Merge branch 'update-crystal-structure-name' into 'development'
Update crystal structure name See merge request damask/DAMASK!529
This commit is contained in:
commit
ca6a3e7869
462
src/lattice.f90
462
src/lattice.f90
|
@ -17,27 +17,28 @@ module lattice
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private
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!--------------------------------------------------------------------------------------------------
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! face centered cubic (cF)
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integer, dimension(*), parameter :: &
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FCC_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for fcc
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! cF: face centered cubic (fcc)
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integer, dimension(*), parameter :: &
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FCC_NTWINSYSTEM = [12] !< # of twin systems per family for fcc
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CF_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for cF
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integer, dimension(*), parameter :: &
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FCC_NTRANSSYSTEM = [12] !< # of transformation systems per family for fcc
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CF_NTWINSYSTEM = [12] !< # of twin systems per family for cF
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integer, dimension(*), parameter :: &
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FCC_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for fcc
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CF_NTRANSSYSTEM = [12] !< # of transformation systems per family for cF
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integer, dimension(*), parameter :: &
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CF_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for cF
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integer, parameter :: &
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FCC_NSLIP = sum(FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc
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FCC_NTWIN = sum(FCC_NTWINSYSTEM), & !< total # of twin systems for fcc
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FCC_NTRANS = sum(FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc
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FCC_NCLEAVAGE = sum(FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc
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CF_NSLIP = sum(CF_NSLIPSYSTEM), & !< total # of slip systems for cF
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CF_NTWIN = sum(CF_NTWINSYSTEM), & !< total # of twin systems for cF
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CF_NTRANS = sum(CF_NTRANSSYSTEM), & !< total # of transformation systems for cF
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CF_NCLEAVAGE = sum(CF_NCLEAVAGESYSTEM) !< total # of cleavage systems for cF
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real(pReal), dimension(3+3,FCC_NSLIP), parameter :: &
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FCC_SYSTEMSLIP = reshape(real([&
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real(pReal), dimension(3+3,CF_NSLIP), parameter :: &
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CF_SYSTEMSLIP = reshape(real([&
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! <110>{111} systems
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0, 1,-1, 1, 1, 1, & ! B2
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-1, 0, 1, 1, 1, 1, & ! B4
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@ -58,10 +59,10 @@ module lattice
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1, 0,-1, 1, 0, 1, &
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0, 1, 1, 0, 1,-1, &
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0, 1,-1, 0, 1, 1 &
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],pReal),shape(FCC_SYSTEMSLIP)) !< fcc slip systems
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],pReal),shape(CF_SYSTEMSLIP)) !< cF slip systems
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real(pReal), dimension(3+3,FCC_NTWIN), parameter :: &
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FCC_SYSTEMTWIN = reshape(real( [&
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real(pReal), dimension(3+3,CF_NTWIN), parameter :: &
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CF_SYSTEMTWIN = reshape(real( [&
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! <112>{111} systems
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-2, 1, 1, 1, 1, 1, &
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1,-2, 1, 1, 1, 1, &
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@ -75,10 +76,10 @@ module lattice
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2, 1,-1, -1, 1,-1, &
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-1,-2,-1, -1, 1,-1, &
