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DAMASK_EICMD
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using function for cleavage system definition 

only internally since damage related constitutive laws will be
re-written anyway
This commit is contained in:
Martin Diehl 2018-12-11 08:03:40 +01:00
parent 754e5a960b
commit ef23095332
1 changed files with 51 additions and 71 deletions
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122
src/lattice.f90
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@ -775,18 +775,18 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! orthorhombic ! orthorhombic
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_ortho_NcleavageSystem = int([1, 1, 1],pInt) !< # of cleavage systems per family for ortho LATTICE_ort_NcleavageSystem = int([1, 1, 1],pInt) !< # of cleavage systems per family for ortho
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_ortho_Ncleavage = sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho LATTICE_ort_Ncleavage = sum(lattice_ort_NcleavageSystem) !< total # of cleavage systems for ortho
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: & real(pReal), dimension(3+3,LATTICE_ort_Ncleavage), parameter, private :: &
LATTICE_ortho_systemCleavage = reshape(real([& LATTICE_ort_systemCleavage = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, & 0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 & 1, 0, 0, 0, 0, 1 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage]) ],pReal),[ 3_pInt + 3_pInt,LATTICE_ort_Ncleavage])
! BEGIN DEPRECATED ! BEGIN DEPRECATED
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
@ -796,7 +796,7 @@ module lattice
LATTICE_maxNtrans = LATTICE_fcc_Ntrans, & !< max # of transformation systems over lattice structures LATTICE_maxNtrans = LATTICE_fcc_Ntrans, & !< max # of transformation systems over lattice structures
LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, & LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
LATTICE_hex_Ncleavage, & LATTICE_hex_Ncleavage, &
LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage), & !< max # of cleavage systems over lattice structures LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage), & !< max # of cleavage systems over lattice structures
LATTICE_maxNinteraction = 182_pInt LATTICE_maxNinteraction = 182_pInt
!END DEPRECATED !END DEPRECATED
@ -1192,7 +1192,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
cd, cn, ct cd, cn, ct
integer(pInt) :: & integer(pInt) :: &
i,j, & i,j, &
myNslip = 0_pInt, myNtrans = 0_pInt, myNcleavage = 0_pInt myNslip, myNtrans, myNcleavage
real(pReal) :: c11bar, c12bar, c13bar, c14bar, c33bar, c44bar, A, B real(pReal) :: c11bar, c12bar, c13bar, c14bar, c33bar, c44bar, A, B
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),& lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
@ -1270,23 +1270,28 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_hydrogenfluxDiffusion33(1:3,1:3,myPhase)) 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) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_hydrogenfluxMobility33 (1:3,1:3,myPhase)) lattice_hydrogenfluxMobility33 (1:3,1:3,myPhase))
myNslip = 0_pInt
myNtrans = 0_pInt
myNcleavage = 0_pInt
select case(lattice_structure(myPhase)) select case(lattice_structure(myPhase))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! fcc ! fcc
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
myNslip = LATTICE_FCC_NSLIP myNslip = LATTICE_FCC_NSLIP
myNtrans = lattice_fcc_Ntrans myNtrans = lattice_fcc_Ntrans
myNcleavage = lattice_fcc_Ncleavage myNcleavage = lattice_fcc_Ncleavage
do i = 1_pInt,myNslip ! assign slip system vectors lattice_NslipSystem (1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_fcc_interactionSlipSlip
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavageSystem,'fcc',covera)
do i = 1_pInt,myNslip
sd(1:3,i) = lattice_fcc_systemSlip(1:3,i) sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_fcc_systemSlip(4:6,i) sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
enddo enddo
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
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
! Phase transformation ! Phase transformation
select case(trans_lattice_structure(myPhase)) select case(trans_lattice_structure(myPhase))
@ -1333,16 +1338,20 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
Str = 0.0_pReal Str = 0.0_pReal
end select end select
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_fcc_interactionSlipSlip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! bcc ! bcc
case (LATTICE_bcc_ID) case (LATTICE_bcc_ID)
myNslip = LATTICE_BCC_NSLIP myNslip = LATTICE_BCC_NSLIP
myNtrans = 0_pInt
myNcleavage = lattice_bcc_Ncleavage myNcleavage = lattice_bcc_Ncleavage
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera)
do i = 1_pInt,myNslip ! assign slip system vectors do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:3,i) = lattice_bcc_systemSlip(1:3,i) sd(1:3,i) = lattice_bcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_bcc_systemSlip(4:6,i) sn(1:3,i) = lattice_bcc_systemSlip(4:6,i)
@ -1365,22 +1374,19 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
sns(1:3,1:3,1,6,i) = math_tensorproduct33(sdU, sdU) sns(1:3,1:3,1,6,i) = math_tensorproduct33(sdU, sdU)
sns(1:3,1:3,2,6,i) = math_tensorproduct33(-sdU, -sdU) sns(1:3,1:3,2,6,i) = math_tensorproduct33(-sdU, -sdU)
enddo enddo
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
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
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices) ! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
case (LATTICE_hex_ID) case (LATTICE_hex_ID)
myNslip = lattice_hex_Nslip myNslip = lattice_hex_Nslip
myNtrans = 0_pInt
myNcleavage = lattice_hex_Ncleavage myNcleavage = lattice_hex_Ncleavage
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_hex_interactionSlipSlip
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavagesystem,'hex',covera)
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(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))*& sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*&
@ -1390,28 +1396,14 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal) 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 sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
enddo enddo
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)
cd(3,i) = lattice_hex_systemCleavage(4,i)*CoverA
cd(1:3,1) = cd(1:3,i)/norm2(cd(1:3,i))
cn(1,i) = lattice_hex_systemCleavage(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
cn(2,i) = (lattice_hex_systemCleavage(5,i)+2.0_pReal*lattice_hex_systemCleavage(6,i))/sqrt(3.0_pReal)
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
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_hex_interactionSlipSlip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! bct ! bct
case (LATTICE_bct_ID) case (LATTICE_bct_ID)
myNtrans = 0_pInt
myNslip = lattice_bct_Nslip myNslip = lattice_bct_Nslip
myNcleavage = 0_pInt lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bct_NslipSystem
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bct_interactionSlipSlip
do i = 1_pInt,myNslip ! assign slip system vectors do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:2,i) = lattice_bct_systemSlip(1:2,i) sd(1:2,i) = lattice_bct_systemSlip(1:2,i)
sd(3,i) = lattice_bct_systemSlip(3,i)*CoverA sd(3,i) = lattice_bct_systemSlip(3,i)*CoverA
@ -1420,35 +1412,25 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
sdU = sd(1:3,i) / norm2(sd(1:3,i)) sdU = sd(1:3,i) / norm2(sd(1:3,i))
snU = sn(1:3,i) / norm2(sn(1:3,i)) snU = sn(1:3,i) / norm2(sn(1:3,i))
enddo enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bct_NslipSystem
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bct_interactionSlipSlip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! orthorhombic (no crystal plasticity) ! orthorhombic (no crystal plasticity)
case (LATTICE_ort_ID) case (LATTICE_ort_ID)
myNslip = 0_pInt myNcleavage = lattice_ort_Ncleavage
myNtrans = 0_pInt lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_ort_NcleavageSystem
myNcleavage = lattice_ortho_Ncleavage
do i = 1_pInt, myNcleavage ! assign cleavage system vectors lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
cd(1:3,i) = lattice_iso_systemCleavage(1:3,i)/norm2(LATTICE_ortho_systemCleavage(1:3,i)) lattice_SchmidMatrix_cleavage(lattice_ort_NcleavageSystem,'ort',covera)
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
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_iso_NcleavageSystem
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! isotropic (no crystal plasticity) ! isotropic (no crystal plasticity)
case (LATTICE_iso_ID) case (LATTICE_iso_ID)
myNslip = 0_pInt
myNtrans = 0_pInt
myNcleavage = lattice_iso_Ncleavage myNcleavage = lattice_iso_Ncleavage
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
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
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_iso_NcleavageSystem lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_iso_NcleavageSystem
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_iso_NcleavageSystem,'iso',covera)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! something went wrong ! something went wrong
case default case default
@ -1479,10 +1461,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_Strans(1:3,1:3,i,myPhase) = Str(1:3,1:3,i) lattice_Strans(1:3,1:3,i,myPhase) = Str(1:3,1:3,i)
lattice_shearTrans(i,myPhase) = trs(i) lattice_shearTrans(i,myPhase) = trs(i)
enddo enddo
do i = 1_pInt,myNcleavage ! store slip system vectors and Schmid matrix for my structure do i = 1_pInt,myNcleavage ! store slip system vectors and Schmid matrix for my structure
lattice_Scleavage(1:3,1:3,1,i,myPhase) = math_tensorproduct33(cd(1:3,i),cn(1:3,i))
lattice_Scleavage(1:3,1:3,2,i,myPhase) = math_tensorproduct33(ct(1:3,i),cn(1:3,i))
lattice_Scleavage(1:3,1:3,3,i,myPhase) = math_tensorproduct33(cn(1:3,i),cn(1:3,i))
do j = 1_pInt,3_pInt do j = 1_pInt,3_pInt
lattice_Scleavage_v(1:6,j,i,myPhase) = & lattice_Scleavage_v(1:6,j,i,myPhase) = &
math_Mandel33to6(math_symmetric33(lattice_Scleavage(1:3,1:3,j,i,myPhase))) math_Mandel33to6(math_symmetric33(lattice_Scleavage(1:3,1:3,j,i,myPhase)))
@ -2606,8 +2586,8 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid
NcleavageMax = LATTICE_ISO_NCLEAVAGESYSTEM NcleavageMax = LATTICE_ISO_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_ISO_SYSTEMCLEAVAGE cleavageSystems = LATTICE_ISO_SYSTEMCLEAVAGE
case('ort') case('ort')
NcleavageMax = LATTICE_ORTHO_NCLEAVAGESYSTEM NcleavageMax = LATTICE_ORT_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_ORTHO_SYSTEMCLEAVAGE cleavageSystems = LATTICE_ORT_SYSTEMCLEAVAGE
case('fcc') case('fcc')
NcleavageMax = LATTICE_FCC_NCLEAVAGESYSTEM NcleavageMax = LATTICE_FCC_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_FCC_SYSTEMCLEAVAGE cleavageSystems = LATTICE_FCC_SYSTEMCLEAVAGE