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many imported functions not used anymore, moving parameters to structure

This commit is contained in:
Martin Diehl 2018-08-03 07:30:09 +02:00
parent 1c83f841aa
commit b8e8193001
1 changed files with 40 additions and 52 deletions
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92
src/plastic_dislotwin.f90
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@ -17,9 +17,6 @@ module plastic_dislotwin
real(pReal), parameter, private :: & real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
real(pReal), dimension(:,:,:,:), allocatable, private :: &
Ctwin66,& !< twin elasticity matrix in Mandel notation for each instance
Ctrans66 !< trans elasticity matrix in Mandel notation for each instance
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
tau_r_twin, & !< stress to bring partial close together for each twin system and instance tau_r_twin, & !< stress to bring partial close together for each twin system and instance
tau_r_trans !< stress to bring partial close together for each trans system and instance tau_r_trans !< stress to bring partial close together for each trans system and instance
@ -123,6 +120,9 @@ module plastic_dislotwin
interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance
interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance
interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance
real(pReal), dimension(:,:,:), allocatable, private :: &
Ctwin66, &
Ctrans66
end type end type
type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance)
@ -196,18 +196,9 @@ subroutine plastic_dislotwin_init(fileUnit)
mesh_maxNips, & mesh_maxNips, &
mesh_NcpElems mesh_NcpElems
use IO, only: & use IO, only: &
IO_read, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_intValue, &
IO_warning, & IO_warning, &
IO_error, & IO_error, &
IO_timeStamp, & IO_timeStamp
IO_EOF
use material, only: & use material, only: &
homogenization_maxNgrains, & homogenization_maxNgrains, &
phase_plasticity, & phase_plasticity, &
@ -236,8 +227,8 @@ subroutine plastic_dislotwin_init(fileUnit)
integer(kind(undefined_ID)) outputID integer(kind(undefined_ID)) outputID
real(pReal), dimension(:,:,:,:,:), allocatable :: & real(pReal), dimension(:,:,:,:,:), allocatable :: &
Ctwin3333, & !< twin elasticity matrix for each instance Ctwin3333, & !< twin elasticity matrix
Ctrans3333 !< trans elasticity matrix for each instance Ctrans3333 !< trans elasticity matrix
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
invLambdaSlip0,& invLambdaSlip0,&
@ -582,21 +573,10 @@ subroutine plastic_dislotwin_init(fileUnit)
call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')')
enddo enddo
! ToDo: this should be stored somewhere else. Works only for the whole instance!!
! prm%totalNtwin should be the maximum over all totalNtwins!
allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal)
allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal)
allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal)
allocate(projectionMatrix_Trans(prm%totalNtrans,prm%totalNslip,maxNinstance), source=0.0_pReal) allocate(projectionMatrix_Trans(prm%totalNtrans,prm%totalNslip,maxNinstance), source=0.0_pReal)
allocate(Ctwin66(6,6,prm%totalNtwin,maxNinstance), source=0.0_pReal)
allocate(Ctrans66(6,6,prm%totalNtrans,maxNinstance), source=0.0_pReal)
allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal)
allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal)
initializeInstances: do p = 1_pInt, size(phase_plasticity) initializeInstances: do p = 1_pInt, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle
@ -694,11 +674,12 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%interaction_SlipTwin = temp2; deallocate(temp2) prm%interaction_SlipTwin = temp2; deallocate(temp2)
prm%interaction_SlipTrans = temp3; deallocate(temp3) prm%interaction_SlipTrans = temp3; deallocate(temp3)
allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal)
Ctwin3333 = 0.0_pReal allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal)
allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal)
if (allocated(Ctwin3333)) deallocate(Ctwin3333)
allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal)
twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1)
index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list
@ -719,7 +700,7 @@ subroutine plastic_dislotwin_init(fileUnit)
lattice_Qtwin(o,s,index_otherFamily+j,p) lattice_Qtwin(o,s,index_otherFamily+j,p)
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
Ctwin66(1:6,1:6,index_myFamily+j,instance) = & prm%Ctwin66(1:6,1:6,index_myFamily+j) = &
math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j))
!* Interaction matrices !* Interaction matrices
@ -749,16 +730,17 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%interaction_TwinTwin = temp2; deallocate(temp2) prm%interaction_TwinTwin = temp2; deallocate(temp2)
allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal)
allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal)
if (allocated(Ctrans3333)) deallocate(Ctrans3333)
allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal)
transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1)
index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list
transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) transSystemsLoop: do j = 1_pInt,prm%Ntrans(f)
Ctrans3333 = 0.0_pReal index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list
index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list
do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt
do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt
Ctrans3333(l,m,n,o,index_myFamily+j) = & Ctrans3333(l,m,n,o,index_myFamily+j) = &
@ -770,7 +752,7 @@ subroutine plastic_dislotwin_init(fileUnit)
lattice_Qtrans(o,s,index_otherFamily+j,p) lattice_Qtrans(o,s,index_otherFamily+j,p)
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
Ctrans66(1:6,1:6,index_myFamily+j,instance) = & prm%Ctrans66(1:6,1:6,index_myFamily+j) = &
math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j))
!* Interaction matrices !* Interaction matrices
@ -949,11 +931,14 @@ subroutine plastic_dislotwin_init(fileUnit)
spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase)
enddo initializeInstances enddo initializeInstances
! ToDo: this should be stored somewhere else. Works only for the whole instance!!
! ToDo: prm%totalNtwin should be the maximum over all totalNtwins!
allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal)
allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal)
end subroutine plastic_dislotwin_init end subroutine plastic_dislotwin_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix !> @brief returns the homogenized elasticity matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -997,12 +982,12 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el)
plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph)
do i=1_pInt,prm%totalNtwin do i=1_pInt,prm%totalNtwin
plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC &
+ ste%twinFraction(i,of)*Ctwin66(1:6,1:6,i,instance) + ste%twinFraction(i,of)*prm%Ctwin66(1:6,1:6,i)
enddo enddo
do i=1_pInt,prm%totalNtrans do i=1_pInt,prm%totalNtrans
plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC &
+ (ste%stressTransFraction(i,of) + ste%strainTransFraction(i,of))*& + (ste%stressTransFraction(i,of) + ste%strainTransFraction(i,of))*&
Ctrans66(1:6,1:6,i,instance) prm%Ctrans66(1:6,1:6,i)
enddo enddo
end associate end associate
end function plastic_dislotwin_homogenizedC end function plastic_dislotwin_homogenizedC
@ -1037,10 +1022,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
of of
real(pReal) :: & real(pReal) :: &
sumf,sfe,sumftr sumf,sfe,sumftr
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
x0 x0, &
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: fOverStacksize fOverStacksize, &
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: ftransOverLamellarSize ftransOverLamellarSize
type(tParameters):: prm type(tParameters):: prm
type(tDislotwinState) :: ste type(tDislotwinState) :: ste
@ -1051,13 +1036,14 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
ph = phaseAt(ipc,ip,el) ph = phaseAt(ipc,ip,el)
instance = phase_plasticityInstance(ph) instance = phase_plasticityInstance(ph)
associate(prm => param(instance), ste => state(instance)) associate(prm => param(instance), &
!* Total twin volume fraction ste => state(instance))
sumf = sum(ste%twinFraction(1:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0
sumf = sum(ste%twinFraction(1:prm%totalNtwin,of))
sumftr = sum(ste%stressTransFraction(1:prm%totalNtrans,of)) + & sumftr = sum(ste%stressTransFraction(1:prm%totalNtrans,of)) + &
sum(ste%strainTransFraction(1:prm%totalNtrans,of)) sum(ste%strainTransFraction(1:prm%totalNtrans,of))
!* Stacking fault energy
sfe = prm%SFE_0K + prm%dSFE_dT * Temperature sfe = prm%SFE_0K + prm%dSFE_dT * Temperature
!* rescaled volume fraction for topology !* rescaled volume fraction for topology
@ -1097,7 +1083,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
!* mean free path between 2 obstacles seen by a moving dislocation !* mean free path between 2 obstacles seen by a moving dislocation
do s = 1_pInt,prm%totalNslip do s = 1_pInt,prm%totalNslip
if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is two simplified if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified
ste%mfp_slip(s,of) = & ste%mfp_slip(s,of) = &
prm%GrainSize/(1.0_pReal+prm%GrainSize*& prm%GrainSize/(1.0_pReal+prm%GrainSize*&
(ste%invLambdaSlip(s,of) + ste%invLambdaSlipTwin(s,of) + ste%invLambdaSlipTrans(s,of))) (ste%invLambdaSlip(s,of) + ste%invLambdaSlipTwin(s,of) + ste%invLambdaSlipTrans(s,of)))
@ -1130,11 +1116,13 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
ste%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*ste%mfp_twin(:,of)**2.0_pReal ste%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*ste%mfp_twin(:,of)**2.0_pReal
ste%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*ste%mfp_trans(:,of)**2.0_pReal ste%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*ste%mfp_trans(:,of)**2.0_pReal
!ToDo: MD: This does not work for non-isothermal simulations!!!!!
!* equilibrium separation of partial dislocations (twin) !* equilibrium separation of partial dislocations (twin)
x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph))
tau_r_twin(:,instance)= lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*PI)*& tau_r_twin(:,instance)= lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*PI)*&
(1/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) (1/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
!* equilibrium separation of partial dislocations (trans) !* equilibrium separation of partial dislocations (trans)
x0 = lattice_mu(ph)*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) x0 = lattice_mu(ph)*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph))
tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*& tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*&