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updated to read in TRIP parameters

This commit is contained in:
Su Leen Wong 2014-07-22 07:43:03 +00:00
parent cd9adf78ca
commit 1707f7d367
3 changed files with 198 additions and 95 deletions
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2
code/IO.f90
View File

@ -1731,6 +1731,8 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
msg = 'not all available twin system families are defined' msg = 'not all available twin system families are defined'
case (52_pInt) case (52_pInt)
msg = 'not all available parameters are defined' msg = 'not all available parameters are defined'
case (53_pInt)
msg = 'not all available transformation system families are defined'
case (101_pInt) case (101_pInt)
msg = 'crystallite debugging off' msg = 'crystallite debugging off'
case (201_pInt) case (201_pInt)

53
code/constitutive_dislotwin.f90
View File

@ -46,11 +46,13 @@ module constitutive_dislotwin
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
constitutive_dislotwin_totalNslip, & !< total number of active slip systems for each instance constitutive_dislotwin_totalNslip, & !< total number of active slip systems for each instance
constitutive_dislotwin_totalNtwin !< total number of active twin systems for each instance constitutive_dislotwin_totalNtwin, & !< total number of active twin systems for each instance
constitutive_dislotwin_totalNtrans !< number of active transformation systems
integer(pInt), dimension(:,:), allocatable, private :: & integer(pInt), dimension(:,:), allocatable, private :: &
constitutive_dislotwin_Nslip, & !< number of active slip systems for each family and instance constitutive_dislotwin_Nslip, & !< number of active slip systems for each family and instance
constitutive_dislotwin_Ntwin !< number of active twin systems for each family and instance constitutive_dislotwin_Ntwin, & !< number of active twin systems for each family and instance
constitutive_dislotwin_Ntrans !< number of active transformation systems for each family and instance
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
constitutive_dislotwin_CAtomicVolume, & !< atomic volume in Bugers vector unit constitutive_dislotwin_CAtomicVolume, & !< atomic volume in Bugers vector unit
@ -74,7 +76,12 @@ module constitutive_dislotwin
constitutive_dislotwin_dSFE_dT, & !< temperature dependance of stacking fault energy constitutive_dislotwin_dSFE_dT, & !< temperature dependance of stacking fault energy
constitutive_dislotwin_dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful constitutive_dislotwin_dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful
constitutive_dislotwin_aTolRho, & !< absolute tolerance for integration of dislocation density constitutive_dislotwin_aTolRho, & !< absolute tolerance for integration of dislocation density
constitutive_dislotwin_aTolTwinFrac !< absolute tolerance for integration of twin volume fraction constitutive_dislotwin_aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction
constitutive_dislotwin_c1, & !< strain induced martensite nucleation coefficient
constitutive_dislotwin_c2, & !< phase boundary energy
constitutive_dislotwin_c3, & !< Lagrange multiplier
constitutive_dislotwin_c5, & !< phase transformation rate coefficient
constitutive_dislotwin_deltaG !< free energy difference between austensite and martensite [MPa]
real(pReal), dimension(:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:), allocatable, private :: &
constitutive_dislotwin_Ctwin66 !< twin elasticity matrix in Mandel notation for each instance constitutive_dislotwin_Ctwin66 !< twin elasticity matrix in Mandel notation for each instance
@ -207,14 +214,14 @@ subroutine constitutive_dislotwin_init(fileUnit)
integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,& integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,&
f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, & f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_TransFamilies, &
index_myFamily, index_otherFamily index_myFamily, index_otherFamily
integer(pInt) :: sizeState, sizeDotState integer(pInt) :: sizeState, sizeDotState
integer(pInt) :: NofMyPhase integer(pInt) :: NofMyPhase
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -235,8 +242,10 @@ subroutine constitutive_dislotwin_init(fileUnit)
allocate(constitutive_dislotwin_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_totalNslip(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_totalNslip(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_totalNtwin(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_totalNtwin(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_totalNtrans(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_CAtomicVolume(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_CAtomicVolume(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_D0(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_D0(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_Qsd(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_Qsd(maxNinstance), source=0.0_pReal)