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-1, 1, 2, -1, 1,-1 &
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],pReal),shape(FCC_SYSTEMTWIN)) !< fcc twin systems
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],pReal),shape(CF_SYSTEMTWIN)) !< cF twin systems
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integer, dimension(2,FCC_NTWIN), parameter, public :: &
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lattice_FCC_TWINNUCLEATIONSLIPPAIR = reshape( [&
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integer, dimension(2,CF_NTWIN), parameter, public :: &
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lattice_CF_TWINNUCLEATIONSLIPPAIR = reshape( [&
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2,3, &
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1,3, &
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1,2, &
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@ -91,34 +92,35 @@ module lattice
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11,12, &
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10,12, &
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10,11 &
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],shape(lattice_FCC_TWINNUCLEATIONSLIPPAIR))
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],shape(lattice_CF_TWINNUCLEATIONSLIPPAIR))
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real(pReal), dimension(3+3,FCC_NCLEAVAGE), parameter :: &
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FCC_SYSTEMCLEAVAGE = reshape(real([&
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real(pReal), dimension(3+3,CF_NCLEAVAGE), parameter :: &
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CF_SYSTEMCLEAVAGE = reshape(real([&
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! <001>{001} systems
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0, 1, 0, 1, 0, 0, &
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0, 0, 1, 0, 1, 0, &
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1, 0, 0, 0, 0, 1 &
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],pReal),shape(FCC_SYSTEMCLEAVAGE)) !< fcc cleavage systems
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],pReal),shape(CF_SYSTEMCLEAVAGE)) !< cF cleavage systems
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!--------------------------------------------------------------------------------------------------
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! body centered cubic (cI)
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integer, dimension(*), parameter :: &
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BCC_NSLIPSYSTEM = [12, 12, 24] !< # of slip systems per family for bcc
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! cI: body centered cubic (bcc)
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integer, dimension(*), parameter :: &
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BCC_NTWINSYSTEM = [12] !< # of twin systems per family for bcc
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CI_NSLIPSYSTEM = [12, 12, 24] !< # of slip systems per family for cI
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integer, dimension(*), parameter :: &
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BCC_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for bcc
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CI_NTWINSYSTEM = [12] !< # of twin systems per family for cI
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integer, dimension(*), parameter :: &
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CI_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for cI
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integer, parameter :: &
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BCC_NSLIP = sum(BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc
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BCC_NTWIN = sum(BCC_NTWINSYSTEM), & !< total # of twin systems for bcc
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BCC_NCLEAVAGE = sum(BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc
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CI_NSLIP = sum(CI_NSLIPSYSTEM), & !< total # of slip systems for cI
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CI_NTWIN = sum(CI_NTWINSYSTEM), & !< total # of twin systems for cI
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CI_NCLEAVAGE = sum(CI_NCLEAVAGESYSTEM) !< total # of cleavage systems for cI
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real(pReal), dimension(3+3,BCC_NSLIP), parameter :: &
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BCC_SYSTEMSLIP = reshape(real([&
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real(pReal), dimension(3+3,CI_NSLIP), parameter :: &
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CI_SYSTEMSLIP = reshape(real([&
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! <111>{110} systems
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1,-1, 1, 0, 1, 1, & ! D1
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-1,-1, 1, 0, 1, 1, & ! C1
