@ -554,14 +554,14 @@ if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt&
.and. debug_i > 0 .and. debug_i <= mesh_maxNips & .and. debug_i > 0 .and. debug_i <= mesh_maxNips &
.and. debug_g > 0 .and. debug_g <= homogenization_maxNgrains) then .and. debug_g > 0 .and. debug_g <= homogenization_maxNgrains) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) write(6,*)
write (6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> crystallite start at el ip g ', debug_e, debug_i, debug_g write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> crystallite start at el ip g ', debug_e, debug_i, debug_g
write (6,'(a,/,12x,f14.9)') '<< CRYST >> Temp0', crystallite_partionedTemperature0(debug_g,debug_i,debug_e) write(6,'(a,/,12x,f14.9)') '<< CRYST >> Temp0', crystallite_partionedTemperature0(debug_g,debug_i,debug_e)
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F0 ', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F0 ', &
math_transpose33(crystallite_partionedF0(1:3,1:3,debug_g,debug_i,debug_e)) math_transpose33(crystallite_partionedF0(1:3,1:3,debug_g,debug_i,debug_e))
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp0', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp0', &
math_transpose33(crystallite_partionedFp0(1:3,1:3,debug_g,debug_i,debug_e)) math_transpose33(crystallite_partionedFp0(1:3,1:3,debug_g,debug_i,debug_e))
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp0', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp0', &
math_transpose33(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e)) math_transpose33(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
@ -720,8 +720,8 @@ enddo
if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway) if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
#ifndef _OPENMP #ifndef _OPENMP
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write (6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence : respond fully elastic at el ip g ',e,i,g write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence : respond fully elastic at el ip g ',e,i,g
write (6,*) write(6,*)
endif endif
#endif #endif
invFp = math_inv33(crystallite_partionedFp0(1:3,1:3,g,i,e)) invFp = math_inv33(crystallite_partionedFp0(1:3,1:3,g,i,e))
@ -734,12 +734,12 @@ enddo
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt & if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) & .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then .or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then
write (6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g
write (6,*) write(6,*)
write (6,'(a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', math_transpose33(crystallite_P(1:3,1:3,g,i,e))/1.0e6_pReal write(6,'(a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', math_transpose33(crystallite_P(1:3,1:3,g,i,e))/1.0e6_pReal
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp', math_transpose33(crystallite_Fp(1:3,1:3,g,i,e)) write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp', math_transpose33(crystallite_Fp(1:3,1:3,g,i,e))
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp', math_transpose33(crystallite_Lp(1:3,1:3,g,i,e)) write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp', math_transpose33(crystallite_Lp(1:3,1:3,g,i,e))
write (6,*) write(6,*)
endif endif
#endif #endif
enddo enddo

16
code/homogenization.f90
View File

@ -322,13 +322,13 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt .and. & if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt .and. &
debug_e > 0 .and. debug_e <= mesh_NcpElems .and. debug_i > 0 .and. debug_i <= mesh_maxNips) then debug_e > 0 .and. debug_e <= mesh_NcpElems .and. debug_i > 0 .and. debug_i <= mesh_maxNips) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) write(6,*)
write (6,'(a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i write(6,'(a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i
write (6,'(a,/,12x,f14.9)') '<< HOMOG >> Temp0', & write(6,'(a,/,12x,f14.9)') '<< HOMOG >> Temp0', &
materialpoint_Temperature(debug_i,debug_e) materialpoint_Temperature(debug_i,debug_e)
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', &
math_transpose33(materialpoint_F0(1:3,1:3,debug_i,debug_e)) math_transpose33(materialpoint_F0(1:3,1:3,debug_i,debug_e))
write (6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', &
math_transpose33(materialpoint_F(1:3,1:3,debug_i,debug_e)) math_transpose33(materialpoint_F(1:3,1:3,debug_i,debug_e))
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
@ -553,9 +553,9 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
else else
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) write(6,*)
write (6,'(a)') '<< HOMOG >> Material Point terminally ill' write(6,'(a)') '<< HOMOG >> Material Point terminally ill'
write (6,*) write(6,*)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
return return