@ -259,6 +268,11 @@ subroutine constitutive_dislotwin_init(fileUnit)
allocate(constitutive_dislotwin_SFE_0K(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_SFE_0K(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_dSFE_dT(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_dSFE_dT(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default allocate(constitutive_dislotwin_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default
allocate(constitutive_dislotwin_c1(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_c2(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_c3(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_c5(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_deltaG(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & allocate(constitutive_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), &
@ -310,14 +324,17 @@ subroutine constitutive_dislotwin_init(fileUnit)
if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt)
Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt) Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt)
Nchunks_TransFamilies =count(lattice_NtransSystem(:,phase)> 0_pInt)
Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase)) Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase)) Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase))
Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase)) Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase))
Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase)) Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase))
if(allocated(tempPerSlip)) deallocate(tempPerSlip) if(allocated(tempPerSlip)) deallocate(tempPerSlip)
if(allocated(tempPerTwin)) deallocate(tempPerTwin) if(allocated(tempPerTwin)) deallocate(tempPerTwin)
if(allocated(tempPerTrans)) deallocate(tempPerTrans)
allocate(tempPerSlip(Nchunks_SlipFamilies)) allocate(tempPerSlip(Nchunks_SlipFamilies))
allocate(tempPerTwin(Nchunks_TwinFamilies)) allocate(tempPerTwin(Nchunks_TwinFamilies))
allocate(tempPerTrans(Nchunks_TransFamilies))
endif endif
cycle ! skip to next line cycle ! skip to next line
endif endif
@ -485,6 +502,17 @@ subroutine constitutive_dislotwin_init(fileUnit)
constitutive_dislotwin_rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) constitutive_dislotwin_rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies)
end select end select
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! parameters depending on number of transformation system families
case ('ntrans')
if (positions(1) < Nchunks_TransFamilies + 1_pInt) &
call IO_warning(53_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
if (positions(1) > Nchunks_TransFamilies + 1_pInt) &
call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
Nchunks_TransFamilies = positions(1) - 1_pInt
do j = 1_pInt, Nchunks_TransFamilies
constitutive_dislotwin_Ntrans(j,instance) = IO_intValue(line,positions,1_pInt+j)
enddo
!--------------------------------------------------------------------------------------------------
! parameters depending on number of interactions ! parameters depending on number of interactions
case ('interaction_slipslip','interactionslipslip') case ('interaction_slipslip','interactionslipslip')
if (positions(1) < 1_pInt + Nchunks_SlipSlip) & if (positions(1) < 1_pInt + Nchunks_SlipSlip) &
@ -556,6 +584,16 @@ subroutine constitutive_dislotwin_init(fileUnit)
constitutive_dislotwin_sbVelocity(instance) = IO_floatValue(line,positions,2_pInt) constitutive_dislotwin_sbVelocity(instance) = IO_floatValue(line,positions,2_pInt)
case ('qedgepersbsystem') case ('qedgepersbsystem')
constitutive_dislotwin_sbQedge(instance) = IO_floatValue(line,positions,2_pInt) constitutive_dislotwin_sbQedge(instance) = IO_floatValue(line,positions,2_pInt)
case ('c1')
constitutive_dislotwin_c1(instance) = IO_floatValue(line,positions,2_pInt)
case ('c2')
constitutive_dislotwin_c2(instance) = IO_floatValue(line,positions,2_pInt)
case ('c3')
constitutive_dislotwin_c3(instance) = IO_floatValue(line,positions,2_pInt)
case ('c5')
constitutive_dislotwin_c5(instance) = IO_floatValue(line,positions,2_pInt)
case ('deltag')
constitutive_dislotwin_deltaG(instance) = IO_floatValue(line,positions,2_pInt)
end select end select
endif; endif endif; endif
enddo parsingFile enddo parsingFile
@ -623,8 +661,10 @@ subroutine constitutive_dislotwin_init(fileUnit)
! Determine total number of active slip or twin systems ! Determine total number of active slip or twin systems
constitutive_dislotwin_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),constitutive_dislotwin_Nslip(:,instance)) constitutive_dislotwin_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),constitutive_dislotwin_Nslip(:,instance))
constitutive_dislotwin_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),constitutive_dislotwin_Ntwin(:,instance)) constitutive_dislotwin_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),constitutive_dislotwin_Ntwin(:,instance))
constitutive_dislotwin_Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),constitutive_dislotwin_Ntrans(:,instance))
