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polishing/sorting

This commit is contained in:
Martin Diehl 2018-12-11 00:39:50 +01:00
parent cee905443b
commit 2fac481a26
2 changed files with 242 additions and 135 deletions
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372
src/lattice.f90
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@ -136,8 +136,6 @@ module lattice
-1, 1, 2, -1, 1,-1 &
],pReal),shape(LATTICE_FCCTOHEX_SYSTEMTRANS))
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
integer(pInt), dimension(2_pInt,LATTICE_FCC_NTWIN), parameter, public :: &
LATTICE_FCC_TWINNUCLEATIONSLIPPAIR = reshape(int( [&
@ -195,7 +193,7 @@ module lattice
integer(pInt), dimension(LATTICE_FCC_NSLIP,LATTICE_fcc_Ntrans), parameter, public :: &
LATTICE_FCCTOHEX_INTERACTIONSLIPTRANS = reshape(int( [&
LATTICE_FCC_INTERACTIONSLIPTRANS = reshape(int( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> trans
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
@ -215,26 +213,10 @@ module lattice
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4 &
],pInt),shape(LATTICE_FCCTOHEX_INTERACTIONSLIPTRANS),order=[2,1]) !< Slip--trans interaction types for fcc
],pInt),shape(LATTICE_FCC_INTERACTIONSLIPTRANS),order=[2,1]) !< Slip--trans interaction types for fcc
integer(pInt), dimension(LATTICE_fcc_Ntrans,LATTICE_FCC_NSLIP), parameter, public :: &
LATTICE_fccTohex_interactionTransSlip = 1_pInt !< Trans--Slip interaction types for fcc
integer(pInt), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans), parameter,public :: &
LATTICE_fccTohex_interactionTransTrans = reshape(int( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> trans
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
2,2,2,1,1,1,2,2,2,2,2,2, & ! v trans
2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1 &
],pInt),shape(LATTICE_FCCTOHEX_INTERACTIONTRANSTRANS),order=[2,1]) !< Trans--trans interaction types for fcc
LATTICE_FCC_interactionTransSlip = 1_pInt !< Trans--Slip interaction types for fcc
real(pReal), dimension(LATTICE_fcc_Ntrans), parameter, private :: &
LATTICE_fccTohex_shearTrans = sqrt(1.0_pReal/8.0_pReal)
@ -434,8 +416,7 @@ module lattice
character(len=*), dimension(1), parameter, public :: LATTICE_BCC_TWINFAMILY_NAME = &
['<1 1 1>{2 1 1}']
real(pReal), dimension(LATTICE_BCC_NTWIN), parameter, private :: &
LATTICE_bcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal)
integer(pInt), dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter, public :: &
LATTICE_bcc_interactionSlipSlip = reshape(int( [&
@ -592,33 +573,6 @@ module lattice
'<1 0 . -2>{1 0 . 1} ', &
'<1 1 . -3>{1 1 . 2} ']
integer(pInt), dimension(LATTICE_hex_Ntwin), parameter, private :: &
LATTICE_hex_shearTwin = reshape(int( [& ! indicator to formula further below
1, & ! <-10.1>{10.2}
1, &
1, &
1, &
1, &
1, &
2, & ! <11.6>{-1-1.1}
2, &
2, &
2, &
2, &
2, &
3, & ! <10.-2>{10.1}
3, &
3, &
3, &
3, &
3, &
4, & ! <11.-3>{11.2}
4, &
4, &
4, &
4, &
4 &
],pInt),[LATTICE_hex_Ntwin])
integer(pInt), dimension(LATTICE_hex_Nslip,LATTICE_hex_Nslip), parameter, public :: &
LATTICE_hex_interactionSlipSlip = reshape(int( [&
@ -889,10 +843,10 @@ module lattice
lattice_C3333, lattice_trans_C3333
real(pReal), dimension(:), allocatable, public, protected :: &
lattice_mu, lattice_nu
real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & ! with higher-order parameters (e.g. temperature-dependent)
lattice_thermalExpansion33
! SHOULD NOT BE PART OF LATTICE BEGIN