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@ -170,10 +172,10 @@ module lattice
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1, 1, 1, -3, 2, 1, &
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1, 1,-1, 3,-2, 1, &
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1,-1, 1, 3, 2,-1 &
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],pReal),shape(BCC_SYSTEMSLIP)) !< bcc slip systems
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],pReal),shape(CI_SYSTEMSLIP)) !< cI slip systems
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real(pReal), dimension(3+3,BCC_NTWIN), parameter :: &
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BCC_SYSTEMTWIN = reshape(real([&
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real(pReal), dimension(3+3,CI_NTWIN), parameter :: &
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CI_SYSTEMTWIN = reshape(real([&
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! <111>{112} systems
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-1, 1, 1, 2, 1, 1, &
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1, 1, 1, -2, 1, 1, &
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@ -187,30 +189,31 @@ module lattice
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1,-1, 1, -1, 1, 2, &
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-1, 1, 1, 1,-1, 2, &
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1, 1, 1, 1, 1,-2 &
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],pReal),shape(BCC_SYSTEMTWIN)) !< bcc twin systems
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],pReal),shape(CI_SYSTEMTWIN)) !< cI twin systems
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real(pReal), dimension(3+3,BCC_NCLEAVAGE), parameter :: &
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BCC_SYSTEMCLEAVAGE = reshape(real([&
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real(pReal), dimension(3+3,CI_NCLEAVAGE), parameter :: &
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CI_SYSTEMCLEAVAGE = reshape(real([&
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! <001>{001} systems
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0, 1, 0, 1, 0, 0, &
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0, 0, 1, 0, 1, 0, &
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1, 0, 0, 0, 0, 1 &
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],pReal),shape(BCC_SYSTEMCLEAVAGE)) !< bcc cleavage systems
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],pReal),shape(CI_SYSTEMCLEAVAGE)) !< cI cleavage systems
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!--------------------------------------------------------------------------------------------------
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! hexagonal (hP)
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integer, dimension(*), parameter :: &
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HEX_NSLIPSYSTEM = [3, 3, 6, 12, 6] !< # of slip systems per family for hex
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! hP: hexagonal [close packed] (hex, hcp)
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integer, dimension(*), parameter :: &
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HEX_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hex
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HP_NSLIPSYSTEM = [3, 3, 6, 12, 6] !< # of slip systems per family for hP
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integer, dimension(*), parameter :: &
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HP_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hP
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integer, parameter :: &
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HEX_NSLIP = sum(HEX_NSLIPSYSTEM), & !< total # of slip systems for hex
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HEX_NTWIN = sum(HEX_NTWINSYSTEM) !< total # of twin systems for hex
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HP_NSLIP = sum(HP_NSLIPSYSTEM), & !< total # of slip systems for hP
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HP_NTWIN = sum(HP_NTWINSYSTEM) !< total # of twin systems for hP
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real(pReal), dimension(4+4,HEX_NSLIP), parameter :: &
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HEX_SYSTEMSLIP = reshape(real([&
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real(pReal), dimension(4+4,HP_NSLIP), parameter :: &
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HP_SYSTEMSLIP = reshape(real([&
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! <-1-1.0>{00.1}/basal systems (independent of c/a-ratio)
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2, -1, -1, 0, 0, 0, 0, 1, &
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-1, 2, -1, 0, 0, 0, 0, 1, &
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@ -246,10 +249,10 @@ module lattice
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1, 1, -2, 3, -1, -1, 2, 2, &
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-1, 2, -1, 3, 1, -2, 1, 2, &
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-2, 1, 1, 3, 2, -1, -1, 2 &
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],pReal),shape(HEX_SYSTEMSLIP)) !< hex slip systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
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],pReal),shape(HP_SYSTEMSLIP)) !< hP slip systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
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real(pReal), dimension(4+4,HEX_NTWIN), parameter :: &
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HEX_SYSTEMTWIN = reshape(real([&
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real(pReal), dimension(4+4,HP_NTWIN), parameter :: &
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HP_SYSTEMTWIN = reshape(real([&
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! <-10.1>{10.2} systems, shear = (3-(c/a)^2)/(sqrt(3) c/a)
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! tension in Co, Mg, Zr, Ti, and Be; compression in Cd and Zn
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-1, 0, 1, 1, 1, 0, -1, 2, & !
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@ -282,18 +285,19 @@ module lattice
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-1, -1, 2, -3, -1, -1, 2, 2, &
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1, -2, 1, -3, 1, -2, 1, 2, &
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2, -1, -1, -3, 2, -1, -1, 2 &
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],pReal),shape(HEX_SYSTEMTWIN)) !< hex twin systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
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],pReal),shape(HP_SYSTEMTWIN)) !< hP twin systems, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
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!--------------------------------------------------------------------------------------------------
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! body centered tetragonal (tI)
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! tI: body centered tetragonal (bct)
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integer, dimension(*), parameter :: &
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BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct
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TI_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for tI
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integer, parameter :: &
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BCT_NSLIP = sum(BCT_NSLIPSYSTEM) !< total # of slip systems for bct
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TI_NSLIP = sum(TI_NSLIPSYSTEM) !< total # of slip systems for tI
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real(pReal), dimension(3+3,BCT_NSLIP), parameter :: &
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BCT_SYSTEMSLIP = reshape(real([&
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real(pReal), dimension(3+3,TI_NSLIP), parameter :: &
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TI_SYSTEMSLIP = reshape(real([&
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! {100)<001] systems
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0, 0, 1, 1, 0, 0, &
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0, 0, 1, 0, 1, 0, &
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@ -359,7 +363,7 @@ module lattice
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1,-1, 1, -2,-1, 1, &
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-1, 1, 1, -1,-2, 1, &
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1, 1, 1, 1,-2, 1 &
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],pReal),shape(BCT_SYSTEMSLIP)) !< bct slip systems for c/a = 0.5456 (Sn), sorted by Bieler 2009 (https://doi.org/10.1007/s11664-009-0909-x)
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],pReal),shape(TI_SYSTEMSLIP)) !< tI slip systems for c/a = 0.5456 (Sn), sorted by Bieler 2009 (https://doi.org/10.1007/s11664-009-0909-x)
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interface lattice_forestProjection_edge
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@ -428,8 +432,8 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
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f, & !< index of my family
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s !< index of my system in current family
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integer, dimension(HEX_NTWIN), parameter :: &
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HEX_SHEARTWIN = reshape( [&
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integer, dimension(HP_NTWIN), parameter :: &
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HP_SHEARTWIN = reshape( [&
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1, & ! <-10.1>{10.2}
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1, &
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1, &
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@ -454,7 +458,7 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
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4, &