constitutive_dislotwin_totalNslip(instance) = sum(constitutive_dislotwin_Nslip(:,instance)) constitutive_dislotwin_totalNslip(instance) = sum(constitutive_dislotwin_Nslip(:,instance))
constitutive_dislotwin_totalNtwin(instance) = sum(constitutive_dislotwin_Ntwin(:,instance)) constitutive_dislotwin_totalNtwin(instance) = sum(constitutive_dislotwin_Ntwin(:,instance))
constitutive_dislotwin_totalNtrans(instance) = sum(constitutive_dislotwin_Ntrans(:,instance))
endif myPhase endif myPhase
enddo sanityChecks enddo sanityChecks
@ -872,7 +912,6 @@ subroutine constitutive_dislotwin_stateInit(ph,instance)
instance, & !< number specifying the instance of the plasticity instance, & !< number specifying the instance of the plasticity
ph ph
real(pReal), dimension(plasticState(ph)%sizeState) :: tempState real(pReal), dimension(plasticState(ph)%sizeState) :: tempState
integer(pInt) :: i,j,f,ns,nt, index_myFamily integer(pInt) :: i,j,f,ns,nt, index_myFamily
@ -973,6 +1012,8 @@ subroutine constitutive_dislotwin_aTolState(ph,instance)
2_pInt*constitutive_dislotwin_totalNtwin(instance)) = 1e6_pReal 2_pInt*constitutive_dislotwin_totalNtwin(instance)) = 1e6_pReal
end subroutine constitutive_dislotwin_aTolState end subroutine constitutive_dislotwin_aTolState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix !> @brief returns the homogenized elasticity matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

236
code/lattice.f90
View File

@ -18,14 +18,17 @@ module lattice
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
LATTICE_maxNslipFamily = 6_pInt, & !< max # of slip system families over lattice structures LATTICE_maxNslipFamily = 6_pInt, & !< max # of slip system families over lattice structures
LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures
LATTICE_maxNslip = 33_pInt, & !< max # of slip systems over lattice structures LATTICE_maxNslip = 33_pInt, & !< max # of slip systems over lattice structures
LATTICE_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures LATTICE_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
LATTICE_maxNinteraction = 42_pInt, & !< max # of interaction types (in hardening matrix part) LATTICE_maxNinteraction = 42_pInt, & !< max # of interaction types (in hardening matrix part)
LATTICE_maxNnonSchmid = 6_pInt !< max # of non schmid contributions over lattice structures LATTICE_maxNnonSchmid = 6_pInt, & !< max # of non schmid contributions over lattice structures
LATTICE_maxNtrans = 36_pInt !< max # of transformations over lattice structures
integer(pInt), allocatable, dimension(:,:), protected, public :: & integer(pInt), allocatable, dimension(:,:), protected, public :: &
lattice_NslipSystem, & !< total # of slip systems in each family lattice_NslipSystem, & !< total # of slip systems in each family
lattice_NtwinSystem !< total # of twin systems in each family lattice_NtwinSystem, & !< total # of twin systems in each family
lattice_NtransSystem !< total # of transformation systems in each family
integer(pInt), allocatable, dimension(:,:,:), protected, public :: & integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
lattice_interactionSlipSlip, & !< Slip--slip interaction type lattice_interactionSlipSlip, & !< Slip--slip interaction type
@ -33,7 +36,6 @@ module lattice
lattice_interactionTwinSlip, & !< Twin--slip interaction type lattice_interactionTwinSlip, & !< Twin--slip interaction type
lattice_interactionTwinTwin !< Twin--twin interaction type lattice_interactionTwinTwin !< Twin--twin interaction type
real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: & real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
lattice_Sslip !< Schmid and non-Schmid matrices lattice_Sslip !< Schmid and non-Schmid matrices
@ -64,19 +66,23 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! fcc ! fcc
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
lattice_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_fcc_NtransSystem = int([12, 24],pInt) !< total # of transformation systems per family for fcc
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
lattice_fcc_Nslip = 12_pInt, & ! sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc LATTICE_fcc_Nslip = 12_pInt, & ! sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
lattice_fcc_Ntwin = 12_pInt, & ! sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc LATTICE_fcc_Ntwin = 12_pInt, & ! sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc
lattice_fcc_NnonSchmid = 0_pInt !< total # of non-Schmid contributions for fcc LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
LATTICE_fcc_Ntrans = 36_pInt !< total # of transformations for fcc
real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter, private :: & real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
lattice_fcc_systemSlip = reshape(real([& LATTICE_fcc_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
0, 1,-1, 1, 1, 1, & 0, 1,-1, 1, 1, 1, &
-1, 0, 1, 1, 1, 1, & -1, 0, 1, 1, 1, 1, &
@ -90,10 +96,10 @@ module lattice