real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & ! with higher-order parameters (e.g. temperature-dependent)
lattice_thermalExpansion33
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_thermalConductivity33, &
lattice_damageDiffusion33, &
@ -916,6 +870,7 @@ module lattice
lattice_equilibriumVacancyConcentration, &
lattice_equilibriumHydrogenConcentration
! SHOULD NOT BE PART OF LATTICE END
enum, bind(c)
enumerator :: LATTICE_undefined_ID, &
LATTICE_iso_ID, &
@ -929,7 +884,6 @@ module lattice
lattice_structure, trans_lattice_structure
public :: &
lattice_init, &
lattice_qDisorientation, &
@ -942,9 +896,11 @@ module lattice
lattice_nonSchmidMatrix, &
lattice_interaction_SlipSlip, &
lattice_interaction_TwinTwin, &
lattice_interaction_SlipTwin, &
lattice_interaction_TwinSlip, &
lattice_interaction_TransTrans, &
lattice_interaction_SlipTwin, &
lattice_interaction_SlipTrans, &
lattice_interaction_TwinSlip, &
lattice_interaction_TransSlip, &
lattice_characteristicShear_Twin, &
lattice_C66_twin
@ -1149,6 +1105,84 @@ subroutine lattice_init
end subroutine lattice_init
!--------------------------------------------------------------------------------------------------
!> @brief xxx
!--------------------------------------------------------------------------------------------------
subroutine lattice_Trans(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
use math, only: &
math_crossproduct, &
math_tensorproduct33, &
math_mul33x33, &
math_mul33x3, &
math_axisAngleToR, &
INRAD, &
MATH_I3
use IO, only: &
IO_error
implicit none
integer(pInt), dimension(:), intent(in) :: &
Ntrans
real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: &
S, Q
real(pReal), intent(in), optional :: &
cOverA, &
a_fcc, &
a_bcc
real(pReal), dimension(3,3) :: &
R, &
U, & ! Bain deformation
B, &
ss, sd
real(pReal), dimension(3) :: &
x, y, z
integer(pInt) :: &
i
if (size(Ntrans) < 1_pInt .or. size(Ntrans) > 1_pInt) print*, 'mist'
if (present(a_fcc) .and. present(a_bcc)) then ! fcc -> bcc transformation
if ( a_fcc <= 0.0_pReal .or. a_bcc <= 0.0_pReal) print*, 'mist'
do i = 1_pInt,sum(Ntrans)
R = math_axisAngleToR(lattice_fccTobcc_systemTrans(1:3,i), & ! Pitsch rotation
lattice_fccTobcc_systemTrans(4,i)*INRAD)
B = math_axisAngleToR(lattice_fccTobcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system
lattice_fccTobcc_bainRot(4,i)*INRAD)
x = real(LATTICE_fccTobcc_bainVariant(1:3,i),pReal)
y = real(LATTICE_fccTobcc_bainVariant(4:6,i),pReal)
z = real(LATTICE_fccTobcc_bainVariant(7:9,i),pReal)
U = (a_bcc/a_fcc)*math_tensorproduct33(x,x) &
+ (a_bcc/a_fcc)*math_tensorproduct33(y,y) * sqrt(2.0_pReal) &
+ (a_bcc/a_fcc)*math_tensorproduct33(z,z) * sqrt(2.0_pReal)
Q(1:3,1:3,i) = math_mul33x33(R,B)
S(1:3,1:3,i) = math_mul33x33(R,U) - MATH_I3
enddo
elseif (present(cOverA)) then
ss = MATH_I3
sd = MATH_I3
ss(1,3) = sqrt(2.0_pReal)/4.0_pReal
if (cOverA > 1.0_pReal .and. cOverA < 2.0_pReal) &
sd(3,3) = cOverA/sqrt(8.0_pReal/3.0_pReal)
do i = 1_pInt,sum(Ntrans)
x = lattice_fccTohex_systemTrans(1:3,i)/norm2(lattice_fccTohex_systemTrans(1:3,i))
z = lattice_fccTohex_systemTrans(4:6,i)/norm2(lattice_fccTohex_systemTrans(4:6,i))
y = -math_crossproduct(x,z)
Q(1:3,1,i) = x
Q(1:3,2,i) = y
Q(1:3,3,i) = z
S(1:3,1:3,i) = math_mul33x33(Q(1:3,1:3,i), math_mul33x33(math_mul33x33(sd,ss), transpose(Q(1:3,1:3,i)))) - MATH_I3
enddo
endif
end subroutine lattice_Trans
!--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc.
!--------------------------------------------------------------------------------------------------
@ -1160,7 +1194,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
math_tensorproduct33, &
math_mul33x33, &
math_mul33x3, &
math_transpose33, &
math_trace33, &
math_symmetric33, &
math_Mandel33to6, &
@ -1332,7 +1365,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
Rtr(1:3,2,i) = ytr(1:3,i)
Rtr(1:3,3,i) = ztr(1:3,i)
Qtr(1:3,1:3,i) = Rtr(1:3,1:3,i)
Str(1:3,1:3,i) = math_mul33x33(Rtr(1:3,1:3,i), math_mul33x33(sttr, math_transpose33(Rtr(1:3,1:3,i))))
Str(1:3,1:3,i) = math_mul33x33(Rtr(1:3,1:3,i), math_mul33x33(sttr, transpose(Rtr(1:3,1:3,i))))
Str(1:3,1:3,i) = Str(1:3,1:3,i) - MATH_I3
trs(i) = lattice_fccTohex_shearTrans(i)
enddo
@ -1344,8 +1377,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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_interactionSlipTrans(1:myNslip,1:myNtrans,myPhase) = lattice_fccTohex_interactionSlipTrans
lattice_interactionTransSlip(1:myNtrans,1:myNslip,myPhase) = lattice_fccTohex_interactionTransSlip
lattice_interactionSlipTrans(1:myNslip,1:myNtrans,myPhase) = lattice_fcc_interactionSlipTrans
lattice_interactionTransSlip(1:myNtrans,1:myNslip,myPhase) = lattice_fcc_interactionTransSlip
!--------------------------------------------------------------------------------------------------
! bcc
@ -1770,22 +1803,55 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
mf, & !< index of my family
ms !< index of my system in current family
real(pReal), dimension(LATTICE_FCC_NTWIN), parameter :: &
FCC_SHEARTWIN = 0.5_pReal*sqrt(2.0_pReal)
real(pReal), dimension(LATTICE_BCC_NTWIN), parameter :: &
BCC_SHEARTWIN = 0.5_pReal*sqrt(2.0_pReal)
integer(pInt), dimension(LATTICE_HEX_NTWIN), parameter :: &
HEX_SHEARTWIN = reshape(int( [&
1, & ! <-10.1>{10.2}
1, &
1, &
1, &
1, &
1, &
2, & ! <11.6>{-1-1.1}
2, &
2, &
2, &
2, &
2, &
3, & ! <10.-2>{10.1}
3, &
3, &
3, &
3, &
3, &
4, & ! <11.-3>{11.2}
4, &
4, &
4, &
4, &
4 &
],pInt),[LATTICE_HEX_NTWIN]) ! indicator to formula further below
ir = 0_pInt
myFamilies: do mf = 1_pInt,size(Ntwin,1)
mySystems: do ms = 1_pInt,Ntwin(mf)
ir = ir + 1_pInt
ig = sum(LATTICE_HEX_NTWINSYSTEM(1:mf-1))+ms
select case(structure)
case('fcc')
ig = sum(LATTICE_FCC_NTWINSYSTEM(1:mf-1))+ms
characteristicShear(ir) = LATTICE_FCC_SHEARTWIN(ig)
characteristicShear(ir) = FCC_SHEARTWIN(ig)
case('bcc')
ig = sum(LATTICE_BCC_NTWINSYSTEM(1:mf-1))+ms
characteristicShear(ir) = LATTICE_BCC_SHEARTWIN(ig)
characteristicShear(ir) = BCC_SHEARTWIN(ig)
case('hex')
if (.not. present(CoverA)) call IO_error(0_pInt)