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4, &
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4 &
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],[HEX_NTWIN]) ! indicator to formulas below
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],[HP_NTWIN]) !< indicator to formulas below
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a = 0
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myFamilies: do f = 1,size(Ntwin,1)
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@ -466,8 +470,8 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
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case('hP')
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if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
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call IO_error(131,ext_msg='lattice_characteristicShear_Twin')
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p = sum(HEX_NTWINSYSTEM(1:f-1))+s
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select case(HEX_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29
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p = sum(HP_NTWINSYSTEM(1:f-1))+s
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select case(HP_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29
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case (1) ! <-10.1>{10.2}
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characteristicShear(a) = (3.0_pReal-cOverA**2)/sqrt(3.0_pReal)/CoverA
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case (2) ! <11.6>{-1-1.1}
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@ -504,13 +508,13 @@ function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
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select case(lattice)
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case('cF')
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coordinateSystem = buildCoordinateSystem(Ntwin,FCC_NSLIPSYSTEM,FCC_SYSTEMTWIN,&
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coordinateSystem = buildCoordinateSystem(Ntwin,CF_NSLIPSYSTEM,CF_SYSTEMTWIN,&
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lattice,0.0_pReal)
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case('cI')
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coordinateSystem = buildCoordinateSystem(Ntwin,BCC_NSLIPSYSTEM,BCC_SYSTEMTWIN,&
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coordinateSystem = buildCoordinateSystem(Ntwin,CI_NSLIPSYSTEM,CI_SYSTEMTWIN,&
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lattice,0.0_pReal)
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case('hP')
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coordinateSystem = buildCoordinateSystem(Ntwin,HEX_NSLIPSYSTEM,HEX_SYSTEMTWIN,&
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coordinateSystem = buildCoordinateSystem(Ntwin,HP_NSLIPSYSTEM,HP_SYSTEMTWIN,&
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lattice,cOverA)
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case default
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call IO_error(137,ext_msg='lattice_C66_twin: '//trim(lattice))
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@ -528,12 +532,12 @@ end function lattice_C66_twin
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!> @brief Rotated elasticity matrices for transformation in 6x6-matrix notation
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!--------------------------------------------------------------------------------------------------
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function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
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cOverA_trans,a_fcc,a_bcc)
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cOverA_trans,a_cF,a_cI)
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|
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integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
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character(len=2), intent(in) :: lattice_target !< Bravais lattice (Pearson symbol)
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real(pReal), dimension(6,6), intent(in) :: C_parent66
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real(pReal), optional, intent(in) :: cOverA_trans, a_fcc, a_bcc
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real(pReal), optional, intent(in) :: cOverA_trans, a_cF, a_cI
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real(pReal), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
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|
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real(pReal), dimension(6,6) :: C_bar66, C_target_unrotated66
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|
@ -562,8 +566,8 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
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C_target_unrotated66(3,3) = C_bar66(3,3)
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C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2)))