0, 1, 1, -1, 1,-1, & 0, 1, 1, -1, 1,-1, &
1, 0,-1, -1, 1,-1, & 1, 0,-1, -1, 1,-1, &
-1,-1, 0, -1, 1,-1 & -1,-1, 0, -1, 1,-1 &
],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip]) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli ],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Nslip]) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
real(pReal), dimension(3+3,lattice_fcc_Ntwin), parameter, private :: & real(pReal), dimension(3+3,LATTICE_fcc_Ntwin), parameter, private :: &
lattice_fcc_systemTwin = reshape(real( [& LATTICE_fcc_systemTwin = reshape(real( [&
-2, 1, 1, 1, 1, 1, & -2, 1, 1, 1, 1, 1, &
1,-2, 1, 1, 1, 1, & 1,-2, 1, 1, 1, 1, &
1, 1,-2, 1, 1, 1, & 1, 1,-2, 1, 1, 1, &
@ -106,13 +112,13 @@ module lattice
2, 1,-1, -1, 1,-1, & 2, 1,-1, -1, 1,-1, &
-1,-2,-1, -1, 1,-1, & -1,-2,-1, -1, 1,-1, &
-1, 1, 2, -1, 1,-1 & -1, 1, 2, -1, 1,-1 &
],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin]) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli ],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Ntwin]) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
real(pReal), dimension(lattice_fcc_Ntwin), parameter, private :: & real(pReal), dimension(LATTICE_fcc_Ntwin), parameter, private :: &
lattice_fcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal) !< Twin system <112>{111} ??? Sorted according to Eisenlohr & Hantcherli LATTICE_fcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal) !< Twin system <112>{111} ??? Sorted according to Eisenlohr & Hantcherli
integer(pInt), dimension(2_pInt,lattice_fcc_Ntwin), parameter, public :: & integer(pInt), dimension(2_pInt,LATTICE_fcc_Ntwin), parameter, public :: &
lattice_fcc_twinNucleationSlipPair = reshape(int( [& LATTICE_fcc_twinNucleationSlipPair = reshape(int( [&
2,3, & 2,3, &
1,3, & 1,3, &
1,2, & 1,2, &
@ -125,10 +131,10 @@ module lattice
11,12, & 11,12, &
10,12, & 10,12, &
10,11 & 10,11 &
],pInt),[2_pInt,lattice_fcc_Ntwin]) ],pInt),[2_pInt,LATTICE_fcc_Ntwin])
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), parameter, public :: & integer(pInt), dimension(LATTICE_fcc_Nslip,lattice_fcc_Nslip), parameter, public :: &
lattice_fcc_interactionSlipSlip = reshape(int( [& LATTICE_fcc_interactionSlipSlip = reshape(int( [&
1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip 1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip
2,1,2,6,4,5,5,4,6,5,3,5, & ! | 2,1,2,6,4,5,5,4,6,5,3,5, & ! |
2,2,1,5,5,3,5,6,4,6,5,4, & ! | 2,2,1,5,5,3,5,6,4,6,5,4, & ! |
@ -141,15 +147,15 @@ module lattice
4,5,6,3,5,5,4,6,5,1,2,2, & 4,5,6,3,5,5,4,6,5,1,2,2, &
5,3,5,5,4,6,6,4,5,2,1,2, & 5,3,5,5,4,6,6,4,5,2,1,2, &
6,5,4,5,6,4,5,5,3,2,2,1 & 6,5,4,5,6,4,5,5,3,2,2,1 &
],pInt),[lattice_fcc_Nslip,lattice_fcc_Nslip],order=[2,1]) !< Slip--slip interaction types for fcc ],pInt),[LATTICE_fcc_Nslip,LATTICE_fcc_Nslip],order=[2,1]) !< Slip--slip interaction types for fcc
!< 1: self interaction !< 1: self interaction
!< 2: coplanar interaction !< 2: coplanar interaction
!< 3: collinear interaction !< 3: collinear interaction
!< 4: Hirth locks !< 4: Hirth locks
!< 5: glissile junctions !< 5: glissile junctions
!< 6: Lomer locks !< 6: Lomer locks
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin), parameter, public :: & integer(pInt), dimension(LATTICE_fcc_Nslip,LATTICE_fcc_Ntwin), parameter, public :: &
lattice_fcc_interactionSlipTwin = reshape(int( [& LATTICE_fcc_interactionSlipTwin = reshape(int( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin 1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin
1,1,1,3,3,3,3,3,3,2,2,2, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! | 1,1,1,2,2,2,3,3,3,3,3,3, & ! |
@ -162,15 +168,15 @@ module lattice
3,3,3,2,2,2,3,3,3,1,1,1, & 3,3,3,2,2,2,3,3,3,1,1,1, &
2,2,2,3,3,3,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, &
3,3,3,3,3,3,2,2,2,1,1,1 & 3,3,3,3,3,3,2,2,2,1,1,1 &
],pInt),[lattice_fcc_Nslip,lattice_fcc_Ntwin],order=[2,1]) !< Slip--twin interaction types for fcc ],pInt),[LATTICE_fcc_Nslip,LATTICE_fcc_Ntwin],order=[2,1]) !< Slip--twin interaction types for fcc
!< 1: coplanar interaction !< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip) !< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction !< 3: other interaction
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), parameter, public :: & integer(pInt), dimension(LATTICE_fcc_Ntwin,LATTICE_fcc_Nslip), parameter, public :: &
lattice_fcc_interactionTwinSlip = 1_pInt !< Twin--Slip interaction types for fcc LATTICE_fcc_interactionTwinSlip = 1_pInt !< Twin--Slip interaction types for fcc
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin), parameter,public :: & integer(pInt), dimension(LATTICE_fcc_Ntwin,LATTICE_fcc_Ntwin), parameter,public :: &
lattice_fcc_interactionTwinTwin = reshape(int( [& LATTICE_fcc_interactionTwinTwin = reshape(int( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> twin 1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> twin
1,1,1,2,2,2,2,2,2,2,2,2, & ! | 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & ! | 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
