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initialization can be done internally

This commit is contained in:
Martin Diehl 2019-02-20 17:50:26 +01:00
parent eb394b3139
commit 871ba90654
2 changed files with 106 additions and 207 deletions
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8
src/constitutive.f90
View File

@ -150,10 +150,8 @@ subroutine constitutive_init()
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
call plastic_nonlocal_init(FILEUNIT)
call plastic_nonlocal_stateInit()
endif
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) call plastic_nonlocal_init(FILEUNIT)
!--------------------------------------------------------------------------------------------------
! parse source mechanisms from config file
@ -392,7 +390,7 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
call plastic_disloUCLA_dependentState(instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_microstructure (Fe,Fp,ip,el)
call plastic_nonlocal_dependentState (Fe,Fp,ip,el)
end select plasticityType
end subroutine constitutive_microstructure

305
src/plastic_nonlocal.f90
View File

@ -48,12 +48,6 @@ module plastic_nonlocal
rhoSglRandomBinning
real(pReal), dimension(:,:), allocatable, private :: &
rhoSglEdgePos0, & !< initial edge_pos dislocation density
rhoSglEdgeNeg0, & !< initial edge_neg dislocation density
rhoSglScrewPos0, & !< initial screw_pos dislocation density
rhoSglScrewNeg0, & !< initial screw_neg dislocation density
rhoDipEdge0, & !< initial edge dipole dislocation density
rhoDipScrew0, & !< initial screw dipole dislocation density
lambda0PerSlipFamily, & !< mean free path prefactor
lambda0 !< mean free path prefactor
@ -236,8 +230,6 @@ module plastic_nonlocal
public :: &
plastic_nonlocal_init, &
plastic_nonlocal_stateInit, &
plastic_nonlocal_aTolState, &
plastic_nonlocal_dependentState, &
plastic_nonlocal_LpAndItsTangent, &
plastic_nonlocal_dotState, &
@ -352,12 +344,6 @@ allocate(rhoSglScatter(maxNinstances), source=0.0_pReal)
allocate(rhoSglRandom(maxNinstances), source=0.0_pReal)
allocate(rhoSglRandomBinning(maxNinstances), source=1.0_pReal)
allocate(rhoSglEdgePos0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoSglEdgeNeg0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoSglScrewPos0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoSglScrewNeg0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoDipEdge0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(rhoDipScrew0(lattice_maxNslipFamily,maxNinstances), source=-1.0_pReal)
allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNinstances), source=0.0_pReal)
@ -392,30 +378,6 @@ allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNinstances), s
do f = 1_pInt, Nchunks_SlipFamilies
Nslip(f,instance) = IO_intValue(line,chunkPos,1_pInt+f)
enddo
case ('rhosgledgepos0')
do f = 1_pInt, Nchunks_SlipFamilies
rhoSglEdgePos0(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case ('rhosgledgeneg0')
do f = 1_pInt, Nchunks_SlipFamilies
rhoSglEdgeNeg0(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case ('rhosglscrewpos0')
do f = 1_pInt, Nchunks_SlipFamilies
rhoSglScrewPos0(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case ('rhosglscrewneg0')
do f = 1_pInt, Nchunks_SlipFamilies
rhoSglScrewNeg0(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case ('rhodipedge0')
do f = 1_pInt, Nchunks_SlipFamilies
rhoDipEdge0(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case ('rhodipscrew0')