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C_target_unrotated66 = lattice_symmetrize_C66(C_target_unrotated66,'hP')
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elseif (lattice_target == 'cI' .and. present(a_fcc) .and. present(a_bcc)) then
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if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
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elseif (lattice_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
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if (a_cI <= 0.0_pReal .or. a_cF <= 0.0_pReal) &
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call IO_error(134,ext_msg='lattice_C66_trans: '//trim(lattice_target))
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C_target_unrotated66 = C_parent66
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else
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@ -575,7 +579,7 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
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call IO_error(135,el=i,ext_msg='matrix diagonal "el"ement in transformation')
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enddo
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||||
|
||||
call buildTransformationSystem(Q,S,Ntrans,cOverA_trans,a_fcc,a_bcc)
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call buildTransformationSystem(Q,S,Ntrans,cOverA_trans,a_cF,a_cI)
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do i = 1,sum(Ntrans)
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call R%fromMatrix(Q(1:3,1:3,i))
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|
@ -586,7 +590,7 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
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|
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|
||||
!--------------------------------------------------------------------------------------------------
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||||
!> @brief Non-schmid projections for bcc with up to 6 coefficients
|
||||
!> @brief Non-schmid projections for cI with up to 6 coefficients
|
||||
! https://doi.org/10.1016/j.actamat.2012.03.053, eq. (17)
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||||
! https://doi.org/10.1016/j.actamat.2008.07.037, table 1
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||||
!--------------------------------------------------------------------------------------------------
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||||
|
@ -605,7 +609,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
|
|||
|
||||
if (abs(sense) /= 1) error stop 'Sense in lattice_nonSchmidMatrix'
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||||
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||||
coordinateSystem = buildCoordinateSystem(Nslip,BCC_NSLIPSYSTEM,BCC_SYSTEMSLIP,'cI',0.0_pReal)
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coordinateSystem = buildCoordinateSystem(Nslip,CI_NSLIPSYSTEM,CI_SYSTEMSLIP,'cI',0.0_pReal)
|
||||
coordinateSystem(1:3,1,1:sum(Nslip)) = coordinateSystem(1:3,1,1:sum(Nslip))*real(sense,pReal) ! convert unidirectional coordinate system
|
||||
nonSchmidMatrix = lattice_SchmidMatrix_slip(Nslip,'cI',0.0_pReal) ! Schmid contribution
|
||||
|
||||
|
@ -636,8 +640,8 @@ end function lattice_nonSchmidMatrix
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip-slip interaction matrix
|
||||
!> @details only active slip systems are considered
|
||||
!> @details https://doi.org/10.1016/j.actamat.2016.12.040 (fcc: Tab S4-1, bcc: Tab S5-1)
|
||||
!> @details https://doi.org/10.1016/j.ijplas.2014.06.010 (hex: Tab 3b)
|
||||
!> @details https://doi.org/10.1016/j.actamat.2016.12.040 (cF: Tab S4-1, cI: Tab S5-1)
|
||||
!> @details https://doi.org/10.1016/j.ijplas.2014.06.010 (hP: Tab 3b)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
|
@ -650,8 +654,8 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
|
||||
integer, dimension(FCC_NSLIP,FCC_NSLIP), parameter :: &
|
||||
FCC_INTERACTIONSLIPSLIP = reshape( [&
|
||||
integer, dimension(CF_NSLIP,CF_NSLIP), parameter :: &
|
||||
CF_INTERACTIONSLIPSLIP = reshape( [&
|
||||
1, 2, 2, 4, 7, 5, 3, 5, 5, 4, 6, 7, 10,11,10,11,12,13, & ! -----> acting (forest)
|
||||
2, 1, 2, 7, 4, 5, 6, 4, 7, 5, 3, 5, 10,11,12,13,10,11, & ! |
|
||||
2, 2, 1, 5, 5, 3, 6, 7, 4, 7, 6, 4, 12,13,10,11,10,11, & ! |
|
||||
|
@ -671,7 +675,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
11,13,11,10,12,10,10,12,10,11,13,11, 9, 9, 8, 1, 9, 9, &
|
||||
12,10,10,13,11,11,12,10,10,13,11,11, 9, 9, 9, 9, 1, 8, &
|
||||
13,11,11,12,10,10,13,11,11,12,10,10, 9, 9, 9, 9, 8, 1 &
|
||||
],shape(FCC_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for fcc / Madec 2017 (https://doi.org/10.1016/j.actamat.2016.12.040)
|
||||
],shape(CF_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for cF / Madec 2017 (https://doi.org/10.1016/j.actamat.2016.12.040)
|
||||
!< 1: self interaction --> alpha 0
|
||||
!< 2: coplanar interaction --> alpha copla
|
||||
!< 3: collinear interaction --> alpha coli
|
||||
|
@ -686,8 +690,8 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