@ -189,19 +195,23 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! bcc ! bcc
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
lattice_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< total # of twin systems per family for bcc LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< total # of twin systems per family for bcc
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_bcc_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for bcc
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
lattice_bcc_Nslip = 24_pInt, & ! sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc LATTICE_bcc_Nslip = 24_pInt, & ! sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
lattice_bcc_Ntwin = 12_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc LATTICE_bcc_Ntwin = 12_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc
lattice_bcc_NnonSchmid = 6_pInt !< # of non-Schmid contributions for bcc. 6 known non schmid contributions for BCC (A. Koester, A. Ma, A. Hartmaier 2012) LATTICE_bcc_NnonSchmid = 6_pInt, & !< # of non-Schmid contributions for bcc. 6 known non schmid contributions for BCC (A. Koester, A. Ma, A. Hartmaier 2012)
LATTICE_bcc_Ntrans = 0_pInt !< total # of transformations for bcc
real(pReal), dimension(3+3,lattice_bcc_Nslip), parameter, private :: & real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
lattice_bcc_systemSlip = reshape(real([& LATTICE_bcc_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Slip system <111>{110} ! Slip system <111>{110}
1,-1, 1, 0, 1, 1, & 1,-1, 1, 0, 1, 1, &
@ -254,10 +264,10 @@ module lattice
! 1, 1, 1, -3, 2, 1, & ! 1, 1, 1, -3, 2, 1, &
! 1, 1,-1, 3,-2, 1, & ! 1, 1,-1, 3,-2, 1, &
! 1,-1, 1, 3, 2,-1 & ! 1,-1, 1, 3, 2,-1 &
],pReal),[ 3_pInt + 3_pInt ,lattice_bcc_Nslip]) ],pReal),[ 3_pInt + 3_pInt ,LATTICE_bcc_Nslip])
real(pReal), dimension(3+3,lattice_bcc_Ntwin), parameter, private :: & real(pReal), dimension(3+3,LATTICE_bcc_Ntwin), parameter, private :: &
lattice_bcc_systemTwin = reshape(real([& LATTICE_bcc_systemTwin = reshape(real([&
! Twin system <111>{112} ! Twin system <111>{112}
-1, 1, 1, 2, 1, 1, & -1, 1, 1, 2, 1, 1, &
1, 1, 1, -2, 1, 1, & 1, 1, 1, -2, 1, 1, &
@ -271,13 +281,13 @@ module lattice
1,-1, 1, -1, 1, 2, & 1,-1, 1, -1, 1, 2, &
-1, 1, 1, 1,-1, 2, & -1, 1, 1, 1,-1, 2, &
1, 1, 1, 1, 1,-2 & 1, 1, 1, 1, 1,-2 &
],pReal),[ 3_pInt + 3_pInt,lattice_bcc_Ntwin]) ],pReal),[ 3_pInt + 3_pInt,LATTICE_bcc_Ntwin])
real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: & real(pReal), dimension(LATTICE_bcc_Ntwin), parameter, private :: &
lattice_bcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal) LATTICE_bcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal)
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), parameter, public :: & integer(pInt), dimension(LATTICE_bcc_Nslip,LATTICE_bcc_Nslip), parameter, public :: &
lattice_bcc_interactionSlipSlip = reshape(int( [& LATTICE_bcc_interactionSlipSlip = reshape(int( [&
1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! ---> slip 1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! ---> slip
2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! | 2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! | 6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! |
@ -310,8 +320,8 @@ module lattice
!< 4: mixed-asymmetrical junction !< 4: mixed-asymmetrical junction
!< 5: mixed-symmetrical junction !< 5: mixed-symmetrical junction
!< 6: edge junction !< 6: edge junction
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), parameter, public :: & integer(pInt), dimension(LATTICE_bcc_Nslip,LATTICE_bcc_Ntwin), parameter, public :: &
lattice_bcc_interactionSlipTwin = reshape(int( [& LATTICE_bcc_interactionSlipTwin = reshape(int( [&
3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin 3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin
3,3,2,3,3,2,3,3,2,3,3,3, & ! | 3,3,2,3,3,2,3,3,2,3,3,3, & ! |
3,2,3,3,3,3,2,3,3,3,3,2, & ! | 3,2,3,3,3,3,2,3,3,3,3,2, & ! |
@ -337,15 +347,15 @@ module lattice
3,3,3,2,2,3,3,3,3,1,3,3, & 3,3,3,2,2,3,3,3,3,1,3,3, &
2,3,3,3,3,3,3,2,3,3,1,3, & 2,3,3,3,3,3,3,2,3,3,1,3, &
3,2,3,3,3,3,2,3,3,3,3,1 & 3,2,3,3,3,3,2,3,3,3,3,1 &
],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin],order=[2,1]) !< Slip--twin interaction types for bcc ],pInt),[LATTICE_bcc_Nslip,LATTICE_bcc_Ntwin],order=[2,1]) !< Slip--twin interaction types for bcc
!< 1: coplanar interaction !< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip) !< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction !< 3: other interaction
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), parameter, public :: & integer(pInt), dimension(LATTICE_bcc_Ntwin,LATTICE_bcc_Nslip), parameter, public :: &
lattice_bcc_interactionTwinSlip = 1_pInt !< Twin--slip interaction types for bcc @todo not implemented yet LATTICE_bcc_interactionTwinSlip = 1_pInt !< Twin--slip interaction types for bcc @todo not implemented yet
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), parameter, public :: & integer(pInt), dimension(LATTICE_bcc_Ntwin,LATTICE_bcc_Ntwin), parameter, public :: &