ig = sum(LATTICE_HEX_NTWINSYSTEM(1:mf-1))+ms
select case(LATTICE_HEX_SHEARTWIN(ig)) ! from Christian & Mahajan 1995 p.29
select case(HEX_SHEARTWIN(ig)) ! from Christian & Mahajan 1995 p.29
case (1_pInt) ! <-10.1>{10.2}
characteristicShear(ir) = (3.0_pReal-cOverA*cOverA)/sqrt(3.0_pReal)/CoverA
case (2_pInt) ! <11.6>{-1-1.1}
@ -1874,8 +1940,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_parent, &
real(pReal), dimension(6,6) :: C_bar66, C_target_unrotated66
real(pReal), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
real(pReal), dimension(3,3) :: R,B,U,Q,S,ss,sd,st
real(pReal), dimension(3) :: x,y,z
real(pReal), dimension(3,3) :: Q,S
real(pReal) :: a_bcc, a_fcc, CoverA_trans
integer(pInt) :: i
@ -1909,47 +1974,6 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_parent, &
call IO_error(135_pInt,el=i,ext_msg='matrix diagonal "el"ement in transformation')
enddo
if (trim(structure_parent) == 'fcc' .and. trim(structure_target) == 'hex') then
do i = 1_pInt,sum(Ntrans)!!!!!!!!!!!!!! ToDo: NEED TO BE FIXED
R = math_axisAngleToR(lattice_fccTobcc_systemTrans(1:3,i), & ! Pitsch rotation
lattice_fccTobcc_systemTrans(4,i)*INRAD)
B = math_axisAngleToR(lattice_fccTobcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system
lattice_fccTobcc_bainRot(4,i)*INRAD)
x = real(LATTICE_fccTobcc_bainVariant(1:3,i),pReal)
y = real(LATTICE_fccTobcc_bainVariant(4:6,i),pReal)
z = real(LATTICE_fccTobcc_bainVariant(7:9,i),pReal)
BainDeformation: if ((a_fcc > 0.0_pReal) .and. (a_bcc > 0.0_pReal)) then
U = (a_bcc/a_fcc)*math_tensorproduct33(x,x) + &
(a_bcc/a_fcc)*math_tensorproduct33(y,y) * sqrt(2.0_pReal) + &
(a_bcc/a_fcc)*math_tensorproduct33(z,z) * sqrt(2.0_pReal)
else BainDeformation
U = 0.0_pReal
endif BainDeformation
Q = math_mul33x33(R,B)
S = math_mul33x33(R,U) - MATH_I3
enddo
elseif (trim(structure_target) == 'bcc') then
ss = MATH_I3
ss(1,3) = sqrt(0.125_pReal)
sd = MATH_I3
if (CoverA_trans > 1.0_pReal .and. CoverA_trans < 2.0_pReal) then
sd(3,3) = CoverA_trans/sqrt(8.0_pReal/3.0_pReal)
endif
st = math_mul33x33(sd,ss)
do i = 1_pInt,sum(Ntrans)!!!!!!!!!!!!!! NEED TO BE FIXED
R(1:3,1) = lattice_fccTohex_systemTrans(1:3,i)/norm2(lattice_fccTohex_systemTrans(1:3,i))
R(1:3,3) = lattice_fccTohex_systemTrans(4:6,i)/norm2(lattice_fccTohex_systemTrans(4:6,i))
R(1:3,2) = -math_crossproduct(R(1:3,1),R(1:3,3))
Q = R
S = math_mul33x33(R, math_mul33x33(st, transpose(R))) - MATH_I3
! trs(i) = lattice_fccTohex_shearTrans(i)
enddo
else
write(6,*) "Mist"
endif
do i = 1, sum(Ntrans)
! R = math_axisAngleToR(coordinateSystem(1:3,2,i), 180.0_pReal * INRAD) ! ToDo: Why always 180 deg?