14
code/lattice.f90
View File

@ -45,38 +45,38 @@ module lattice
lattice_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures lattice_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
lattice_maxNinteraction = 30_pInt !< max # of interaction types (in hardening matrix part) lattice_maxNinteraction = 30_pInt !< max # of interaction types (in hardening matrix part)
integer(pInt), allocatable, dimension(:,:), public :: & integer(pInt), allocatable, dimension(:,:), protected, public :: &
lattice_NslipSystem, & !< # of slip systems in each family lattice_NslipSystem, & !< # of slip systems in each family
lattice_NtwinSystem !< # of twin systems in each family lattice_NtwinSystem !< # of twin systems in each family
integer(pInt), allocatable, dimension(:,:,:), public :: & integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
lattice_interactionSlipSlip, & !< interaction type between slip/slip lattice_interactionSlipSlip, & !< interaction type between slip/slip
lattice_interactionSlipTwin, & !< interaction type between slip/twin lattice_interactionSlipTwin, & !< interaction type between slip/twin
lattice_interactionTwinSlip, & !< interaction type between twin/slip lattice_interactionTwinSlip, & !< interaction type between twin/slip
lattice_interactionTwinTwin !< interaction type between twin/twin lattice_interactionTwinTwin !< interaction type between twin/twin
real(pReal), allocatable, dimension(:,:,:,:), public :: & real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
lattice_Sslip !< Schmid matrices, normal, shear direction and d x n of slip systems lattice_Sslip !< Schmid matrices, normal, shear direction and d x n of slip systems
real(pReal), allocatable, dimension(:,:,:), public :: & real(pReal), allocatable, dimension(:,:,:), protected, public :: &
lattice_Sslip_v, & lattice_Sslip_v, &
lattice_sn, & lattice_sn, &
lattice_sd, & lattice_sd, &
lattice_st lattice_st
! rotation and Schmid matrices, normal, shear direction and d x n of twin systems ! rotation and Schmid matrices, normal, shear direction and d x n of twin systems
real(pReal), allocatable, dimension(:,:,:,:), public :: & real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
lattice_Stwin, & lattice_Stwin, &
lattice_Qtwin lattice_Qtwin
real(pReal), allocatable, dimension(:,:,:), public :: & real(pReal), allocatable, dimension(:,:,:), protected, public :: &
lattice_Stwin_v, & lattice_Stwin_v, &
lattice_tn, & lattice_tn, &
lattice_td, & lattice_td, &
lattice_tt lattice_tt
real(pReal), allocatable, dimension(:,:), public :: & real(pReal), allocatable, dimension(:,:), protected, public :: &
lattice_shearTwin !< characteristic twin shear lattice_shearTwin !< characteristic twin shear
integer(pInt), private :: & integer(pInt), private :: &

42
code/material.f90
View File

@ -155,31 +155,31 @@ subroutine material_init
call material_parseHomogenization(fileunit,material_partHomogenization) call material_parseHomogenization(fileunit,material_partHomogenization)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) 'Homogenization parsed' write(6,*) 'Homogenization parsed'
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
call material_parseMicrostructure(fileunit,material_partMicrostructure) call material_parseMicrostructure(fileunit,material_partMicrostructure)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) 'Microstructure parsed' write(6,*) 'Microstructure parsed'
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
call material_parseCrystallite(fileunit,material_partCrystallite) call material_parseCrystallite(fileunit,material_partCrystallite)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) 'Crystallite parsed' write(6,*) 'Crystallite parsed'
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
call material_parseTexture(fileunit,material_partTexture) call material_parseTexture(fileunit,material_partTexture)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) 'Texture parsed' write(6,*) 'Texture parsed'
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
call material_parsePhase(fileunit,material_partPhase) call material_parsePhase(fileunit,material_partPhase)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) 'Phase parsed' write(6,*) 'Phase parsed'
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
close(fileunit) close(fileunit)
@ -202,27 +202,27 @@ subroutine material_init
enddo enddo
if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) write(6,*)
write (6,*) 'MATERIAL configuration' write(6,*) 'MATERIAL configuration'
write (6,*) write(6,*)
write (6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains' write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains'
do i = 1_pInt,material_Nhomogenization do i = 1_pInt,material_Nhomogenization
write (6,'(1x,a32,1x,a16,1x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i) write(6,'(1x,a32,1x,a16,1x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i)
enddo enddo
write (6,*) write(6,*)
write (6,'(a32,1x,a11,1x,a12,1x,a13)') 'microstructure ','crystallite','constituents','homogeneous' write(6,'(a32,1x,a11,1x,a12,1x,a13)') 'microstructure ','crystallite','constituents','homogeneous'
do i = 1_pInt,material_Nmicrostructure do i = 1_pInt,material_Nmicrostructure
write (6,'(a32,4x,i4,8x,i4,8x,l1)') microstructure_name(i), & write(6,'(a32,4x,i4,8x,i4,8x,l1)') microstructure_name(i), &
microstructure_crystallite(i), & microstructure_crystallite(i), &
microstructure_Nconstituents(i), & microstructure_Nconstituents(i), &
microstructure_elemhomo(i) microstructure_elemhomo(i)
if (microstructure_Nconstituents(i) > 0_pInt) then if (microstructure_Nconstituents(i) > 0_pInt) then
do j = 1_pInt,microstructure_Nconstituents(i) do j = 1_pInt,microstructure_Nconstituents(i)
write (6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',phase_name(microstructure_phase(j,i)),& write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',phase_name(microstructure_phase(j,i)),&
texture_name(microstructure_texture(j,i)),& texture_name(microstructure_texture(j,i)),&
microstructure_fraction(j,i) microstructure_fraction(j,i)
enddo enddo
write (6,*) write(6,*)
endif endif
enddo enddo
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
@ -744,10 +744,10 @@ subroutine material_populateGrains
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) write(6,*)
write (6,*) 'MATERIAL grain population' write(6,*) 'MATERIAL grain population'
write (6,*) write(6,*)
write (6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#' write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
do homog = 1_pInt,material_Nhomogenization ! loop over homogenizations do homog = 1_pInt,material_Nhomogenization ! loop over homogenizations
@ -757,8 +757,8 @@ subroutine material_populateGrains
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) write(6,*)
write (6,'(a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains write(6,'(a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif