fix merging conflict
This commit is contained in:
zhangc43
commit
513e3543b0
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@ -0,0 +1 @@
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postProc
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329
src/lattice.f90
329
src/lattice.f90
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@ -17,14 +17,8 @@ module lattice
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LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
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LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
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LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures
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LATTICE_maxNcleavageFamily = 3_pInt, & !< max # of transformation system families over lattice structures
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LATTICE_maxNslip = 52_pInt, & !< max # of slip systems over lattice structures
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LATTICE_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
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LATTICE_maxNinteraction = 182_pInt, & !< max # of interaction types (in hardening matrix part)
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LATTICE_maxNnonSchmid = 6_pInt, & !< max # of non schmid contributions over lattice structures
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LATTICE_maxNtrans = 12_pInt, & !< max # of transformations over lattice structures
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LATTICE_maxNcleavage = 9_pInt !< max # of cleavage over lattice structures
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LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
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integer(pInt), allocatable, dimension(:,:), protected, public :: &
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lattice_NslipSystem, & !< total # of slip systems in each family
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lattice_NtwinSystem, & !< total # of twin systems in each family
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@ -32,22 +26,22 @@ module lattice
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lattice_NcleavageSystem !< total # of transformation systems in each family
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integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
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lattice_interactionSlipSlip, & !< Slip--slip interaction type
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lattice_interactionSlipTwin, & !< Slip--twin interaction type
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lattice_interactionTwinSlip, & !< Twin--slip interaction type
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lattice_interactionTwinTwin, & !< Twin--twin interaction type
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lattice_interactionSlipTrans, & !< Slip--trans interaction type
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lattice_interactionTransSlip, & !< Trans--slip interaction type
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lattice_interactionSlipSlip, & !< Slip--slip interaction type
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lattice_interactionSlipTwin, & !< Slip--twin interaction type
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lattice_interactionTwinSlip, & !< Twin--slip interaction type
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lattice_interactionTwinTwin, & !< Twin--twin interaction type
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lattice_interactionSlipTrans, & !< Slip--trans interaction type
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lattice_interactionTransSlip, & !< Trans--slip interaction type
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lattice_interactionTransTrans !< Trans--trans interaction type
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real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
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lattice_Sslip, & !< Schmid and non-Schmid matrices
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lattice_Scleavage !< Schmid matrices for cleavage systems
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real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
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lattice_Sslip_v, & !< Mandel notation of lattice_Sslip
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lattice_Scleavage_v !< Mandel notation of lattice_Scleavege
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real(pReal), allocatable, dimension(:,:,:), protected, public :: &
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lattice_sn, & !< normal direction of slip system
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lattice_sd, & !< slip direction of slip system
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@ -80,26 +74,26 @@ module lattice
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lattice_NnonSchmid !< total # of non-Schmid contributions for each structure
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!--------------------------------------------------------------------------------------------------
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! fcc
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
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LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc
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! face centered cubic
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
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LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc
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integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
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LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc
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LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
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integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
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LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< total # of transformation systems per family for fcc
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LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< # of transformation systems per family for fcc
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integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
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LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< total # of cleavage systems per family for fcc
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LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc
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integer(pInt), parameter, private :: &
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LATTICE_fcc_Nslip = 12_pInt, & ! sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
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LATTICE_fcc_Ntwin = 12_pInt, & ! sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc
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LATTICE_fcc_Nslip = 12_pInt, & !sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
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LATTICE_fcc_Ntwin = 12_pInt, & !sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc
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LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
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LATTICE_fcc_Ntrans = 12_pInt, & !< total # of transformations for fcc
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LATTICE_fcc_Ncleavage = 7_pInt !< total # of cleavage systems for fcc
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LATTICE_fcc_Ntrans = 12_pInt, & !sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc
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LATTICE_fcc_Ncleavage = 7_pInt !sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc
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real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
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LATTICE_fcc_systemSlip = reshape(real([&
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! Slip direction Plane normal
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@ -260,10 +254,10 @@ module lattice
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2,2,2,2,2,2,2,2,2,1,1,1, &
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2,2,2,2,2,2,2,2,2,1,1,1 &
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],pInt),[LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans],order=[2,1]) !< Trans--trans interaction types for fcc
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real(pReal), dimension(LATTICE_fcc_Ntrans), parameter, private :: &
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LATTICE_fccTohex_shearTrans = sqrt(2.0_pReal)/4.0_pReal
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real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter, private :: &
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LATTICE_fccTobcc_systemTrans = reshape([&
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0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
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@ -293,7 +287,7 @@ module lattice
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0, 0, 1, 1, 0, 0, 0, 1, 0, &
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0, 0, 1, 1, 0, 0, 0, 1, 0, &
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0, 0, 1, 1, 0, 0, 0, 1, 0, &
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0, 0, 1, 1, 0, 0, 0, 1, 0 &
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0, 0, 1, 1, 0, 0, 0, 1, 0 &
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],pInt),[ 9_pInt, LATTICE_fcc_Ntrans])
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real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter, private :: &
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@ -312,9 +306,9 @@ module lattice
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0.0, 0.0, 1.0, 45.0 &
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],[ 4_pInt,LATTICE_fcc_Ntrans])
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real(pReal), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans), parameter, private :: & ! Matrix for projection of shear from slip system to fault-band (twin) systems
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LATTICE_fccTobcc_projectionTrans = reshape(real([& ! For ns = nt = nr
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0, 1,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
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real(pReal), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans), parameter, private :: & ! Matrix for projection of shear from slip system to fault-band (twin) systems
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LATTICE_fccTobcc_projectionTrans = reshape(real([& ! For ns = nt = nr
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0, 1,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
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-1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
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1,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
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0, 0, 0, 0, 1,-1, 0, 0, 0, 0, 0, 0, &
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@ -363,31 +357,31 @@ module lattice
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],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Ncleavage])
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!--------------------------------------------------------------------------------------------------
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! bcc
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! body centered cubic
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
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LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc
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LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], pInt) !< # of slip systems per family for bcc
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integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
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LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< total # of twin systems per family for bcc
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LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
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integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
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LATTICE_bcc_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for bcc
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LATTICE_bcc_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bcc
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integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
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LATTICE_bcc_NcleavageSystem = int([3,6,0],pInt) !< total # of cleavage systems per family for bcc
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integer(pInt), parameter, private :: &
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LATTICE_bcc_Nslip = 24_pInt, & ! sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
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LATTICE_bcc_Ntwin = 12_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc
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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)
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LATTICE_bcc_Ntrans = 0_pInt, & !< total # of transformations for bcc
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LATTICE_bcc_Ncleavage = 9_pInt !< total # of cleavage systems for bcc
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LATTICE_bcc_NcleavageSystem = int([3,6,0],pInt) !< # of cleavage systems per family for bcc
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integer(pInt), parameter, private :: &
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LATTICE_bcc_Nslip = 24_pInt, & !sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
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LATTICE_bcc_Ntwin = 12_pInt, & !sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc
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LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
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LATTICE_bcc_Ntrans = 0_pInt, & !sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
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LATTICE_bcc_Ncleavage = 9_pInt !sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
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real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
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LATTICE_bcc_systemSlip = reshape(real([&
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! Slip direction Plane normal
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! Slip system <111>{110}
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! Slip system <111>{110}
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1,-1, 1, 0, 1, 1, &
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-1,-1, 1, 0, 1, 1, &
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1, 1, 1, 0,-1, 1, &
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@ -462,7 +456,7 @@ module lattice
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integer(pInt), dimension(LATTICE_bcc_Nslip,LATTICE_bcc_Nslip), parameter, public :: &
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LATTICE_bcc_interactionSlipSlip = reshape(int( [&
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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
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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
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2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
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6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! |
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6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, & ! v slip
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@ -499,7 +493,7 @@ module lattice
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3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin
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3,3,2,3,3,2,3,3,2,3,3,3, & ! |
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3,2,3,3,3,3,2,3,3,3,3,2, & ! |
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2,3,3,3,3,3,3,2,3,3,2,3, & ! v slip
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2,3,3,3,3,3,3,2,3,3,2,3, & ! v slip
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2,3,3,3,3,3,3,2,3,3,2,3, &
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3,3,2,3,3,2,3,3,2,3,3,3, &
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3,2,3,3,3,3,2,3,3,3,3,2, &
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@ -561,25 +555,25 @@ module lattice
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],pReal),[ 3_pInt + 3_pInt,LATTICE_bcc_Ncleavage])
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!--------------------------------------------------------------------------------------------------
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! hex
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! hexagonal
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
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lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for hex
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integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
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lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
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lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
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integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
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LATTICE_hex_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for hex
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LATTICE_hex_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for hex
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integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
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LATTICE_hex_NcleavageSystem = int([3,0,0],pInt) !< total # of cleavage systems per family for hex
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integer(pInt), parameter , private :: &
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LATTICE_hex_Nslip = 33_pInt, & ! sum(lattice_hex_NslipSystem), !< total # of slip systems for hex
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LATTICE_hex_Ntwin = 24_pInt, & ! sum(lattice_hex_NtwinSystem) !< total # of twin systems for hex
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LATTICE_hex_NnonSchmid = 0_pInt, & !< # of non-Schmid contributions for hex
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LATTICE_hex_Ntrans = 0_pInt, & !< total # of transformations for hex
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LATTICE_hex_Ncleavage = 3_pInt !< total # of transformations for hex
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LATTICE_hex_NcleavageSystem = int([3,0,0],pInt) !< # of cleavage systems per family for hex
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integer(pInt), parameter, private :: &
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LATTICE_hex_Nslip = 33_pInt, & !sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex
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LATTICE_hex_Ntwin = 24_pInt, & !sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex
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LATTICE_hex_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex
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LATTICE_hex_Ntrans = 0_pInt, & !sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex
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LATTICE_hex_Ncleavage = 3_pInt !sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex
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real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
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LATTICE_hex_systemSlip = reshape(real([&
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@ -616,7 +610,7 @@ module lattice
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2, -1, -1, 3, -1, 0, 1, 1, &
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1, -2, 1, 3, 0, 1, -1, 1, &
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-1, -1, 2, 3, 0, 1, -1, 1, &
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! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
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! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
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2, -1, -1, 3, -2, 1, 1, 2, & ! sorted according to similar twin system
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-1, 2, -1, 3, 1, -2, 1, 2, & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
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-1, -1, 2, 3, 1, 1, -2, 2, &
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@ -655,7 +649,7 @@ module lattice
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-2, 1, 1, -3, -2, 1, 1, 2, &
