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following example of disloUCLA

This commit is contained in:
Martin Diehl 2019-01-27 08:35:07 +01:00
parent 3b5a6b2877
commit 4b2da52e87
2 changed files with 134 additions and 146 deletions
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6
src/constitutive.f90
View File

@ -365,7 +365,7 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
use plastic_nonlocal, only: & use plastic_nonlocal, only: &
plastic_nonlocal_microstructure plastic_nonlocal_microstructure
use plastic_dislotwin, only: & use plastic_dislotwin, only: &
plastic_dislotwin_microstructure plastic_dislotwin_dependentState
use plastic_disloUCLA, only: & use plastic_disloUCLA, only: &
plastic_disloUCLA_dependentState plastic_disloUCLA_dependentState
@ -389,7 +389,9 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_microstructure(temperature(ho)%p(tme),ipc,ip,el) of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
call plastic_dislotwin_dependentState(temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType case (PLASTICITY_DISLOUCLA_ID) plasticityType
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) instance = phase_plasticityInstance(material_phase(ipc,ip,el))

274
src/plastic_dislotwin.f90
View File

@ -177,7 +177,7 @@ module plastic_dislotwin
public :: & public :: &
plastic_dislotwin_init, & plastic_dislotwin_init, &
plastic_dislotwin_homogenizedC, & plastic_dislotwin_homogenizedC, &
plastic_dislotwin_microstructure, & plastic_dislotwin_dependentState, &
plastic_dislotwin_LpAndItsTangent, & plastic_dislotwin_LpAndItsTangent, &
plastic_dislotwin_dotState, & plastic_dislotwin_dotState, &
plastic_dislotwin_postResults plastic_dislotwin_postResults
@ -230,7 +230,7 @@ subroutine plastic_dislotwin_init
implicit none implicit none
integer(pInt) :: Ninstance,& integer(pInt) :: Ninstance,&
f,j,i,k,o,p, & i,p, &
offset_slip, & offset_slip, &
startIndex, endIndex, outputSize startIndex, endIndex, outputSize
integer(pInt) :: sizeState, sizeDotState integer(pInt) :: sizeState, sizeDotState
@ -245,7 +245,6 @@ subroutine plastic_dislotwin_init
outputID !< ID of each post result output outputID !< ID of each post result output
character(len=pStringLen) :: & character(len=pStringLen) :: &
structure = '',&
extmsg = '' extmsg = ''
character(len=65536), dimension(:), allocatable :: & character(len=65536), dimension(:), allocatable :: &
outputs outputs
@ -289,8 +288,6 @@ subroutine plastic_dislotwin_init
prm%nu = lattice_nu(p) prm%nu = lattice_nu(p)
prm%C66 = lattice_C66(1:6,1:6,p) prm%C66 = lattice_C66(1:6,1:6,p)
structure = config%getString('lattice_structure')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
@ -310,7 +307,7 @@ subroutine plastic_dislotwin_init
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
structure(1:3)) config%getString('lattice_structure'))
prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip)) !ToDo: rename to rho_0 prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip)) !ToDo: rename to rho_0
prm%rhoDip0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%Nslip)) !ToDo: rename to rho_dip_0 prm%rhoDip0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%Nslip)) !ToDo: rename to rho_dip_0
@ -451,17 +448,17 @@ subroutine plastic_dislotwin_init
if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
config%getFloats('interaction_sliptwin'), & config%getFloats('interaction_sliptwin'), &
structure(1:3)) config%getString('lattice_structure'))
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
config%getFloats('interaction_twinslip'), & config%getFloats('interaction_twinslip'), &
structure(1:3)) config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6] if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6]
endif endif
if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then
prm%interaction_SlipTrans = lattice_interaction_SlipTrans(prm%Nslip,prm%Ntrans,& prm%interaction_SlipTrans = lattice_interaction_SlipTrans(prm%Nslip,prm%Ntrans,&
config%getFloats('interaction_sliptrans'), & config%getFloats('interaction_sliptrans'), &
structure(1:3)) config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6] if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6]
endif endif
@ -735,133 +732,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el)
end function plastic_dislotwin_homogenizedC end function plastic_dislotwin_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
use math, only: &
PI
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in) :: &
temperature !< temperature at IP
integer(pInt) :: &
i, &
of
real(pReal) :: &
sumf_twin,SFE,sumf_trans
real(pReal), dimension(:), allocatable :: &
x0, &
fOverStacksize, &
ftransOverLamellarSize
of = phasememberAt(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))),&
mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el))))
sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of))
sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) &
+ sum(stt%strainTransFraction(1:prm%totalNtrans,of))
sfe = prm%SFE_0K + prm%dSFE_dT * Temperature
!* rescaled volume fraction for topology
fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system
ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ...