!<12: crossing btw one {110} and one {111} plane
|
||||
!<13: collinear btw one {110} and one {111} plane
|
||||
|
||||
integer, dimension(BCC_NSLIP,BCC_NSLIP), parameter :: &
|
||||
BCC_INTERACTIONSLIPSLIP = reshape( [&
|
||||
integer, dimension(CI_NSLIP,CI_NSLIP), parameter :: &
|
||||
CI_INTERACTIONSLIPSLIP = reshape( [&
|
||||
1, 3, 6, 6, 7, 5, 4, 2, 4, 2, 7, 5, 18,18,11, 8, 9,13,17,14,13, 9,17,14, 28,25,28,28,25,28,28,28,28,25,28,28,25,28,28,28,28,28,28,25,28,28,28,25, &! -----> acting (forest)
|
||||
3, 1, 6, 6, 4, 2, 7, 5, 7, 5, 4, 2, 18,18, 8,11,13, 9,14,17, 9,13,14,17, 25,28,28,28,28,25,28,28,25,28,28,28,28,25,28,28,28,28,25,28,28,28,25,28, &! |
|
||||
6, 6, 1, 3, 5, 7, 2, 4, 5, 7, 2, 4, 11, 8,18,18,17,14, 9,13,17,14,13, 9, 28,28,28,25,28,28,25,28,28,28,28,25,28,28,25,28,28,25,28,28,28,25,28,28, &! |
|
||||
|
@ -738,7 +742,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
28,28,25,28,28,28,25,28,28,28,25,28, 28,26,28,28,28,28,26,28,28,28,28,26, 28,28,28,27,28,28,27,28,28,28,28,27,28,28,27,28,28,27,28,28,28, 1,28,28, &
|
||||
28,25,28,28,28,25,28,28,28,28,28,25, 28,28,26,28,28,26,28,28,26,28,28,28, 27,28,28,28,28,27,28,28,27,28,28,28,28,27,28,28,28,28,27,28,28,28, 1,28, &
|
||||
25,28,28,28,28,28,28,25,28,25,28,28, 28,28,28,26,26,28,28,28,28,26,28,28, 28,27,28,28,27,28,28,28,28,27,28,28,27,28,28,28,28,28,28,27,28,28,28, 1 &
|
||||
],shape(BCC_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for bcc / Madec 2017 (https://doi.org/10.1016/j.actamat.2016.12.040)
|
||||
],shape(CI_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for cI / Madec 2017 (https://doi.org/10.1016/j.actamat.2016.12.040)
|
||||
!< 1: self interaction --> alpha 0
|
||||
!< 2: collinear interaction --> alpha 1
|
||||
!< 3: coplanar interaction --> alpha 2
|
||||
|
@ -751,8 +755,8 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
!< 27: {123}-{123} collinear
|
||||
!< 28: other interaction
|
||||
|
||||
integer, dimension(HEX_NSLIP,HEX_NSLIP), parameter :: &
|
||||
HEX_INTERACTIONSLIPSLIP = reshape( [&
|
||||
integer, dimension(HP_NSLIP,HP_NSLIP), parameter :: &
|
||||
HP_INTERACTIONSLIPSLIP = reshape( [&
|
||||
! basal prism 1. pyr<a> 1. pyr<c+a> 2. pyr<c+a>
|
||||
1, 2, 2, 3, 4, 4, 9,10, 9, 9,10, 9, 20,21,22,22,21,20,20,21,22,22,21,20, 47,47,48,47,47,48, & ! -----> acting (forest)
|
||||
2, 1, 2, 4, 3, 4, 10, 9, 9,10, 9, 9, 22,22,21,20,20,21,22,22,21,20,20,21, 47,48,47,47,48,47, & ! | basal
|
||||
|
@ -788,7 +792,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
68,68,69, 66,66,67, 64,64,65,64,64,65, 60,63,63,60,62,62,60,61,61,60,62,62, 59,58,58,57,58,58, & ! 2. pyr<c+a>
|
||||
68,69,68, 66,67,66, 65,64,64,65,64,64, 62,62,60,63,63,60,62,62,60,61,61,60, 58,59,58,58,57,58, &
|
||||
69,68,68, 67,66,66, 64,65,64,64,65,64, 61,60,62,62,60,63,63,60,62,62,60,61, 58,58,59,58,58,57 &
|
||||
],shape(HEX_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for hex (onion peel naming scheme)
|
||||
],shape(HP_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for hP (onion peel naming scheme)
|
||||
!< 10.1016/j.ijplas.2014.06.010 table 3
|
||||
!< 10.1080/14786435.2012.699689 table 2 and 3
|
||||
!< index & label & description
|
||||
|
@ -862,8 +866,8 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
!< 68 & 12 & 2. order pyramidal <c+a>/basal non-collinear
|
||||
!< 69 & 11 & 2. order pyramidal <c+a>/basal semi-collinear
|
||||
|
||||
integer, dimension(BCT_NSLIP,BCT_NSLIP), parameter :: &
|
||||
BCT_INTERACTIONSLIPSLIP = reshape( [&
|
||||
integer, dimension(TI_NSLIP,TI_NSLIP), parameter :: &
|
||||
TI_INTERACTIONSLIPSLIP = reshape( [&
|
||||
1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! -----> acting
|
||||
2, 1, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! |
|
||||
! |
|
||||
|
@ -928,22 +932,22 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
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, 169,170,170,170,170,169,170,170, &
|
||||
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, 169,170,170,170,170,170,169,170, &
|
||||
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 &
|
||||
],shape(BCT_INTERACTIONSLIPSLIP))
|
||||
],shape(TI_INTERACTIONSLIPSLIP))
|
||||
|
||||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
interactionTypes = FCC_INTERACTIONSLIPSLIP
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
interactionTypes = CF_INTERACTIONSLIPSLIP
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
case('cI')
|
||||
interactionTypes = BCC_INTERACTIONSLIPSLIP
|
||||
NslipMax = BCC_NSLIPSYSTEM
|
||||
interactionTypes = CI_INTERACTIONSLIPSLIP
|
||||
NslipMax = CI_NSLIPSYSTEM
|
||||
case('hP')
|
||||
interactionTypes = HEX_INTERACTIONSLIPSLIP
|
||||
NslipMax = HEX_NSLIPSYSTEM
|
||||
interactionTypes = HP_INTERACTIONSLIPSLIP
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
case('tI')
|
||||
interactionTypes = BCT_INTERACTIONSLIPSLIP
|
||||
NslipMax = BCT_NSLIPSYSTEM
|
||||
interactionTypes = TI_INTERACTIONSLIPSLIP
|
||||
NslipMax = TI_NSLIPSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(lattice))
|
||||
end select
|
||||
|
@ -967,8 +971,8 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(