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1, -2, 1, -3, 1, -2, 1, 2, &
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1, 1, -2, -3, 1, 1, -2, 2 &
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],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
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],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
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integer(pInt), dimension(LATTICE_hex_Ntwin), parameter, private :: &
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LATTICE_hex_shearTwin = reshape(int( [& ! indicator to formula further below
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@ -684,7 +678,7 @@ module lattice
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4, &
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4 &
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],pInt),[LATTICE_hex_Ntwin])
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integer(pInt), dimension(LATTICE_hex_Nslip,LATTICE_hex_Nslip), parameter, public :: &
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LATTICE_hex_interactionSlipSlip = reshape(int( [&
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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
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@ -724,10 +718,10 @@ module lattice
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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, 37,37,36,37,37,37, &
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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, 37,37,37,36,37,37, &
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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, &
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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 &
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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 &
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!
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],pInt),[LATTICE_hex_Nslip,LATTICE_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (onion peel naming scheme)
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integer(pInt), dimension(LATTICE_hex_Nslip,LATTICE_hex_Ntwin), parameter, public :: &
|
||||
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
|
||||
|
|
@ -735,7 +729,7 @@ module lattice
|
|||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
|
||||
! v
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
|
||||
!
|
||||
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
|
||||
|
|
@ -769,7 +763,7 @@ 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 &
|
||||
!
|
||||
],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 :: &
|
||||
LATTICE_hex_interactionTwinSlip = reshape(int( [&
|
||||
|
|
@ -844,27 +838,26 @@ module lattice
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! bct
|
||||
! body centered tetragonal
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_bct_NslipSystem = int([2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ],pInt) !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< total # of twin systems per family for bct-example
|
||||
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_bct_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for bct
|
||||
LATTICE_bct_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bct
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_bct_NcleavageSystem = int([0,0,0],pInt) !< total # of cleavage systems per family for bct
|
||||
|
||||
|
||||
integer(pInt), parameter , private :: &
|
||||
LATTICE_bct_Nslip = 52_pInt, & ! sum(lattice_bct_NslipSystem), !< total # of slip systems for bct
|
||||
LATTICE_bct_Ntwin = 0_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bct
|
||||
LATTICE_bct_NnonSchmid = 0_pInt, & !< # of non-Schmid contributions for bct
|
||||
LATTICE_bct_Ntrans = 0_pInt, & !< total # of transformations for bct
|
||||
LATTICE_bct_Ncleavage = 0_pInt !< total # of transformations for bct
|
||||
|
||||
LATTICE_bct_NcleavageSystem = int([0,0,0],pInt) !< # of cleavage systems per family for bct
|
||||
|
||||
integer(pInt), parameter, private :: &
|
||||
LATTICE_bct_Nslip = 52_pInt, & !sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct
|
||||
LATTICE_bct_Ntwin = 0_pInt, & !sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct
|
||||
LATTICE_bct_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct
|
||||
LATTICE_bct_Ntrans = 0_pInt, & !sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct
|
||||
LATTICE_bct_Ncleavage = 0_pInt !sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: &
|
||||
LATTICE_bct_systemSlip = reshape(real([&
|
||||
! Slip direction Plane normal
|
||||
|
|
@ -874,7 +867,7 @@ module lattice
|
|||
! Slip family 2 {110)<001]
|
||||
0, 0, 1, 1, 1, 0, &
|
||||
0, 0, 1, -1, 1, 0, &
|
||||
! slip family 3 {100)<010]
|
||||
! slip family 3 {100)<010]
|
||||
0, 1, 0, 1, 0, 0, &
|
||||
1, 0, 0, 0, 1, 0, &
|
||||
! Slip family 4 {110)<1-11]/2
|
||||
|
|
@ -885,54 +878,54 @@ module lattice
|
|||
! Slip family 5 {110)<1-10]
|
||||
1, -1, 0, 1, 1, 0, &
|
||||
1, 1, 0, 1,-1, 0, &
|
||||
! Slip family 6 {100)<011]
|
||||
! Slip family 6 {100)<011]
|
||||
0, 1, 1, 1, 0, 0, &
|
||||
0,-1, 1, 1, 0, 0, &
|
||||
-1, 0, 1, 0, 1, 0, &
|
||||
1, 0, 1, 0, 1, 0, &
|
||||
! Slip family 7 {001)<010]
|
||||
1, 0, 1, 0, 1, 0, &
|
||||
! Slip family 7 {001)<010]
|
||||
0, 1, 0, 0, 0, 1, &
|
||||
1, 0, 0, 0, 0, 1, &
|
||||
! Slip family 8 {001)<110]
|
||||
! Slip family 8 {001)<110]
|
||||
1, 1, 0, 0, 0, 1, &
|
||||
-1, 1, 0, 0, 0, 1, &
|
||||
! Slip family 9 {011)<01-1]
|
||||
-1, 1, 0, 0, 0, 1, &
|
||||
! Slip family 9 {011)<01-1]
|
||||
0, 1,-1, 0, 1, 1, &
|
||||
0,-1,-1, 0,-1, 1, &
|
||||
-1, 0,-1, -1, 0, 1, &
|
||||
1, 0,-1, 1, 0, 1, &
|
||||
! Slip family 10 {011)<1-11]/2
|
||||
1, 0,-1, 1, 0, 1, &
|
||||
! Slip family 10 {011)<1-11]/2
|
||||
1,-1, 1, 0, 1, 1, &
|
||||
1, 1,-1, 0, 1, 1, &
|
||||
1, 1, 1, 0, 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, 1, 1, 0,-1, &
|
||||
1,-1, 1, 1, 0,-1, &
|
||||
! Slip family 11 {011)<100]
|
||||
1,-1, 1, 1, 0,-1, &
|
||||
! Slip family 11 {011)<100]
|
||||
1, 0, 0, 0, 1, 1, &
|
||||
1, 0, 0, 0, 1,-1, &
|
||||
0, 1, 0, 1, 0, 1, &
|
||||
0, 1, 0, 1, 0,-1, &
|
||||
! Slip family 12 {211)<01-1]
|
||||
0, 1, 0, 1, 0,-1, &
|
||||
! Slip family 12 {211)<01-1]
|
||||
0, 1,-1, 2, 1, 1, &
|
||||
0,-1,-1, 2,-1, 1, &
|
||||
1, 0,-1, 1, 2, 1, &
|
||||
-1, 0,-1, -1, 2, 1, &
|
||||
-1, 0,-1, -1, 2, 1, &
|
||||
0, 1,-1, -2, 1, 1, &
|
||||
0,-1,-1, -2,-1, 1, &
|
||||
-1, 0,-1, -1,-2, 1, &
|
||||
1, 0,-1, 1,-2, 1, &
|
||||
! Slip family 13 {211)<-111]/2
|
||||
1, 0,-1, 1,-2, 1, &
|
||||
! Slip family 13 {211)<-111]/2
|
||||
-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, 1, -1, 2, 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, 1, 1,-2, 1 &
|
||||
],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Nslip]) !< slip systems for bct sorted by Bieler
|
||||
|
||||
integer(pInt), dimension(LATTICE_bct_Nslip,LATTICE_bct_Nslip), parameter, public :: &
|
||||
|
|
@ -942,7 +935,7 @@ module lattice
|
|||
!
|
||||
6, 6, 4, 5, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, &
|
||||
6, 6, 5, 4, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, &
|
||||
!
