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modifying storing of orientations; 

needed for nonlocal, and also to remove the use if ip,el at homogenization level.
ip, el should be used only for looping eventually.
This commit is contained in:
Sharan Roongta 2021-02-22 18:32:31 +01:00
parent 2f9d891fdd
commit e249168189
7 changed files with 62 additions and 43 deletions
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6
src/homogenization.f90
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@ -536,13 +536,15 @@ function damage_nonlocal_getDiffusion(ip,el)
damage_nonlocal_getDiffusion
integer :: &
homog, &
grain
grain, &
ce
homog = material_homogenizationAt(el)
damage_nonlocal_getDiffusion = 0.0_pReal
ce = (el-1)*discretization_nIPs + ip
do grain = 1, homogenization_Nconstituents(homog)
damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
crystallite_push33ToRef(grain,ip,el,lattice_D(1:3,1:3,material_phaseAt(grain,el)))
crystallite_push33ToRef(grain,ce,lattice_D(1:3,1:3,material_phaseAt2(grain,ce)))
enddo
damage_nonlocal_getDiffusion = &

10
src/homogenization_mechanical.f90
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@ -153,13 +153,13 @@ module subroutine mechanical_homogenize(dt,ip,el)
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
homogenization_P(1:3,1:3,ce) = phase_mechanical_getP(1,ip,el)
homogenization_P(1:3,1:3,ce) = phase_mechanical_getP(1,ce)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(dt,1,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ce)
enddo
call mechanical_isostrain_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), &
@ -170,7 +170,7 @@ module subroutine mechanical_homogenize(dt,ip,el)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ce)
enddo
call mechanical_RGC_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), &
@ -208,8 +208,8 @@ module function mechanical_updateState(subdt,subF,ce,ip,el) result(doneAndHappy)
if (homogenization_type(material_homogenizationAt2(ce)) == HOMOGENIZATION_RGC_ID) then
do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(subdt,co,ip,el)
Fs(:,:,co) = phase_mechanical_getF(co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
Fs(:,:,co) = phase_mechanical_getF(co,ce)
Ps(:,:,co) = phase_mechanical_getP(co,ce)
enddo
doneAndHappy = mechanical_RGC_updateState(Ps,Fs,subF,subdt,dPdFs,ce)
else

11
src/homogenization_thermal.f90
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@ -107,16 +107,17 @@ module function thermal_conduction_getConductivity(ip,el) result(K)
real(pReal), dimension(3,3) :: K
integer :: &
co
co, &
ce
K = 0.0_pReal
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
K = K + crystallite_push33ToRef(co,ip,el,lattice_K(:,:,material_phaseAt(co,el)))
ce = (el-1)*discretization_nIPs + ip
do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
K = K + crystallite_push33ToRef(co,ce,lattice_K(:,:,material_phaseAt2(co,ce)))
enddo
K = K / real(homogenization_Nconstituents(material_homogenizationAt(el)),pReal)
K = K / real(homogenization_Nconstituents(material_homogenizationAt2(ce)),pReal)
end function thermal_conduction_getConductivity

8
src/material.f90
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@ -39,9 +39,6 @@ module material
integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,IP,elem)
material_phaseMemberAt !< position of the element within its phase instance
type(Rotation), dimension(:,:,:), allocatable, public, protected :: &
material_orientation0 !< initial orientation of each grain,IP,element
public :: &
material_init
@ -125,8 +122,6 @@ subroutine material_parseMaterial
allocate(material_phaseAt2(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0)
allocate(material_phaseMemberAt2(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0)
allocate(material_orientation0(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems))
do el = 1, discretization_Nelems
material => materials%get(discretization_materialAt(el))
constituents => material%get('constituents')
@ -135,7 +130,7 @@ subroutine material_parseMaterial
do ip = 1, discretization_nIPs
ce = (el-1)*discretization_nIPs + ip
counterHomogenization(material_homogenizationAt(el)) = counterHomogenization(material_homogenizationAt(el)) + 1
material_homogenizationMemberAt(ip,el) = counterHomogenization(material_homogenizationAt(el))
material_homogenizationMemberAt(ip,el) = counterHomogenization(material_homogenizationAt(el))
material_homogenizationAt2(ce) = material_homogenizationAt(el)
material_homogenizationMemberAt2(ce) = material_homogenizationMemberAt(ip,el)
enddo
@ -153,7 +148,6 @@ subroutine material_parseMaterial
material_phaseAt2(co,ce) = material_phaseAt(co,el)
material_phaseMemberAt2(co,ce) = material_phaseMemberAt(co,ip,el)
call material_orientation0(co,ip,el)%fromQuaternion(constituent%get_asFloats('O',requiredSize=4)) ! should be done in crystallite
enddo
enddo