! lattice_C66_trans(1:6,1:6,i) = math_Mandel3333to66(math_rotate_forward3333(math_Mandel66to3333(C66),R))
@ -2157,6 +2181,53 @@ function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(
end function lattice_interaction_TwinTwin
!--------------------------------------------------------------------------------------------------
!> @brief Populates trans-trans interaction matrix
!> details: only active transformation systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_TransTrans(Ntrans,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
implicit none
integer(pInt), dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< interaction values twin-twin
character(len=*), intent(in) :: &
structure !< lattice structure of parent crystal
real(pReal), dimension(sum(Ntrans),sum(Ntrans)) :: interactionMatrix
integer(pInt), dimension(:), allocatable :: NtransMax
integer(pInt), dimension(:,:), allocatable :: interactionTypes
integer(pInt), dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: &
FCC_INTERACTIONTRANSTRANS = reshape(int( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> trans
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
2,2,2,1,1,1,2,2,2,2,2,2, & ! v trans
2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1 &
],pInt),shape(FCC_INTERACTIONTRANSTRANS),order=[2,1]) !< Trans--trans interaction types for fcc
if (trim(structure) == 'fcc') then
interactionTypes = FCC_INTERACTIONTRANSTRANS
NtransMax = LATTICE_FCC_NTRANSSYSTEM
else
call IO_error(132_pInt,ext_msg=trim(structure)//' (trans trans interaction)')
end if
!if (size(interactionValues) > maxval(interactionTypes)) &
! call IO_error(0_pInt) ! ToDo
interactionMatrix = buildInteraction(Ntrans,Ntrans,NtransMax,NtransMax,interactionValues,interactionTypes)
end function lattice_interaction_TransTrans
!--------------------------------------------------------------------------------------------------
!> @brief Populates slip-twin interaction matrix
!> details: only active slip and twin systems are considered
@ -2166,14 +2237,14 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
IO_error
implicit none
integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
integer(pInt), dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
integer(pInt), dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< interaction values twin-twin
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
integer(pInt), dimension(:), allocatable :: NslipMax
integer(pInt), dimension(:), allocatable :: NtwinMax
integer(pInt), dimension(:), allocatable :: NslipMax, &
NtwinMax
integer(pInt), dimension(:,:), allocatable :: interactionTypes
integer(pInt), dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: &
@ -2301,6 +2372,42 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
end function lattice_interaction_SlipTwin
!--------------------------------------------------------------------------------------------------
!> @brief Populates trans-trans interaction matrix
!> details: only active transformation systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipTrans(Nslip,Ntrans,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
implicit none
integer(pInt), dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< interaction values slip--trans
character(len=*), intent(in) :: &
structure !< lattice structure of parent crystal
real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
integer(pInt), dimension(:), allocatable :: NslipMax, &
NtransMax
integer(pInt), dimension(:,:), allocatable :: interactionTypes
select case(structure)
case('fcc')
interactionTypes = LATTICE_FCC_INTERACTIONSLIPTRANS
NslipMax = LATTICE_FCC_NSLIPSYSTEM
NtransMax = LATTICE_FCC_NTRANSSYSTEM
case default
call IO_error(132_pInt,ext_msg=trim(structure)//' (twin slip interaction)')
end select
!if (size(interactionValues) > maxval(interactionTypes)) &
! call IO_error(0_pInt) ! ToDo
interactionMatrix = buildInteraction(Nslip,Ntrans,NslipMax,NtransMax,interactionValues,interactionTypes)
end function lattice_interaction_SlipTrans
!--------------------------------------------------------------------------------------------------
!> @brief Populates twin-slip interaction matrix