|
||||
!
|
||||
12, 12, 11, 11, 9, 10, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
|
||||
12, 12, 11, 11, 10, 9, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
|
||||
!
|
||||
|
|
@ -1002,15 +995,28 @@ module lattice
|
|||
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,169,170, &
|
||||
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,170,169 &
|
||||
|
||||
],pInt),[lattice_bct_Nslip,lattice_bct_Nslip],order=[2,1])
|
||||
],pInt),[lattice_bct_Nslip,lattice_bct_Nslip],order=[2,1])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! isotropic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_iso_NslipSystem = int([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ],pInt) !< # of slip systems per family for iso
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_iso_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for iso
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_iso_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for iso
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_iso_NcleavageSystem = int([3,0,0],pInt) !< total # of cleavage systems per family for isotropic
|
||||
|
||||
LATTICE_iso_NcleavageSystem = int([3,0,0],pInt) !< # of cleavage systems per family for iso
|
||||
|
||||
integer(pInt), parameter, private :: &
|
||||
LATTICE_iso_Ncleavage = 3_pInt !< total # of cleavage systems for bcc
|
||||
LATTICE_iso_Nslip = 0_pInt, & !sum(lattice_iso_NslipSystem), & !< total # of slip systems for iso
|
||||
LATTICE_iso_Ntwin = 0_pInt, & !sum(lattice_iso_NtwinSystem), & !< total # of twin systems for iso
|
||||
LATTICE_iso_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for iso
|
||||
LATTICE_iso_Ntrans = 0_pInt, & !sum(lattice_iso_NtransSystem), & !< total # of transformation systems for iso
|
||||
LATTICE_iso_Ncleavage = 3_pInt !sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
|
||||
LATTICE_iso_systemCleavage = reshape(real([&
|
||||
|
|
@ -1022,11 +1028,24 @@ module lattice
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! orthorhombic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_ortho_NslipSystem = int([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ],pInt) !< # of slip systems per family for ortho
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_ortho_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for ortho
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_ortho_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for ortho
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_ortho_NcleavageSystem = int([1,1,1],pInt) !< total # of cleavage systems per family for orthotropic
|
||||
|
||||
LATTICE_ortho_NcleavageSystem = int([1,1,1],pInt) !< # of cleavage systems per family for ortho
|
||||
|
||||
integer(pInt), parameter, private :: &
|
||||
LATTICE_ortho_Ncleavage = 3_pInt !< total # of cleavage systems for bcc
|
||||
LATTICE_ortho_Nslip = 0_pInt, & !sum(lattice_ortho_NslipSystem), & !< total # of slip systems for ortho
|
||||
LATTICE_ortho_Ntwin = 0_pInt, & !sum(lattice_ortho_NtwinSystem), & !< total # of twin systems for ortho
|
||||
LATTICE_ortho_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for ortho
|
||||
LATTICE_ortho_Ntrans = 0_pInt, & !sum(lattice_ortho_NtransSystem), & !< total # of transformation systems for ortho
|
||||
LATTICE_ortho_Ncleavage = 3_pInt !sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: &
|
||||
LATTICE_ortho_systemCleavage = reshape(real([&
|
||||
|
|
@ -1036,7 +1055,27 @@ module lattice
|
|||
1, 0, 0, 0, 0, 1 &
|
||||
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage])
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
||||
integer(pInt), parameter, public :: &
|
||||
LATTICE_maxNslip = 52_pInt, &
|
||||
!LATTICE_maxNslip = maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,\
|
||||
! LATTICE_bct_Nslip,LATTICE_iso_Nslip,LATTICE_ortho_Nslip]), & !< max # of slip systems over lattice structures
|
||||
LATTICE_maxNtwin = 24_pInt, &
|
||||
!LATTICE_maxNtwin = maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin,\
|
||||
! LATTICE_bct_Ntwin,LATTICE_iso_Ntwin,LATTICE_ortho_Ntwin]), & !< max # of twin systems over lattice structures
|
||||
LATTICE_maxNnonSchmid = 6_pInt, &
|
||||