32
src/phase.f90
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@ -19,6 +19,9 @@ module phase
implicit none
private
type(Rotation), dimension(:,:,:), allocatable, protected :: &
material_orientation0 !< initial orientation of each grain,IP,element
type(rotation), dimension(:,:,:), allocatable :: &
crystallite_orientation !< current orientation
@ -77,8 +80,8 @@ module phase
interface
! == cleaned:begin =================================================================================
module subroutine mechanical_init(phases)
class(tNode), pointer :: phases
module subroutine mechanical_init(materials,phases)
class(tNode), pointer :: materials,phases
end subroutine mechanical_init
module subroutine damage_init
@ -147,8 +150,8 @@ module phase
real(pReal), dimension(3,3) :: L_p
end function mechanical_L_p
module function phase_mechanical_getF(co,ip,el) result(F)
integer, intent(in) :: co, ip, el
module function phase_mechanical_getF(co,ce) result(F)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: F
end function phase_mechanical_getF
@ -157,8 +160,8 @@ module phase
real(pReal), dimension(3,3) :: F_e
end function mechanical_F_e
module function phase_mechanical_getP(co,ip,el) result(P)
integer, intent(in) :: co, ip, el
module function phase_mechanical_getP(co,ce) result(P)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: P
end function phase_mechanical_getP
@ -342,6 +345,7 @@ subroutine phase_init
so !< counter in source loop
class (tNode), pointer :: &
debug_constitutive, &
materials, &
phases
@ -356,9 +360,10 @@ subroutine phase_init
debugConstitutive%grain = config_debug%get_asInt('grain',defaultVal = 1)
materials => config_material%get('material')
phases => config_material%get('phase')
call mechanical_init(phases)
call mechanical_init(materials,phases)
call damage_init
call thermal_init(phases)
@ -624,19 +629,20 @@ end subroutine crystallite_orientations
!--------------------------------------------------------------------------------------------------
!> @brief Map 2nd order tensor to reference config
!--------------------------------------------------------------------------------------------------
function crystallite_push33ToRef(co,ip,el, tensor33)
function crystallite_push33ToRef(co,ce, tensor33)
real(pReal), dimension(3,3), intent(in) :: tensor33
integer, intent(in):: &
el, &
ip, &
co
co, &
ce
real(pReal), dimension(3,3) :: crystallite_push33ToRef
real(pReal), dimension(3,3) :: T
integer :: ph, me
T = matmul(material_orientation0(co,ip,el)%asMatrix(),transpose(math_inv33(phase_mechanical_getF(co,ip,el)))) ! ToDo: initial orientation correct?
ph = material_phaseAt2(co,ce)
me = material_phaseMemberAt2(co,ce)
T = matmul(material_orientation0(co,ph,me)%asMatrix(),transpose(math_inv33(phase_mechanical_getF(co,ce)))) ! ToDo: initial orientation correct?
crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))

29
src/phase_mechanical.f90
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@ -177,21 +177,26 @@ contains
!> @brief Initialize mechanical field related constitutive models
!> @details Initialize elasticity, plasticity and stiffness degradation models.
!--------------------------------------------------------------------------------------------------
module subroutine mechanical_init(phases)
module subroutine mechanical_init(materials,phases)
class(tNode), pointer :: &
materials, &
phases
integer :: &
el, &
ip, &
co, &
ce, &
ph, &
me, &
stiffDegradationCtr, &
Nconstituents
class(tNode), pointer :: &
num_crystallite, &
material, &
constituents, &
constituent, &
phase, &
mech, &
elastic, &
@ -221,6 +226,8 @@ module subroutine mechanical_init(phases)
allocate(phase_mechanical_P(phases%length))
allocate(phase_mechanical_S0(phases%length))
allocate(material_orientation0(homogenization_maxNconstituents,phases%length,maxval(material_phaseMemberAt)))
do ph = 1, phases%length
Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
@ -271,14 +278,20 @@ module subroutine mechanical_init(phases)
enddo
endif
!$OMP PARALLEL DO PRIVATE(ph,me)
do el = 1, size(material_phaseMemberAt,3); do ip = 1, size(material_phaseMemberAt,2)
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
material => materials%get(discretization_materialAt(el))
constituents => material%get('constituents')
constituent => constituents%get(co)
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = material_orientation0(co,ip,el)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
call material_orientation0(co,ph,me)%fromQuaternion(constituent%get_asFloats('O',requiredSize=4))
phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = material_orientation0(co,ph,me)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = phase_mechanical_Fp0(ph)%data(1:3,1:3,me) &
/ math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,me))**(1.0_pReal/3.0_pReal)
phase_mechanical_Fi0(ph)%data(1:3,1:3,me) = math_I3
@ -1440,13 +1453,13 @@ end function mechanical_L_p
!----------------------------------------------------------------------------------------------
!< @brief Get deformation gradient (for use by homogenization)
!----------------------------------------------------------------------------------------------
module function phase_mechanical_getF(co,ip,el) result(F)
module function phase_mechanical_getF(co,ce) result(F)
integer, intent(in) :: co, ip, el
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: F
F = phase_mechanical_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
F = phase_mechanical_F(material_phaseAt2(co,ce))%data(1:3,1:3,material_phaseMemberAt2(co,ce))
end function phase_mechanical_getF
@ -1469,13 +1482,13 @@ end function mechanical_F_e
!----------------------------------------------------------------------------------------------
!< @brief Get second Piola-Kichhoff stress (for use by homogenization)
!----------------------------------------------------------------------------------------------
module function phase_mechanical_getP(co,ip,el) result(P)
module function phase_mechanical_getP(co,ce) result(P)
integer, intent(in) :: co, ip, el
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: P
P = phase_mechanical_P(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
P = phase_mechanical_P(material_phaseAt2(co,ce))%data(1:3,1:3,material_phaseMemberAt2(co,ce))
end function phase_mechanical_getP

9
src/phase_mechanical_plastic_nonlocal.f90
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@ -1403,8 +1403,10 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
integer :: &
n, & ! neighbor index
me, &
neighbor_e, & ! element index of my neighbor
neighbor_i, & ! integration point index of my neighbor
neighbor_me, &
neighbor_phase, &
ns, & ! number of active slip systems
s1, & ! slip system index (me)
@ -1422,6 +1424,7 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
associate(prm => param(ph))
ns = prm%sum_N_sl
me = material_phaseMemberAt(1,i,e)
!*** start out fully compatible
my_compatibility = 0.0_pReal
forall(s1 = 1:ns) my_compatibility(:,s1,s1,:) = 1.0_pReal
@ -1429,7 +1432,7 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
neighbors: do n = 1,nIPneighbors
neighbor_e = IPneighborhood(1,n,i,e)
neighbor_i = IPneighborhood(2,n,i,e)
neighbor_me = material_phaseMemberAt(1,neighbor_i,neighbor_e)
neighbor_phase = material_phaseAt(1,neighbor_e)
if (neighbor_e <= 0 .or. neighbor_i <= 0) then
@ -1447,8 +1450,8 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
elseif (prm%chi_GB >= 0.0_pReal) then
!* GRAIN BOUNDARY !
!* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config)
if (any(dNeq(material_orientation0(1,i,e)%asQuaternion(), &
material_orientation0(1,neighbor_i,neighbor_e)%asQuaternion())) .and. &
if (any(dNeq(material_orientation0(1,ph,me)%asQuaternion(), &
material_orientation0(1,neighbor_phase,neighbor_me)%asQuaternion())) .and. &
(.not. phase_localPlasticity(neighbor_phase))) &
forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%chi_GB)
else