!Todo: Physically ok, but naming could be adjusted
!* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
forall (i = 1_pInt:prm%totalNslip) &
mse%invLambdaSlip(i,of) = &
sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),&
prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i)
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
!$OMP CRITICAL (evilmatmul)
if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = &
matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
!ToDo: needed? if (prm%totalNtwin > 0_pInt) &
mse%invLambdaTwin(1_pInt:prm%totalNtwin,of) = &
matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12
matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
!ToDo: needed? if (prm%totalNtrans > 0_pInt) &
mse%invLambdaTrans(1_pInt:prm%totalNtrans,of) = &
matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!$OMP END CRITICAL (evilmatmul)
!* mean free path between 2 obstacles seen by a moving dislocation
do i = 1_pInt,prm%totalNslip
if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified
mse%mfp_slip(i,of) = &
prm%GrainSize/(1.0_pReal+prm%GrainSize*&
(mse%invLambdaSlip(i,of) + mse%invLambdaSlipTwin(i,of) + mse%invLambdaSlipTrans(i,of)))
else
mse%mfp_slip(i,of) = &
prm%GrainSize/&
(1.0_pReal+prm%GrainSize*(mse%invLambdaSlip(i,of))) !!!!!! correct?
endif
enddo
!* mean free path between 2 obstacles seen by a growing twin/martensite
mse%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*mse%invLambdaTwin(:,of))
mse%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*mse%invLambdaTrans(:,of))
!* threshold stress for dislocation motion
forall (i = 1_pInt:prm%totalNslip) mse%threshold_stress_slip(i,of) = &
prm%mu*prm%burgers_slip(i)*&
sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),&
prm%interaction_SlipSlip(i,1:prm%totalNslip)))
!* threshold stress for growing twin/martensite
if(prm%totalNtwin == prm%totalNslip) &
mse%threshold_stress_twin(:,of) = prm%Cthresholdtwin* &
(sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ &
(prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct?
if(prm%totalNtrans == prm%totalNslip) &
mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* &
(sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/&
(prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) )
! final volume after growth
mse%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*mse%mfp_twin(:,of)**2.0_pReal
mse%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*mse%mfp_trans(:,of)**2.0_pReal
!* equilibrium separation of partial dislocations (twin)
x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
mse%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
!* equilibrium separation of partial dislocations (trans)
x0 = prm%mu*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
mse%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
end associate
end subroutine plastic_dislotwin_microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -885,7 +755,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,
integer(pInt) :: i,k,l,m,n,s1,s2 integer(pInt) :: i,k,l,m,n,s1,s2
real(pReal) :: f_unrotated,StressRatio_p,& real(pReal) :: f_unrotated,StressRatio_p,&
StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & BoltzmannRatio, &
Ndot0_trans,StressRatio_s, & Ndot0_trans,StressRatio_s, &
dgdot_dtau, & dgdot_dtau, &
tau tau
@ -1039,9 +909,9 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
of of
integer(pInt) :: i,s1,s2 integer(pInt) :: i,s1,s2
real(pReal) :: f_unrotated,StressRatio_p,BoltzmannRatio,& real(pReal) :: f_unrotated,&
EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,Ndot0_twin,&
Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & Ndot0_trans,StressRatio_r,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, &
DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, &
tau tau
real(pReal), dimension(plasticState(instance)%Nslip) :: & real(pReal), dimension(plasticState(instance)%Nslip) :: &
@ -1165,6 +1035,126 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
end subroutine plastic_dislotwin_dotState end subroutine plastic_dislotwin_dotState
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dependentState(temperature,instance,of)
use math, only: &
PI
implicit none
integer(pInt), intent(in) :: &
instance, & !< component-ID of integration point
of
real(pReal), intent(in) :: &
temperature !< temperature at IP
integer(pInt) :: &
i
real(pReal) :: &
sumf_twin,SFE,sumf_trans
real(pReal), dimension(:), allocatable :: &
x0, &
fOverStacksize, &
ftransOverLamellarSize
associate(prm => param(instance),&
stt => state(instance),&
mse => microstructure(instance))
sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of))
sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) &
+ sum(stt%strainTransFraction(1:prm%totalNtrans,of))
sfe = prm%SFE_0K + prm%dSFE_dT * Temperature
!* rescaled volume fraction for topology
fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system
ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ...
!Todo: Physically ok, but naming could be adjusted
!* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
forall (i = 1_pInt:prm%totalNslip) &
mse%invLambdaSlip(i,of) = &
sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),&
prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i)
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
!$OMP CRITICAL (evilmatmul)
if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = &
matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
!ToDo: needed? if (prm%totalNtwin > 0_pInt) &
mse%invLambdaTwin(1_pInt:prm%totalNtwin,of) = &
matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12
matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
!ToDo: needed? if (prm%totalNtrans > 0_pInt) &
mse%invLambdaTrans(1_pInt:prm%totalNtrans,of) = &
matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!$OMP END CRITICAL (evilmatmul)
!* mean free path between 2 obstacles seen by a moving dislocation
do i = 1_pInt,prm%totalNslip
if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified
mse%mfp_slip(i,of) = &
prm%GrainSize/(1.0_pReal+prm%GrainSize*&
(mse%invLambdaSlip(i,of) + mse%invLambdaSlipTwin(i,of) + mse%invLambdaSlipTrans(i,of)))
else
mse%mfp_slip(i,of) = &
prm%GrainSize/&
(1.0_pReal+prm%GrainSize*(mse%invLambdaSlip(i,of))) !!!!!! correct?
endif
enddo
!* mean free path between 2 obstacles seen by a growing twin/martensite
mse%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*mse%invLambdaTwin(:,of))
mse%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*mse%invLambdaTrans(:,of))
!* threshold stress for dislocation motion
forall (i = 1_pInt:prm%totalNslip) mse%threshold_stress_slip(i,of) = &
prm%mu*prm%burgers_slip(i)*&
sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),&
prm%interaction_SlipSlip(i,1:prm%totalNslip)))
!* threshold stress for growing twin/martensite
if(prm%totalNtwin == prm%totalNslip) &
mse%threshold_stress_twin(:,of) = prm%Cthresholdtwin* &
(sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ &
(prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct?
if(prm%totalNtrans == prm%totalNslip) &
mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* &
(sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/&
(prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) )
! final volume after growth
mse%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*mse%mfp_twin(:,of)**2.0_pReal
mse%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*mse%mfp_trans(:,of)**2.0_pReal
!* equilibrium separation of partial dislocations (twin)
x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
mse%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
!* equilibrium separation of partial dislocations (trans)
x0 = prm%mu*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
mse%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
end associate
end subroutine plastic_dislotwin_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1197,10 +1187,6 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip gdot_slip
type(tParameters) :: prm
type(tDislotwinState) :: stt
type(tDislotwinMicrostructure) :: mse
associate(prm => param(instance), stt => state(instance), mse => microstructure(instance)) associate(prm => param(instance), stt => state(instance), mse => microstructure(instance))