!LATTICE_maxNtwin = maxval([LATTICE_fcc_NnonSchmid,LATTICE_bcc_NnonSchmid,\
|
||||
! LATTICE_hex_NnonSchmid,LATTICE_bct_NnonSchmid,\
|
||||
! LATTICE_iso_NnonSchmid,LATTICE_ortho_NnonSchmid]), & !< max # of non-Schmid contributions over lattice structures
|
||||
LATTICE_maxNtrans = 12_pInt, &
|
||||
!LATTICE_maxNtrans = maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans,\
|
||||
! LATTICE_bct_Ntrans,LATTICE_iso_Ntrans,LATTICE_ortho_Ntrans]),&!< max # of transformation systems over lattice structures
|
||||
LATTICE_maxNcleavage = 9_pInt, &
|
||||
!LATTICE_maxNcleavage = maxval([LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage,\
|
||||
! LATTICE_hex_Ncleavage,LATTICE_bct_Ncleavage,\
|
||||
! LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage]) !< max # of cleavage systems over lattice structures
|
||||
LATTICE_maxNinteraction = 182_pInt !< max # of interaction types (in hardening matrix part)
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
||||
lattice_C66, lattice_trans_C66
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
|
||||
lattice_C3333, lattice_trans_C3333
|
||||
|
|
@ -1083,7 +1122,7 @@ module lattice
|
|||
|
||||
|
||||
integer(pInt), dimension(2), parameter, private :: &
|
||||
lattice_NsymOperations = [24_pInt,12_pInt]
|
||||
lattice_NsymOperations = [24_pInt,12_pInt]
|
||||
|
||||
real(pReal), dimension(4,36), parameter, private :: &
|
||||
lattice_symOperations = reshape([&
|
||||
|
|
@ -1231,7 +1270,7 @@ subroutine lattice_init
|
|||
debug_levelBasic
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: FILEUNIT = 200_pInt
|
||||
integer(pInt) :: Nphases
|
||||
|
|
@ -1242,18 +1281,18 @@ subroutine lattice_init
|
|||
integer(pInt) :: section = 0_pInt,i
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
CoverA, & !!!!!!< c/a ratio for low symmetry type lattice
|
||||
CoverA_trans, & !< c/a ratio for transformed hex type lattice
|
||||
CoverA_trans, & !< c/a ratio for transformed hex type lattice
|
||||
a_fcc, & !< lattice parameter a for fcc austenite
|
||||
a_bcc !< lattice paramater a for bcc martensite
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- lattice init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! consistency checks
|
||||
! consistency checks (required since ifort 15.0 does not support sum/maxval in parameter definition)
|
||||
|
||||
if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,LATTICE_bct_Nslip])) &
|
||||
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip')
|
||||
|
|
@ -1336,7 +1375,7 @@ subroutine lattice_init
|
|||
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a16,1x,i5)') ' # phases:',Nphases
|
||||
endif
|
||||
|
||||
|
||||
allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
|
||||
allocate(trans_lattice_structure(Nphases),source = LATTICE_undefined_ID)
|
||||
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
|
||||
|
|
@ -1424,7 +1463,7 @@ subroutine lattice_init
|
|||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
exit
|
||||
endif
|
||||
if (IO_getTag(line,'[',']') /= '') then ! next section
|
||||
section = section + 1_pInt
|
||||
|
|
@ -1578,7 +1617,7 @@ subroutine lattice_init
|
|||
end select
|
||||
endif
|
||||
enddo
|
||||
|
||||
|
||||
do i = 1_pInt,Nphases
|
||||
if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) &
|
||||
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(131_pInt,el=i) ! checking physical significance of c/a
|
||||
|
|
@ -1615,7 +1654,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
use IO, only: &
|
||||
IO_error, &
|
||||
IO_warning
|
||||
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: myPhase
|
||||
real(pReal), intent(in) :: &
|
||||
|
|
@ -1652,7 +1691,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
|
||||
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
|
||||
lattice_C66(1:6,1:6,myPhase))
|
||||
|
||||
|
||||
lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
|
||||
- lattice_C66(1,2,myPhase) &
|
||||
+ 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
||||
|
|
@ -1698,7 +1737,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
lattice_trans_C66(1,3,myPhase) = c13bar
|
||||
lattice_trans_C66(3,3,myPhase) = c33bar
|
||||
lattice_trans_C66(4,4,myPhase) = c44bar - B