do f = 1_pInt, Nchunks_SlipFamilies
rhoDipScrew0(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
enddo
case ('lambda0')
do f = 1_pInt, Nchunks_SlipFamilies
lambda0PerSlipFamily(f,instance) = IO_floatValue(line,chunkPos,1_pInt+f)
@ -437,21 +399,8 @@ allocate(lambda0PerSlipFamily(lattice_maxNslipFamily,maxNinstances), s
call IO_error(211_pInt,ext_msg='Nslip ('//PLASTICITY_NONLOCAL_label//')')
do f = 1_pInt,lattice_maxNslipFamily
if (Nslip(f,instance) > 0_pInt) then
if (rhoSglEdgePos0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoSglEdgePos0 ('//PLASTICITY_NONLOCAL_label//')')
if (rhoSglEdgeNeg0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoSglEdgeNeg0 ('//PLASTICITY_NONLOCAL_label//')')
if (rhoSglScrewPos0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoSglScrewPos0 ('//PLASTICITY_NONLOCAL_label//')')
if (rhoSglScrewNeg0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoSglScrewNeg0 ('//PLASTICITY_NONLOCAL_label//')')
if (rhoDipEdge0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoDipEdge0 ('//PLASTICITY_NONLOCAL_label//')')
if (rhoDipScrew0(f,instance) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg='rhoDipScrew0 ('//PLASTICITY_NONLOCAL_label//')')
if (lambda0PerSlipFamily(f,instance) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg='lambda0 ('//PLASTICITY_NONLOCAL_label//')')
endif
enddo
if (rhoSglScatter(instance) < 0.0_pReal) &
@ -622,17 +571,7 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
enddo
enddo
!*** combined projection of Schmid and non-Schmid contributions to the resolved shear stress (only for screws)
!* four types t:
!* 1) positive screw at positive resolved stress
!* 2) positive screw at negative resolved stress
!* 3) negative screw at positive resolved stress
!* 4) negative screw at negative resolved stress
call plastic_nonlocal_aTolState(phase,instance)
endif myPhase2
enddo initializeInstances
@ -793,6 +732,20 @@ extmsg = trim(extmsg)//' surfaceTransmissivity'
! if (peierlsStressPerSlipFamily(f,2,instance) <= 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='peierlsStressScrew ('//PLASTICITY_NONLOCAL_label//')')
! if (rhoSglEdgePos0(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='rhoSglEdgePos0 ('//PLASTICITY_NONLOCAL_label//')')
! if (rhoSglEdgeNeg0(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='rhoSglEdgeNeg0 ('//PLASTICITY_NONLOCAL_label//')')
! if (rhoSglScrewPos0(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='rhoSglScrewPos0 ('//PLASTICITY_NONLOCAL_label//')')
! if (rhoSglScrewNeg0(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='rhoSglScrewNeg0 ('//PLASTICITY_NONLOCAL_label//')')
! if (rhoDipEdge0(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='rhoDipEdge0 ('//PLASTICITY_NONLOCAL_label//')')
! if (rhoDipScrew0(f,instance) < 0.0_pReal) &
! call IO_error(211_pInt,ext_msg='rhoDipScrew0 ('//PLASTICITY_NONLOCAL_label//')')
outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1_pInt, size(outputs)
@ -976,151 +929,99 @@ plasticState(p)%aTolState(iGamma(1:ns,instance)) = prm%aTolShear
end associate
if (NofMyPhase > 0_pInt) call stateInit(p,NofMyPhase)
plasticState(p)%state0 = plasticState(p)%state
enddo
contains
subroutine stateInit(phase,NofMyPhase)
use math, only: &
math_sampleGaussVar
use mesh, only: &
theMesh, &
mesh_ipVolume
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none
integer(pInt),intent(in) ::&
phase, &
NofMyPhase