lattice_bcc_interactionTwinTwin = reshape(int( [& LATTICE_bcc_interactionTwinTwin = reshape(int( [&
1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin 1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
3,1,3,3,3,3,2,3,3,3,3,2, & ! | 3,1,3,3,3,3,2,3,3,3,3,2, & ! |
3,3,1,3,3,2,3,3,2,3,3,3, & ! | 3,3,1,3,3,2,3,3,2,3,3,3, & ! |
@ -358,7 +368,7 @@ module lattice
3,3,3,2,2,3,3,3,3,1,3,3, & 3,3,3,2,2,3,3,3,3,1,3,3, &
2,3,3,3,3,3,3,2,3,3,1,3, & 2,3,3,3,3,3,3,2,3,3,1,3, &
3,2,3,3,3,3,2,3,3,3,3,1 & 3,2,3,3,3,3,2,3,3,3,3,1 &
],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin],order=[2,1]) !< Twin--twin interaction types for bcc ],pInt),[LATTICE_bcc_Ntwin,LATTICE_bcc_Ntwin],order=[2,1]) !< Twin--twin interaction types for bcc
!< 1: self interaction !< 1: self interaction
!< 2: collinear interaction !< 2: collinear interaction
!< 3: other interaction !< 3: other interaction
@ -366,19 +376,23 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hex ! hex
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
integer(pInt), parameter , private :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
lattice_hex_Nslip = 33_pInt, & ! sum(lattice_hex_NslipSystem), !< total # of slip systems for hex LATTICE_hex_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for hex
lattice_hex_Ntwin = 24_pInt, & ! sum(lattice_hex_NtwinSystem) !< total # of twin systems for hex
lattice_hex_NnonSchmid = 0_pInt !< # of non-Schmid contributions for hex
real(pReal), dimension(4+4,lattice_hex_Nslip), parameter, private :: & integer(pInt), parameter , private :: &
lattice_hex_systemSlip = reshape(real([& LATTICE_hex_Nslip = 33_pInt, & ! sum(lattice_hex_NslipSystem), !< total # of slip systems for hex
LATTICE_hex_Ntwin = 24_pInt, & ! sum(lattice_hex_NtwinSystem) !< total # of twin systems for hex
LATTICE_hex_NnonSchmid = 0_pInt, & !< # of non-Schmid contributions for hex
LATTICE_hex_Ntrans = 0_pInt !< total # of transformations for hex
real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
LATTICE_hex_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base)) ! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
2, -1, -1, 0, 0, 0, 0, 1, & 2, -1, -1, 0, 0, 0, 0, 1, &
@ -419,10 +433,10 @@ module lattice
-2, 1, 1, 3, 2, -1, -1, 2, & -2, 1, 1, 3, 2, -1, -1, 2, &
1, -2, 1, 3, -1, 2, -1, 2, & 1, -2, 1, 3, -1, 2, -1, 2, &
1, 1, -2, 3, -1, -1, 2, 2 & 1, 1, -2, 3, -1, -1, 2, 2 &
],pReal),[ 4_pInt + 4_pInt,lattice_hex_Nslip]) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr ],pReal),[ 4_pInt + 4_pInt,LATTICE_hex_Nslip]) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
real(pReal), dimension(4+4,lattice_hex_Ntwin), parameter, private :: & real(pReal), dimension(4+4,LATTICE_hex_Ntwin), parameter, private :: &
lattice_hex_systemTwin = reshape(real([& LATTICE_hex_systemTwin = reshape(real([&
! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981) ! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
1, -1, 0, 1, -1, 1, 0, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a) 1, -1, 0, 1, -1, 1, 0, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
-1, 0, 1, 1, 1, 0, -1, 2, & -1, 0, 1, 1, 1, 0, -1, 2, &
@ -451,10 +465,10 @@ module lattice
-2, 1, 1, -3, -2, 1, 1, 2, & -2, 1, 1, -3, -2, 1, 1, 2, &
1, -2, 1, -3, 1, -2, 1, 2, & 1, -2, 1, -3, 1, -2, 1, 2, &
1, 1, -2, -3, 1, 1, -2, 2 & 1, 1, -2, -3, 1, 1, -2, 2 &
],pReal),[ 4_pInt + 4_pInt ,lattice_hex_Ntwin]) !< twin systems for hex, order follows Prof. Tom Bieler's scheme; but numbering in data was restarted from 1 ],pReal),[ 4_pInt + 4_pInt ,LATTICE_hex_Ntwin]) !< twin systems for hex, order follows Prof. Tom Bieler's scheme; but numbering in data was restarted from 1
integer(pInt), dimension(lattice_hex_Ntwin), parameter, private :: & integer(pInt), dimension(LATTICE_hex_Ntwin), parameter, private :: &
lattice_hex_shearTwin = reshape(int( [& ! indicator to formula further below LATTICE_hex_shearTwin = reshape(int( [& ! indicator to formula further below
1, & ! <-10.1>{10.2} 1, & ! <-10.1>{10.2}
1, & 1, &
1, & 1, &
@ -479,10 +493,10 @@ module lattice
4, & 4, &
4, & 4, &
4 & 4 &
],pInt),[lattice_hex_Ntwin]) ],pInt),[LATTICE_hex_Ntwin])
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Nslip), parameter, public :: & integer(pInt), dimension(LATTICE_hex_Nslip,LATTICE_hex_Nslip), parameter, public :: &
lattice_hex_interactionSlipSlip = reshape(int( [& LATTICE_hex_interactionSlipSlip = reshape(int( [&
1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! ---> slip 1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! ---> slip
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! | 2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! | 2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
@ -522,10 +536,10 @@ module lattice
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,36,37, & 42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,36,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 & 42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 &
! !