|
||||
|
||||
|
||||
lattice_trans_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(trans_lattice_structure(myPhase),&
|
||||
lattice_trans_C66(1:6,1:6,myPhase))
|
||||
lattice_trans_mu(myPhase) = 0.2_pReal *( lattice_trans_C66(1,1,myPhase) &
|
||||
|
|
@ -1735,7 +1774,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
lattice_hydrogenfluxDiffusion33(1:3,1:3,myPhase))
|
||||
lattice_hydrogenfluxMobility33(1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||
lattice_hydrogenfluxMobility33(1:3,1:3,myPhase))
|
||||
|
||||
|
||||
select case(lattice_structure(myPhase))
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! fcc
|
||||
|
|
@ -1747,7 +1786,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
do i = 1_pInt,myNslip ! assign slip system vectors
|
||||
sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
|
||||
sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
|
||||
enddo
|
||||
enddo
|
||||
do i = 1_pInt,myNtwin ! assign twin system vectors and shears
|
||||
td(1:3,i) = lattice_fcc_systemTwin(1:3,i)
|
||||
tn(1:3,i) = lattice_fcc_systemTwin(4:6,i)
|
||||
|
|
@ -1757,11 +1796,11 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
cd(1:3,i) = lattice_fcc_systemCleavage(1:3,i)/norm2(lattice_fcc_systemCleavage(1:3,i))
|
||||
cn(1:3,i) = lattice_fcc_systemCleavage(4:6,i)/norm2(lattice_fcc_systemCleavage(4:6,i))
|
||||
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
||||
enddo
|
||||
enddo
|
||||
|
||||
! Phase transformation
|
||||
select case(trans_lattice_structure(myPhase))
|
||||
case (LATTICE_bcc_ID) ! fcc to bcc transformation
|
||||
case (LATTICE_bcc_ID) ! fcc to bcc transformation
|
||||
do i = 1_pInt,myNtrans
|
||||
Rtr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_systemTrans(1:3,i), & ! Pitsch rotation
|
||||
lattice_fccTobcc_systemTrans(4,i)*INRAD)
|
||||
|
|
@ -1857,7 +1896,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
cd(1:3,i) = lattice_bcc_systemCleavage(1:3,i)/norm2(lattice_bcc_systemCleavage(1:3,i))
|
||||
cn(1:3,i) = lattice_bcc_systemCleavage(4:6,i)/norm2(lattice_bcc_systemCleavage(4:6,i))
|
||||
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
||||
enddo
|
||||
enddo
|
||||
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
|
||||
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_bcc_NtwinSystem
|
||||
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_bcc_NtransSystem
|
||||
|
|
@ -1867,7 +1906,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_bcc_interactionSlipTwin
|
||||
lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myPhase) = lattice_bcc_interactionTwinSlip
|
||||
lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myPhase) = lattice_bcc_interactionTwinTwin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
|
||||
case (LATTICE_hex_ID)
|
||||
|
|
@ -1875,7 +1914,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
myNtwin = lattice_hex_Ntwin
|
||||
myNtrans = lattice_hex_Ntrans
|
||||
myNcleavage = lattice_hex_Ncleavage
|
||||
do i = 1_pInt,myNslip ! assign slip system vectors
|
||||
do i = 1_pInt,myNslip ! assign slip system vectors
|
||||
sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
|
||||
sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*&
|
||||
0.5_pReal*sqrt(3.0_pReal)
|
||||
|
|
@ -1883,7 +1922,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
|
||||
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
|
||||
sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
|
||||
enddo
|
||||
enddo
|
||||
do i = 1_pInt,myNtwin ! assign twin system vectors and shears
|
||||
td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal
|
||||
td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*&
|
||||
|
|
@ -1903,7 +1942,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
|
||||
end select
|
||||
enddo
|
||||
do i = 1_pInt, myNcleavage ! cleavage system vectors
|
||||
do i = 1_pInt, myNcleavage ! cleavage system vectors
|
||||
cd(1,i) = lattice_hex_systemCleavage(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
|
||||
cd(2,i) = (lattice_hex_systemCleavage(1,i)+2.0_pReal*lattice_hex_systemCleavage(2,i))*&
|
||||
0.5_pReal*sqrt(3.0_pReal)
|
||||
|
|
@ -1914,7 +1953,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