!> details: only active twin and slip systems are considered
@ -2310,14 +2417,14 @@ function lattice_interaction_TwinSlip(Ntwin,Nslip,interactionValues,structure) r
IO_error
implicit none
integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
integer(pInt), dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
integer(pInt), dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< interaction values twin-twin
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
integer(pInt), dimension(:), allocatable :: NslipMax
integer(pInt), dimension(:), allocatable :: NtwinMax
integer(pInt), dimension(:), allocatable :: NtwinMax, &
NslipMax
integer(pInt), dimension(:,:), allocatable :: interactionTypes
integer(pInt), dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: &
@ -2326,7 +2433,7 @@ function lattice_interaction_TwinSlip(Ntwin,Nslip,interactionValues,structure) r
integer(pInt), dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONTWINSLIP = 1_pInt !< Twin--slip interaction types for bcc
integer(pInt), dimension(LATTICE_hex_Ntwin,LATTICE_hex_Nslip), parameter :: &
integer(pInt), dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: &
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, & ! |
@ -2386,35 +2493,36 @@ end function lattice_interaction_TwinSlip
!> @brief Populates trans-trans interaction matrix
!> details: only active transformation systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_TransTrans(Ntrans,interactionValues,structure,targetStructure) result(interactionMatrix)
function lattice_interaction_TransSlip(Ntrans,Nslip,interactionValues,structure) result(interactionMatrix)
use IO, only: &
IO_error
implicit none
integer(pInt), dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< interaction values twin-twin
integer(pInt), dimension(:), intent(in) :: Ntrans, & !< number of active trans systems per family
Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< interaction values trans-trans
character(len=*), intent(in) :: &
structure, & !< lattice structure of parent crystal
targetStructure !< lattice structure of transformed crystal
real(pReal), dimension(sum(Ntrans),sum(Ntrans)) :: interactionMatrix
structure !< lattice structure of parent crystal
real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
integer(pInt), dimension(:), allocatable :: NtransMax
integer(pInt), dimension(:), allocatable :: NtransMax, &
NslipMax
integer(pInt), dimension(:,:), allocatable :: interactionTypes
if (trim(structure) == 'fcc' .and. trim(targetStructure) == 'hex') then
interactionTypes = lattice_fccToHex_interactionTransTrans
select case(structure)
case('fcc')
interactionTypes = LATTICE_FCC_INTERACTIONTRANSSLIP
NslipMax = LATTICE_FCC_NSLIPSYSTEM
NtransMax = LATTICE_FCC_NTRANSSYSTEM
elseif (trim(structure) == 'fcc' .and. trim(targetStructure) == 'bcc') then
interactionTypes = lattice_fccToHex_interactionTransTrans ! ToDo: The definition for bcc does not exist yet
NtransMax = LATTICE_FCC_NTRANSSYSTEM
else
call IO_error(132_pInt,ext_msg=trim(structure)//' => '//trim(targetStructure))
end if
case default
call IO_error(132_pInt,ext_msg=trim(structure)//' (twin slip interaction)')
end select
!if (size(interactionValues) > maxval(interactionTypes)) &
! call IO_error(0_pInt) ! ToDo
interactionMatrix = buildInteraction(Ntrans,Ntrans,NtransMax,NtransMax,interactionValues,interactionTypes)
end function lattice_interaction_TransTrans
interactionMatrix = buildInteraction(Ntrans,Nslip,NtransMax,NslipMax,interactionValues,interactionTypes)
end function lattice_interaction_TransSlip
!--------------------------------------------------------------------------------------------------

3
src/plastic_dislotwin.f90
View File

@ -416,8 +416,7 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%interaction_TransTrans = lattice_interaction_TransTrans(prm%Ntrans,&
config_phase(p)%getFloats('interaction_transtrans'), &
structure(1:3),&
trim(config_phase(p)%getString('trans_lattice_structure')))
structure(1:3))
if (lattice_structure(p) /= LATTICE_fcc_ID) then
prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans')
prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans)