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DAMASK_EICMD
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Added keyword to specify transformed lattice structure

This commit is contained in:
Su Leen Wong 2015-06-11 08:23:27 +00:00
parent 140638b911
commit b3241411f5
2 changed files with 38 additions and 17 deletions
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4
code/IO.f90
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@ -1546,6 +1546,10 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
msg = 'unknown lattice structure encountered'
case (131_pInt)
msg = 'hex lattice structure with invalid c/a ratio'
case (132_pInt)
msg = 'trans_lattice_structure not possible'
case (133_pInt)
msg = 'transformed hex lattice structure with invalid c/a ratio'
case (135_pInt)
msg = 'zero entry on stiffness diagonal'

51
code/lattice.f90
View File

@ -853,7 +853,7 @@ module lattice
LATTICE_ort_ID
end enum
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
lattice_structure
lattice_structure, trans_lattice_structure
integer(pInt), dimension(2), parameter, private :: &
@ -1101,6 +1101,7 @@ subroutine lattice_init
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)
allocate(lattice_C3333(3,3,3,3,Nphases), source=0.0_pReal)
allocate(lattice_thermalConductivity33 (3,3,Nphases), source=0.0_pReal)
@ -1196,6 +1197,15 @@ subroutine lattice_init
case default
call IO_error(130_pInt,ext_msg=trim(IO_lc(IO_stringValue(line,positions,2_pInt))))
end select
case('trans_lattice_structure')
select case(trim(IO_lc(IO_stringValue(line,positions,2_pInt))))
case('bcc')
trans_lattice_structure(section) = LATTICE_bcc_ID
case('hex','hexagonal','hcp')
trans_lattice_structure(section) = LATTICE_hex_ID
case default
call IO_error(132_pInt,ext_msg=trim(IO_lc(IO_stringValue(line,positions,2_pInt))))
end select
case ('c11')
lattice_C66(1,1,section) = IO_floatValue(line,positions,2_pInt)
case ('c12')
@ -1402,28 +1412,35 @@ subroutine lattice_initializeStructure(myPhase,CoverA,a_fcc,a_bcc)
tn(1:3,i) = lattice_fcc_systemTwin(4:6,i)
ts(i) = lattice_fcc_shearTwin(i)
enddo
do i = 1_pInt,myNtrans
Rtr(1:3,1:3,i) = math_axisAngleToR(lattice_fcc_systemTrans(1:3,i), & ! Pitsch rotation (fcc to bcc transformation)
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)
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))
endif
enddo
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
cd(1:3,i) = lattice_fcc_systemCleavage(1:3,i)/math_norm3(lattice_fcc_systemCleavage(1:3,i))
cn(1:3,i) = lattice_fcc_systemCleavage(4:6,i)/math_norm3(lattice_fcc_systemCleavage(4:6,i))
ct(1:3,i) = math_vectorproduct(cd(1:3,i),cn(1:3,i))
enddo
! Phase transformation
select case(trans_lattice_structure(myPhase))
case (LATTICE_bcc_ID) ! fcc to bcc transformation
do i = 1_pInt,myNtrans
Rtr(1:3,1:3,i) = math_axisAngleToR(lattice_fcc_systemTrans(1:3,i), & ! Pitsch rotation
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)
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))
endif
enddo
case default
call IO_error(132_pInt,ext_msg='lattice_initializeStructure')
end select
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_fcc_NtwinSystem
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_fcc_NtransSystem