integer(pInt) :: &
e, &
i, &
f, &
from, &
upto, &
s, &
instance, &
phasemember
real(pReal), dimension(2) :: &
noise, &
rnd
real(pReal) :: &
meanDensity, &
totalVolume, &
densityBinning, &
minimumIpVolume
real(pReal), dimension(NofMyPhase) :: &
volume
instance = phase_plasticityInstance(phase)
associate(prm => param(instance), stt => state(instance))
! randomly distribute dislocation segments on random slip system and of random type in the volume
if (prm%rhoSglRandom > 0.0_pReal) then
! get the total volume of the instance
do e = 1_pInt,theMesh%nElems
do i = 1_pInt,theMesh%elem%nIPs
if (material_phase(1,i,e) == phase) volume(phasememberAt(1,i,e)) = mesh_ipVolume(i,e)
enddo
enddo
totalVolume = sum(volume)
minimumIPVolume = minval(volume)
densityBinning = prm%rhoSglRandomBinning / minimumIpVolume ** (2.0_pReal / 3.0_pReal)
! subsequently fill random ips with dislocation segments until we reach the desired overall density
meanDensity = 0.0_pReal
do while(meanDensity < prm%rhoSglRandom)
call random_number(rnd)
phasemember = nint(rnd(1)*real(NofMyPhase,pReal) + 0.5_pReal,pInt)
s = nint(rnd(2)*real(prm%totalNslip,pReal)*4.0_pReal + 0.5_pReal,pInt)
meanDensity = meanDensity + densityBinning * volume(phasemember) / totalVolume
stt%rhoSglMobile(s,phasemember) = densityBinning
enddo
! homogeneous distribution of density with some noise
else
do e = 1_pInt, NofMyPhase
do f = 1_pInt,size(prm%Nslip,1)
from = 1_pInt + sum(prm%Nslip(1:f-1_pInt))
upto = sum(prm%Nslip(1:f))
do s = from,upto
noise = [math_sampleGaussVar(0.0_pReal, prm%rhoSglScatter), &
math_sampleGaussVar(0.0_pReal, prm%rhoSglScatter)]
stt%rhoSglEdgeMobilePos(s,e) = prm%rhoSglEdgePos0(f) + noise(1)
stt%rhoSglEdgeMobileNeg(s,e) = prm%rhoSglEdgeNeg0(f) + noise(1)
stt%rhoSglScrewMobilePos(s,e) = prm%rhoSglScrewPos0(f) + noise(2)
stt%rhoSglScrewMobileNeg(s,e) = prm%rhoSglScrewNeg0(f) + noise(2)
enddo
stt%rhoDipEdge(from:upto,e) = prm%rhoDipEdge0(f)
stt%rhoDipScrew(from:upto,e) = prm%rhoDipScrew0(f)
enddo
enddo
endif
end associate
end subroutine stateInit
end subroutine plastic_nonlocal_init
!--------------------------------------------------------------------------------------------------
!> @brief sets the initial microstructural state for a given instance of this plasticity
!--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_stateInit()
use IO, only: IO_error
use lattice, only: lattice_maxNslipFamily
use math, only: math_sampleGaussVar
use mesh, only: mesh_ipVolume, &
theMesh
use material, only: material_phase, &
phase_plasticityInstance, &
plasticState, &
phaseAt, phasememberAt, &
phase_plasticity ,&
PLASTICITY_NONLOCAL_ID
implicit none
integer(pInt) :: e, &
i, &
ns, & ! short notation for total number of active slip systems
f, & ! index of lattice family
from, &
upto, &
s, & ! index of slip system
t, &
j, &
instance, &
maxNinstances
real(pReal), dimension(2) :: noise
real(pReal), dimension(4) :: rnd
real(pReal) meanDensity, &
totalVolume, &
densityBinning, &
minimumIpVolume
maxNinstances = int(count(phase_plasticity == PLASTICITY_NONLOCAL_ID),pInt)
do instance = 1_pInt,maxNinstances
ns = totalNslip(instance)
! randomly distribute dislocation segments on random slip system and of random type in the volume
if (rhoSglRandom(instance) > 0.0_pReal) then
! get the total volume of the instance
minimumIpVolume = huge(1.0_pReal)
totalVolume = 0.0_pReal
do e = 1_pInt,theMesh%nElems
do i = 1_pInt,theMesh%elem%nIPs
