223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Cleaning up

This commit is contained in:
Su Leen Wong 2015-06-22 08:10:20 +00:00
parent 2d8af638b0
commit 5114e0b43e
1 changed files with 19 additions and 15 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

34
code/lattice.f90
View File

@ -89,13 +89,13 @@ module lattice
LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< total # of transformation systems per family for fcc
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< total # of cleavage systems per family for fcc
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< total # of cleavage systems per family for fcc
integer(pInt), parameter, private :: &
LATTICE_fcc_Nslip = 12_pInt, & ! sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
LATTICE_fcc_Ntwin = 12_pInt, & ! sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc
LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
LATTICE_fcc_Ntrans = 12_pInt, & !< total # of transformations for fcc
LATTICE_fcc_Ntrans = 12_pInt, & !< total # of transformations for fcc
LATTICE_fcc_Ncleavage = 7_pInt !< total # of cleavage systems for fcc
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
@ -1333,7 +1333,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
use prec, only: &
tol_math_check
use math, only: &
math_identity2nd, &
math_vectorproduct, &
math_tensorproduct, &
math_norm3, &
@ -1345,7 +1344,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
math_Mandel3333to66, &
math_Voigt66to3333, &
math_axisAngleToR, &
INRAD
INRAD, &
MATH_I3
use IO, only: &
IO_error, &
IO_warning
@ -1370,9 +1370,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
real(pReal), dimension(lattice_maxNtwin) :: &
ts
real(pReal), dimension(3,lattice_maxNtrans) :: &
xb, yb, zb
xtr, ytr, ztr
real(pReal), dimension(3,3,lattice_maxNtrans) :: &
Rtr, Utr, Btr
Rtr, Utr, Btr, Qtr, Str
real(pReal), dimension(3,lattice_maxNcleavage) :: &
cd, cn, ct
integer(pInt) :: &
@ -1444,17 +1444,21 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_fcc_systemTrans(4,i)*INRAD)
Btr(1:3,1:3,i) = math_axisAngleToR(lattice_fcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system
lattice_fcc_bainRot(4,i)*INRAD)
xb(1:3,i) = real(LATTICE_fcc_bainVariant(1:3,i),pReal)
yb(1:3,i) = real(LATTICE_fcc_bainVariant(4:6,i),pReal)
zb(1:3,i) = real(LATTICE_fcc_bainVariant(7:9,i),pReal)
xtr(1:3,i) = real(LATTICE_fcc_bainVariant(1:3,i),pReal)
ytr(1:3,i) = real(LATTICE_fcc_bainVariant(4:6,i),pReal)
ztr(1:3,i) = real(LATTICE_fcc_bainVariant(7:9,i),pReal)
Utr(1:3,1:3,i) = 0.0_pReal ! Bain deformation
if ((a_fcc > 0.0_pReal) .and. (a_bcc > 0.0_pReal)) then
Utr(1:3,1:3,i) = (a_bcc/a_fcc)*math_tensorproduct(xb(1:3,i), xb(1:3,i)) + &
sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(yb(1:3,i), yb(1:3,i)) + &
sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(zb(1:3,i), zb(1:3,i))
Utr(1:3,1:3,i) = (a_bcc/a_fcc)*math_tensorproduct(xtr(1:3,i), xtr(1:3,i)) + &
sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(ytr(1:3,i), ytr(1:3,i)) + &
sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(ztr(1:3,i), ztr(1:3,i))
endif
Qtr(1:3,1:3,i) = math_mul33x33(Rtr(1:3,1:3,i), Btr(1:3,1:3,i))
Str(1:3,1:3,i) = math_mul33x33(Rtr(1:3,1:3,i), Utr(1:3,1:3,i)) - MATH_I3
enddo
case default
Qtr = 0.0_pReal
Str = 0.0_pReal
end select
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
@ -1641,8 +1645,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
call IO_error(301_pInt,myPhase,ext_msg = 'dilatational twin Schmid matrix')
enddo
do i = 1_pInt,myNtrans
lattice_Qtrans(1:3,1:3,i,myPhase) = math_mul33x33(Rtr(1:3,1:3,i), Btr(1:3,1:3,i))
lattice_Strans(1:3,1:3,i,myPhase) = math_mul33x33(Rtr(1:3,1:3,i), Utr(1:3,1:3,i)) - math_identity2nd(3)
lattice_Qtrans(1:3,1:3,i,myPhase) = Qtr(1:3,1:3,i)
lattice_Strans(1:3,1:3,i,myPhase) = Str(1:3,1:3,i)
lattice_Strans_v(1:6,i,myPhase) = math_Mandel33to6(math_symmetric33(lattice_Strans(1:3,1:3,i,myPhase)))
enddo
do i = 1_pInt,myNcleavage ! store slip system vectors and Schmid matrix for my structure