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intermediate results should not be stored

This commit is contained in:
Martin Diehl 2019-03-19 06:48:12 +01:00
parent d22f41eeaa
commit 1b53040f5e
1 changed files with 57 additions and 59 deletions
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116
src/plastic_dislotwin.f90
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@ -112,7 +112,7 @@ module plastic_dislotwin
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
N_sl, & !< number of active slip systems for each family N_sl, & !< number of active slip systems for each family
N_tw, & !< number of active twin systems for each family N_tw, & !< number of active twin systems for each family
Ntrans !< number of active transformation systems for each family N_tr !< number of active transformation systems for each family
integer(kind(undefined_ID)), dimension(:), allocatable :: & integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID !< ID of each post result output outputID !< ID of each post result output
logical :: & logical :: &
@ -131,14 +131,9 @@ module plastic_dislotwin
type, private :: tDislotwinMicrostructure type, private :: tDislotwinMicrostructure
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
invLambdaSlip, & Lambda_sl, & !* mean free path between 2 obstacles seen by a moving dislocation
invLambdaSlipTwin, & Lambda_tw, & !* mean free path between 2 obstacles seen by a growing twin
invLambdaSlipTrans, & Lambda_tr, &!* mean free path between 2 obstacles seen by a growing martensite
invLambdaTwin, &
invLambdaTrans, &
mfp_slip, &
mfp_twin, &
mfp_trans, &
tau_pass, & tau_pass, &
threshold_stress_twin, & threshold_stress_twin, &
threshold_stress_trans, & threshold_stress_trans, &
@ -377,11 +372,11 @@ subroutine plastic_dislotwin_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! transformation related parameters ! transformation related parameters
prm%Ntrans = config%getInts('ntrans', defaultVal=emptyIntArray) prm%N_tr = config%getInts('ntrans', defaultVal=emptyIntArray)
prm%totalNtrans = sum(prm%Ntrans) prm%totalNtrans = sum(prm%N_tr)
if (prm%totalNtrans > 0) then if (prm%totalNtrans > 0) then
prm%burgers_trans = config%getFloats('transburgers') prm%burgers_trans = config%getFloats('transburgers')
prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) prm%burgers_trans = math_expand(prm%burgers_trans,prm%N_tr)
prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%Cmfptrans = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptrans = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
@ -389,17 +384,17 @@ subroutine plastic_dislotwin_init
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L0_trans = config%getFloat('l0_trans') prm%L0_trans = config%getFloat('l0_trans')
prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%Ntrans,& prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%N_tr,&
config%getFloats('interaction_transtrans'), & config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
prm%C66_trans = lattice_C66_trans(prm%Ntrans,prm%C66, & prm%C66_trans = lattice_C66_trans(prm%N_tr,prm%C66, &
config%getString('trans_lattice_structure'), & config%getString('trans_lattice_structure'), &
0.0_pReal, & 0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal)) config%getFloat('a_fcc', defaultVal=0.0_pReal))
prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%Ntrans, & prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%N_tr, &
config%getString('trans_lattice_structure'), & config%getString('trans_lattice_structure'), &
0.0_pReal, & 0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_bcc', defaultVal=0.0_pReal), &
@ -407,12 +402,12 @@ subroutine plastic_dislotwin_init
if (lattice_structure(p) /= LATTICE_fcc_ID) then if (lattice_structure(p) /= LATTICE_fcc_ID) then
prm%Ndot0_trans = config%getFloats('ndot0_trans') prm%Ndot0_trans = config%getFloats('ndot0_trans')
prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%N_tr)
endif endif
prm%lamellarsize = config%getFloats('lamellarsize') prm%lamellarsize = config%getFloats('lamellarsize')
prm%lamellarsize = math_expand(prm%lamellarsize,prm%Ntrans) prm%lamellarsize = math_expand(prm%lamellarsize,prm%N_tr)
prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal]) prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal])
prm%s = math_expand(prm%s,prm%Ntrans) prm%s = math_expand(prm%s,prm%N_tr)
else else