],pInt),[lattice_hex_Nslip,lattice_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (32? in total) ],pInt),[LATTICE_hex_Nslip,LATTICE_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (32? in total)
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Ntwin), parameter, public :: & integer(pInt), dimension(LATTICE_hex_Nslip,LATTICE_hex_Ntwin), parameter, public :: &
lattice_hex_interactionSlipTwin = reshape(int( [& LATTICE_hex_interactionSlipTwin = reshape(int( [&
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
@ -565,10 +579,10 @@ module lattice
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, & 21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24 & 21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24 &
! !
],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin],order=[2,1]) !< Slip--twin interaction types for hex (isotropic, 24 in total) ],pInt),[LATTICE_hex_Nslip,LATTICE_hex_Ntwin],order=[2,1]) !< Slip--twin interaction types for hex (isotropic, 24 in total)
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Nslip), parameter, public :: & integer(pInt), dimension(LATTICE_hex_Ntwin,LATTICE_hex_Nslip), parameter, public :: &
lattice_hex_interactionTwinSlip = reshape(int( [& LATTICE_hex_interactionTwinSlip = reshape(int( [&
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! --> slip 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! --> slip
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! | 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! | 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
@ -596,10 +610,10 @@ module lattice
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 &
],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip],order=[2,1]) !< Twin--twin interaction types for hex (isotropic, 20 in total) ],pInt),[LATTICE_hex_Ntwin,LATTICE_hex_Nslip],order=[2,1]) !< Twin--twin interaction types for hex (isotropic, 20 in total)
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Ntwin), parameter, public :: & integer(pInt), dimension(LATTICE_hex_Ntwin,LATTICE_hex_Ntwin), parameter, public :: &
lattice_hex_interactionTwinTwin = reshape(int( [& LATTICE_hex_interactionTwinTwin = reshape(int( [&
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! ---> twin 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! ---> twin
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! | 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! | 2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
@ -813,7 +827,11 @@ subroutine lattice_init
integer(pInt), parameter :: MAXNCHUNKS = 2_pInt integer(pInt), parameter :: MAXNCHUNKS = 2_pInt
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt,i integer(pInt) :: section = 0_pInt,i
real(pReal), dimension(:), allocatable :: CoverA !< c/a ratio for hex type lattice real(pReal), dimension(:), allocatable :: &
CoverA, & !< c/a ratio for hex type lattice
aA, & !< lattice parameter a for fcc austenite
aM, & !< lattice paramater a for bcc martensite
cM !< lattice parameter c for bcc martensite
write(6,'(/,a)') ' <<<+- lattice init -+>>>' write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -822,12 +840,36 @@ subroutine lattice_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! consistency checks ! consistency checks
if (LATTICE_maxNslip /= maxval([lattice_fcc_Nslip,lattice_bcc_Nslip,lattice_hex_Nslip])) & if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip') call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip')
if (LATTICE_maxNtwin /= maxval([lattice_fcc_Ntwin,lattice_bcc_Ntwin,lattice_hex_Ntwin])) & if (LATTICE_maxNtwin /= maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtwin') call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtwin')
if (LATTICE_maxNtrans /= maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtrans')
if (LATTICE_maxNnonSchmid /= maxval([lattice_fcc_NnonSchmid,lattice_bcc_NnonSchmid,& if (LATTICE_maxNnonSchmid /= maxval([lattice_fcc_NnonSchmid,lattice_bcc_NnonSchmid,&
lattice_hex_NnonSchmid])) call IO_error(0_pInt,ext_msg = 'LATTICE_maxNnonSchmid') lattice_hex_NnonSchmid])) call IO_error(0_pInt,ext_msg = 'LATTICE_maxNnonSchmid')
if (LATTICE_fcc_Nslip /= sum(lattice_fcc_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Nslip')
if (LATTICE_bcc_Nslip /= sum(lattice_bcc_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Nslip')
if (LATTICE_hex_Nslip /= sum(lattice_hex_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Nslip')
if (LATTICE_fcc_Ntwin /= sum(lattice_fcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntwin')
if (LATTICE_bcc_Ntwin /= sum(lattice_bcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntwin')
if (LATTICE_hex_Ntwin /= sum(lattice_hex_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntwin')
if (LATTICE_fcc_Ntrans /= sum(lattice_fcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntrans')
if (LATTICE_bcc_Ntrans /= sum(lattice_bcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntrans')
if (LATTICE_hex_Ntrans /= sum(lattice_hex_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntrans')
if (LATTICE_maxNinteraction /= max(& if (LATTICE_maxNinteraction /= max(&
maxval(lattice_fcc_interactionSlipSlip), & maxval(lattice_fcc_interactionSlipSlip), &
maxval(lattice_bcc_interactionSlipSlip), & maxval(lattice_bcc_interactionSlipSlip), &
@ -888,6 +930,7 @@ subroutine lattice_init
allocate(lattice_NslipSystem(lattice_maxNslipFamily,Nphases),source=0_pInt) allocate(lattice_NslipSystem(lattice_maxNslipFamily,Nphases),source=0_pInt)
allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,Nphases),source=0_pInt) allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,Nphases),source=0_pInt)
allocate(lattice_NtransSystem(lattice_maxNtransFamily,Nphases),source=0_pInt)
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,Nphases),source=0_pInt) ! other:me allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,Nphases),source=0_pInt) ! other:me allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,Nphases),source=0_pInt) ! other:me
@ -895,6 +938,10 @@ subroutine lattice_init
allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,Nphases),source=0_pInt) ! other:me allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,Nphases),source=0_pInt) ! other:me
allocate(CoverA(Nphases),source=0.0_pReal) allocate(CoverA(Nphases),source=0.0_pReal)
allocate(aA(Nphases),source=0.0_pReal)
allocate(aM(Nphases),source=0.0_pReal)
allocate(cM(Nphases),source=0.0_pReal)
rewind(fileUnit) rewind(fileUnit)
line = '' ! to have it initialized line = '' ! to have it initialized
section = 0_pInt ! - " - section = 0_pInt ! - " -
@ -951,6 +998,12 @@ subroutine lattice_init
lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt)
case ('covera_ratio','c/a_ratio','c/a') case ('covera_ratio','c/a_ratio','c/a')
CoverA(section) = IO_floatValue(line,positions,2_pInt) CoverA(section) = IO_floatValue(line,positions,2_pInt)
case ('aa', 'a_a', 'a_austenite')
aA(section) = IO_floatValue(line,positions,2_pInt)
case ('am', 'a_m', 'a_martensite')
aM(section) = IO_floatValue(line,positions,2_pInt)
case ('cm', 'c_m', 'c_martensite')
cM(section) = IO_floatValue(line,positions,2_pInt)
case ('k11') case ('k11')
lattice_thermalConductivity33(1,1,section) = IO_floatValue(line,positions,2_pInt) lattice_thermalConductivity33(1,1,section) = IO_floatValue(line,positions,2_pInt)
case ('k22') case ('k22')
@ -978,10 +1031,10 @@ subroutine lattice_init
do i = 1_pInt,Nphases do i = 1_pInt,Nphases
if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) & if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) &
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(206_pInt) ! checking physical significance of c/a .and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(206_pInt) ! checking physical significance of c/a
call lattice_initializeStructure(i, CoverA(i)) call lattice_initializeStructure(i, CoverA(i), aA(i), aM(i), cM(i))
enddo enddo
deallocate(CoverA) deallocate(CoverA,aA,aM,cM)
end subroutine lattice_init end subroutine lattice_init
@ -989,7 +1042,7 @@ end subroutine lattice_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc. !> @brief Calculation of Schmid matrices, etc.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_initializeStructure(myPhase,CoverA) subroutine lattice_initializeStructure(myPhase,CoverA,aA,aM,cM)
use prec, only: & use prec, only: &
tol_math_check tol_math_check
use math, only: & use math, only: &
@ -1009,7 +1062,11 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
implicit none implicit none
integer(pInt), intent(in) :: myPhase integer(pInt), intent(in) :: myPhase
real(pReal), intent(in) :: CoverA real(pReal), intent(in) :: &
CoverA, &
aA, &
aM, &
cM
real(pReal), dimension(3) :: & real(pReal), dimension(3) :: &
sdU, snU, & sdU, snU, &
@ -1066,6 +1123,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
enddo enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_fcc_NtwinSystem lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_fcc_NtwinSystem
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_fcc_NtransSystem
lattice_NnonSchmid(myPhase) = lattice_fcc_NnonSchmid lattice_NnonSchmid(myPhase) = lattice_fcc_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_fcc_interactionSlipSlip lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_fcc_interactionSlipSlip
lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_fcc_interactionSlipTwin lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_fcc_interactionSlipTwin
@ -1106,6 +1164,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
enddo enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_bcc_NtwinSystem lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_bcc_NtwinSystem
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_bcc_NtransSystem
lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip
lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_bcc_interactionSlipTwin lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_bcc_interactionSlipTwin
@ -1147,6 +1206,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
enddo enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_hex_NtwinSystem lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_hex_NtwinSystem
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_hex_NtransSystem
lattice_NnonSchmid(myPhase) = lattice_hex_NnonSchmid lattice_NnonSchmid(myPhase) = lattice_hex_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_hex_interactionSlipSlip lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_hex_interactionSlipSlip
lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_hex_interactionSlipTwin lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_hex_interactionSlipTwin