cn(3,i) = lattice_hex_systemCleavage(8,i)/CoverA
|
||||
cn(1:3,1) = cn(1:3,i)/norm2(cn(1:3,i))
|
||||
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
||||
enddo
|
||||
enddo
|
||||
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem
|
||||
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_hex_NtwinSystem
|
||||
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_hex_NtransSystem
|
||||
|
|
@ -1957,7 +1996,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
cd(1:3,i) = lattice_iso_systemCleavage(1:3,i)/norm2(LATTICE_ortho_systemCleavage(1:3,i))
|
||||
cn(1:3,i) = lattice_iso_systemCleavage(4:6,i)/norm2(LATTICE_ortho_systemCleavage(4:6,i))
|
||||
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
||||
enddo
|
||||
enddo
|
||||
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_iso_NcleavageSystem
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -1971,7 +2010,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
cd(1:3,i) = lattice_iso_systemCleavage(1:3,i)/norm2(lattice_iso_systemCleavage(1:3,i))
|
||||
cn(1:3,i) = lattice_iso_systemCleavage(4:6,i)/norm2(lattice_iso_systemCleavage(4:6,i))
|
||||
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
||||
enddo
|
||||
enddo
|
||||
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_iso_NcleavageSystem
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -1991,7 +2030,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
do j = 1_pInt,lattice_NnonSchmid(myPhase)
|
||||
lattice_Sslip(1:3,1:3,2*j ,i,myPhase) = sns(1:3,1:3,1,j,i)
|
||||
lattice_Sslip(1:3,1:3,2*j+1,i,myPhase) = sns(1:3,1:3,2,j,i)
|
||||
enddo
|
||||
enddo
|
||||
do j = 1_pInt,1_pInt+2_pInt*lattice_NnonSchmid(myPhase)
|
||||
lattice_Sslip_v(1:6,j,i,myPhase) = &
|
||||
math_Mandel33to6(math_symmetric33(lattice_Sslip(1:3,1:3,j,i,myPhase)))
|
||||
|
|
@ -2027,7 +2066,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
|||
math_Mandel33to6(math_symmetric33(lattice_Scleavage(1:3,1:3,j,i,myPhase)))
|
||||
enddo
|
||||
enddo
|
||||
|
||||
|
||||
end subroutine lattice_initializeStructure
|
||||
|
||||
|
||||
|
|
@ -2043,7 +2082,7 @@ pure function lattice_symmetrizeC66(struct,C66)
|
|||
integer(pInt) :: j,k
|
||||
|
||||
lattice_symmetrizeC66 = 0.0_pReal
|
||||
|
||||
|
||||
select case(struct)
|
||||
case (LATTICE_iso_ID)
|
||||
forall(k=1_pInt:3_pInt)
|
||||
|
|
@ -2056,7 +2095,7 @@ pure function lattice_symmetrizeC66(struct,C66)
|
|||
forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2)
|
||||
lattice_symmetrizeC66(k,k) = C66(1,1)
|
||||
lattice_symmetrizeC66(k+3_pInt,k+3_pInt) = C66(4,4)
|
||||
end forall
|
||||
end forall
|
||||
case (LATTICE_hex_ID)
|
||||
lattice_symmetrizeC66(1,1) = C66(1,1)
|
||||
lattice_symmetrizeC66(2,2) = C66(1,1)
|
||||
|
|
@ -2099,7 +2138,7 @@ pure function lattice_symmetrizeC66(struct,C66)
|
|||
case default
|
||||
lattice_symmetrizeC66 = C66
|
||||
end select
|
||||
|
||||
|
||||
end function lattice_symmetrizeC66
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -2114,7 +2153,7 @@ pure function lattice_symmetrize33(struct,T33)
|
|||
integer(pInt) :: k
|
||||
|
||||
lattice_symmetrize33 = 0.0_pReal
|
||||
|
||||
|
||||
select case(struct)
|
||||
case (LATTICE_iso_ID,LATTICE_fcc_ID,LATTICE_bcc_ID)
|
||||
forall(k=1_pInt:3_pInt) lattice_symmetrize33(k,k) = T33(1,1)
|
||||
|
|
@ -2129,7 +2168,7 @@ pure function lattice_symmetrize33(struct,T33)
|
|||
case default
|
||||
lattice_symmetrize33 = T33
|
||||
end select
|
||||
|
||||
|
||||
end function lattice_symmetrize33
|
||||
|
||||
|
||||
|
|
@ -2213,7 +2252,7 @@ pure function lattice_qDisorientation(Q1, Q2, struct)
|
|||
dQ = math_qMul(math_qConj(Q1),Q2)
|
||||
lattice_qDisorientation = dQ
|
||||
|
||||
select case(symmetry)
|
||||
select case(symmetry)
|
||||
|
||||
case (1_pInt,2_pInt)
|
||||
s = sum(lattice_NsymOperations(1:symmetry-1_pInt))
|
||||
|
|
|
|||
|
|
@ -839,6 +839,9 @@ subroutine math_invert(myDim,A, InvA, error)
|
|||
|
||||
real(pReal), dimension(myDim,myDim), intent(out) :: invA
|
||||
logical, intent(out) :: error
|
||||
external :: &
|
||||
dgetrf, &
|
||||
dgetri
|
||||
|
||||
invA = A
|
||||
call dgetrf(myDim,myDim,invA,myDim,ipiv,ierr)
|
||||
|
|
|
|||
Loading…
Reference in New Issue