allocate(prm%lamellarsize(0)) allocate(prm%lamellarsize(0))
allocate(prm%burgers_trans(0)) allocate(prm%burgers_trans(0))
@ -432,10 +427,10 @@ subroutine plastic_dislotwin_init
endif endif
if (prm%totalNslip > 0 .and. prm%totalNtrans > 0) then if (prm%totalNslip > 0 .and. prm%totalNtrans > 0) then
prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%Ntrans,& prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,&
config%getFloats('interaction_sliptrans'), & config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6] if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6]
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -583,20 +578,15 @@ subroutine plastic_dislotwin_init
dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr
allocate(dst%invLambdaSlip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_sl (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(dst%invLambdaSlipTwin (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(dst%invLambdaSlipTrans (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(dst%mfp_slip (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_pass (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_pass (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(dst%invLambdaTwin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_tw (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(dst%mfp_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(dst%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(dst%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(dst%invLambdaTrans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_tr (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(dst%mfp_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(dst%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(dst%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
@ -629,7 +619,7 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
el !< element el !< element
integer :: i, & integer :: i, &
of of
real(pReal) :: f_unrotated real(pReal) :: f_unrotated
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
@ -829,7 +819,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
call kinetics_slip(Mp,temperature,instance,of,gdot_slip) call kinetics_slip(Mp,temperature,instance,of,gdot_slip)
dot%accshear_slip(:,of) = abs(gdot_slip) dot%accshear_slip(:,of) = abs(gdot_slip)
DotRhoMultiplication = abs(gdot_slip)/(prm%b_sl*dst%mfp_slip(:,of)) DotRhoMultiplication = abs(gdot_slip)/(prm%b_sl*dst%Lambda_sl(:,of))
EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl
slipState: do i = 1, prm%totalNslip slipState: do i = 1, prm%totalNslip
@ -840,7 +830,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else significantSlipStress else significantSlipStress
EdgeDipDistance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) EdgeDipDistance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%mfp_slip(i,of)) EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%Lambda_sl(i,of))
EdgeDipDistance = math_clip(EdgeDipDistance, left = EdgeDipMinDistance(i)) EdgeDipDistance = math_clip(EdgeDipDistance, left = EdgeDipMinDistance(i))
if (prm%dipoleFormation) then if (prm%dipoleFormation) then
@ -900,6 +890,15 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
i i
real(pReal) :: & real(pReal) :: &
sumf_twin,SFE,sumf_trans sumf_twin,SFE,sumf_trans
real(pReal), dimension(param(instance)%totalNtwin) :: &
lambda_sl_sl_inv, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
lambda_sl_tw_inv, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
lambda_sl_tr_inv !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
real(pReal), dimension(param(instance)%totalNtrans) :: &
lambda_tw_tw_inv !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
real(pReal), dimension(param(instance)%totalNslip) :: &
lambda_tr_tr_inv !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
x0, & x0, &
fOverStacksize, & fOverStacksize, &
@ -921,47 +920,46 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
!Todo: Physically ok, but naming could be adjusted !Todo: Physically ok, but naming could be adjusted
!* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
forall (i = 1:prm%totalNslip) & forall (i = 1:prm%totalNslip) &
dst%invLambdaSlip(i,of) = & lambda_sl_sl_inv = &
sqrt(dot_product((stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of)),& sqrt(dot_product((stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of)),&
prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) ! change order and use matmul
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
if (prm%totalNtwin > 0 .and. prm%totalNslip > 0) & if (prm%totalNtwin > 0 .and. prm%totalNslip > 0) &
dst%invLambdaSlipTwin(1:prm%totalNslip,of) = & lambda_sl_tw_inv = &
matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order and use matmul matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose
!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
!ToDo: needed? if (prm%totalNtwin > 0) & !ToDo: needed? if (prm%totalNtwin > 0) &
dst%invLambdaTwin(1:prm%totalNtwin,of) = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) lambda_tw_tw_inv = matmul(prm%h_tw_tw,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 .and. prm%totalNslip > 0) & if (prm%totalNtrans > 0 .and. prm%totalNslip > 0) &
dst%invLambdaSlipTrans(1:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12 lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12
matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: Transpose needed matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose
!* 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) & !ToDo: needed? if (prm%totalNtrans > 0) &
dst%invLambdaTrans(1:prm%totalNtrans,of) = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) lambda_tr_tr_inv = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!* mean free path between 2 obstacles seen by a moving dislocation
do i = 1,prm%totalNslip
if ((prm%totalNtwin > 0) .or. (prm%totalNtrans > 0)) then ! ToDo: Change order and use matmul if ((prm%totalNtwin > 0) .or. (prm%totalNtrans > 0)) then ! ToDo: Change order
dst%mfp_slip(i,of) = & dst%Lambda_sl(:,of) = &
prm%GrainSize/(1.0_pReal+prm%GrainSize*& prm%GrainSize/(1.0_pReal+prm%GrainSize*&
(dst%invLambdaSlip(i,of) + dst%invLambdaSlipTwin(i,of) + dst%invLambdaSlipTrans(i,of))) (lambda_sl_sl_inv + lambda_sl_tw_inv + lambda_sl_tr_inv))
else else
dst%mfp_slip(i,of) = prm%GrainSize & dst%Lambda_sl(:,of) = prm%GrainSize &
/ (1.0_pReal+prm%GrainSize*dst%invLambdaSlip(i,of)) !!!!!! correct? / (1.0_pReal+prm%GrainSize*lambda_sl_sl_inv) !!!!!! correct?
endif endif
enddo
!* mean free path between 2 obstacles seen by a growing twin/martensite
dst%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*dst%invLambdaTwin(:,of))
dst%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*dst%invLambdaTrans(:,of)) dst%Lambda_tw(:,of) = prm%Cmfptwin *prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tw_tw_inv)
dst%Lambda_tr(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tr_tr_inv)
!* threshold stress for dislocation motion !* threshold stress for dislocation motion
forall (i = 1:prm%totalNslip) dst%tau_pass(i,of) = & forall (i = 1:prm%totalNslip) dst%tau_pass(i,of) = &
@ -979,8 +977,8 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
(prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) )
dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%mfp_twin(:,of)**2.0_pReal dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal
dst%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%mfp_trans(:,of)**2.0_pReal dst%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal
x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip
@ -1040,7 +1038,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe
postResults(c+1:c+prm%totalNslip) = stt%accshear_slip(1:prm%totalNslip,of) postResults(c+1:c+prm%totalNslip) = stt%accshear_slip(1:prm%totalNslip,of)
c = c + prm%totalNslip c = c + prm%totalNslip
case (mfp_slip_ID) case (mfp_slip_ID)
postResults(c+1:c+prm%totalNslip) = dst%mfp_slip(1:prm%totalNslip,of) postResults(c+1:c+prm%totalNslip) = dst%Lambda_sl(1:prm%totalNslip,of)
c = c + prm%totalNslip c = c + prm%totalNslip
case (resolved_stress_slip_ID) case (resolved_stress_slip_ID)
do j = 1, prm%totalNslip do j = 1, prm%totalNslip
@ -1055,7 +1053,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe
postResults(c+1:c+prm%totalNtwin) = stt%twinFraction(1:prm%totalNtwin,of) postResults(c+1:c+prm%totalNtwin) = stt%twinFraction(1:prm%totalNtwin,of)
c = c + prm%totalNtwin c = c + prm%totalNtwin
case (mfp_twin_ID) case (mfp_twin_ID)
postResults(c+1:c+prm%totalNtwin) = dst%mfp_twin(1:prm%totalNtwin,of) postResults(c+1:c+prm%totalNtwin) = dst%Lambda_tw(1:prm%totalNtwin,of)
c = c + prm%totalNtwin c = c + prm%totalNtwin
case (resolved_stress_twin_ID) case (resolved_stress_twin_ID)
do j = 1, prm%totalNtwin do j = 1, prm%totalNtwin