if (PLASTICITY_NONLOCAL_ID == phase_plasticity(material_phase(1,i,e)) &
.and. instance == phase_plasticityInstance(material_phase(1,i,e))) then
totalVolume = totalVolume + mesh_ipVolume(i,e)
minimumIpVolume = min(minimumIpVolume, mesh_ipVolume(i,e))
endif
enddo
enddo
densityBinning = rhoSglRandomBinning(instance) / minimumIpVolume ** (2.0_pReal / 3.0_pReal)
! subsequently fill random ips with dislocation segments until we reach the desired overall density
meanDensity = 0.0_pReal
do while(meanDensity < rhoSglRandom(instance))
call random_number(rnd)
e = nint(rnd(1)*real(theMesh%nElems,pReal)+0.5_pReal,pInt)
i = nint(rnd(2)*real(theMesh%elem%nIPs,pReal)+0.5_pReal,pInt)
if (PLASTICITY_NONLOCAL_ID == phase_plasticity(material_phase(1,i,e)) &
.and. instance == phase_plasticityInstance(material_phase(1,i,e))) then
s = nint(rnd(3)*real(ns,pReal)+0.5_pReal,pInt)
t = nint(rnd(4)*4.0_pReal+0.5_pReal,pInt)
meanDensity = meanDensity + densityBinning * mesh_ipVolume(i,e) / totalVolume
plasticState(phaseAt(1,i,e))%state0(iRhoU(s,t,instance),phaseAt(1,i,e)) = &
plasticState(phaseAt(1,i,e))%state0(iRhoU(s,t,instance),phaseAt(1,i,e)) &
+ densityBinning
endif
enddo
! homogeneous distribution of density with some noise
else
do e = 1_pInt,theMesh%nElems
do i = 1_pInt,theMesh%elem%nIPs
if (PLASTICITY_NONLOCAL_ID == phase_plasticity(material_phase(1,i,e)) &
.and. instance == phase_plasticityInstance(material_phase(1,i,e))) then
do f = 1_pInt,lattice_maxNslipFamily
from = 1_pInt + sum(Nslip(1:f-1_pInt,instance))
upto = sum(Nslip(1:f,instance))
do s = from,upto
do j = 1_pInt,2_pInt
noise(j) = math_sampleGaussVar(0.0_pReal, rhoSglScatter(instance))
enddo
plasticState(phaseAt(1,i,e))%state0(iRhoU(s,1,instance),phasememberAt(1,i,e)) = &
rhoSglEdgePos0(f,instance) + noise(1)
plasticState(phaseAt(1,i,e))%state0(iRhoU(s,2,instance),phasememberAt(1,i,e)) = &
rhoSglEdgeNeg0(f,instance) + noise(1)
plasticState(phaseAt(1,i,e))%state0(iRhoU(s,3,instance),phasememberAt(1,i,e)) = &
rhoSglScrewPos0(f,instance) + noise(2)
plasticState(phaseAt(1,i,e))%state0(iRhoU(s,4,instance),phasememberAt(1,i,e)) = &
rhoSglScrewNeg0(f,instance) + noise(2)
enddo
plasticState(phaseAt(1,i,e))%state0(iRhoD(from:upto,1,instance),phasememberAt(1,i,e)) = &
rhoDipEdge0(f,instance)
plasticState(phaseAt(1,i,e))%state0(iRhoD(from:upto,2,instance),phasememberAt(1,i,e)) = &
rhoDipScrew0(f,instance)
enddo
endif
enddo
enddo
endif
enddo
end subroutine plastic_nonlocal_stateInit
!--------------------------------------------------------------------------------------------------
!> @brief sets the relevant state values for a given instance of this plasticity
!--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_aTolState(ph,instance)
use material, only: &
plasticState
implicit none
integer(pInt), intent(in) :: &
instance, & !< number specifying the instance of the plasticity
ph
integer(pInt) :: &
ns, &
t, c
associate (prm => param(instance))
ns = totalNslip(instance)
forall (t = 1_pInt:4_pInt)
plasticState(ph)%aTolState(iRhoU(1:ns,t,instance)) = prm%aTolRho
plasticState(ph)%aTolState(iRhoB(1:ns,t,instance)) = prm%aTolRho
end forall
forall (c = 1_pInt:2_pInt) &
plasticState(ph)%aTolState(iRhoD(1:ns,c,instance)) = prm%aTolRho
plasticState(ph)%aTolState(iGamma(1:ns,instance)) = prm%aTolShear
end associate
end subroutine plastic_nonlocal_aTolState
!--------------------------------------------------------------------------------------------------