|
|||
integer, dimension(:), allocatable :: NtwinMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(FCC_NTWIN,FCC_NTWIN), parameter :: &
|
||||
FCC_INTERACTIONTWINTWIN = reshape( [&
|
||||
integer, dimension(CF_NTWIN,CF_NTWIN), parameter :: &
|
||||
CF_INTERACTIONTWINTWIN = reshape( [&
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
|
@ -981,10 +985,10 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(
|
|||
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 &
|
||||
],shape(FCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for fcc
|
||||
],shape(CF_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for cF
|
||||
|
||||
integer, dimension(BCC_NTWIN,BCC_NTWIN), parameter :: &
|
||||
BCC_INTERACTIONTWINTWIN = reshape( [&
|
||||
integer, dimension(CI_NTWIN,CI_NTWIN), parameter :: &
|
||||
CI_INTERACTIONTWINTWIN = reshape( [&
|
||||
1,3,3,3,3,3,3,2,3,3,2,3, & ! -----> acting
|
||||
3,1,3,3,3,3,2,3,3,3,3,2, & ! |
|
||||
3,3,1,3,3,2,3,3,2,3,3,3, & ! |
|
||||
|
@ -997,12 +1001,12 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(
|
|||
3,3,3,2,2,3,3,3,3,1,3,3, &
|
||||
2,3,3,3,3,3,3,2,3,3,1,3, &
|
||||
3,2,3,3,3,3,2,3,3,3,3,1 &
|
||||
],shape(BCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for bcc
|
||||
],shape(CI_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for cI
|
||||
!< 1: self interaction
|
||||
!< 2: collinear interaction
|
||||
!< 3: other interaction
|
||||
integer, dimension(HEX_NTWIN,HEX_NTWIN), parameter :: &
|
||||
HEX_INTERACTIONTWINTWIN = reshape( [&
|
||||
integer, dimension(HP_NTWIN,HP_NTWIN), parameter :: &
|
||||
HP_INTERACTIONTWINTWIN = reshape( [&
|
||||
! <-10.1>{10.2} <11.6>{-1-1.1} <10.-2>{10.1} <11.-3>{11.2}
|
||||
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! -----> acting
|
||||
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
|
||||
|
@ -1031,18 +1035,18 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(
|
|||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,16,17,17, & ! <11.-3>{11.2}
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,16,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,17,16 &
|
||||
],shape(HEX_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for hex
|
||||
],shape(HP_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for hP
|
||||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
interactionTypes = FCC_INTERACTIONTWINTWIN
|
||||
NtwinMax = FCC_NTWINSYSTEM
|
||||
interactionTypes = CF_INTERACTIONTWINTWIN
|
||||
NtwinMax = CF_NTWINSYSTEM
|
||||
case('cI')
|
||||
interactionTypes = BCC_INTERACTIONTWINTWIN
|
||||
NtwinMax = BCC_NTWINSYSTEM
|
||||
interactionTypes = CI_INTERACTIONTWINTWIN
|
||||
NtwinMax = CI_NTWINSYSTEM
|
||||
case('hP')
|
||||
interactionTypes = HEX_INTERACTIONTWINTWIN
|
||||
NtwinMax = HEX_NTWINSYSTEM
|
||||
interactionTypes = HP_INTERACTIONTWINTWIN
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(lattice))
|
||||
end select
|
||||
|
@ -1066,8 +1070,8 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) resu
|
|||
integer, dimension(:), allocatable :: NtransMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(FCC_NTRANS,FCC_NTRANS), parameter :: &
|
||||
FCC_INTERACTIONTRANSTRANS = reshape( [&
|
||||
integer, dimension(CF_NTRANS,CF_NTRANS), parameter :: &
|
||||
CF_INTERACTIONTRANSTRANS = reshape( [&
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
|
@ -1080,11 +1084,11 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) resu
|
|||
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 &
|
||||
],shape(FCC_INTERACTIONTRANSTRANS)) !< Trans-trans interaction types for fcc
|
||||
],shape(CF_INTERACTIONTRANSTRANS)) !< Trans-trans interaction types for cF
|
||||
|
||||
if (lattice == 'cF') then
|
||||
interactionTypes = FCC_INTERACTIONTRANSTRANS
|
||||
NtransMax = FCC_NTRANSSYSTEM
|
||||
interactionTypes = CF_INTERACTIONTRANSTRANS
|
||||
NtransMax = CF_NTRANSSYSTEM
|
||||
else
|
||||
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(lattice))
|
||||
end if
|
||||
|
@ -1110,8 +1114,8 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
NtwinMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(FCC_NTWIN,FCC_NSLIP), parameter :: &
|
||||
FCC_INTERACTIONSLIPTWIN = reshape( [&
|
||||
integer, dimension(CF_NTWIN,CF_NSLIP), parameter :: &
|
||||
CF_INTERACTIONSLIPTWIN = reshape( [&
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> twin (acting)
|
||||
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
|
||||
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
|
||||
|
@ -1131,12 +1135,12 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
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 &
|
||||
],shape(FCC_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for fcc
|
||||
],shape(CF_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for cF
|
||||
!< 1: coplanar interaction
|
||||
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
|
||||
!< 3: other interaction
|
||||
integer, dimension(BCC_NTWIN,BCC_NSLIP), parameter :: &
|
||||
BCC_INTERACTIONSLIPTWIN = reshape( [&
|
||||
integer, dimension(CI_NTWIN,CI_NSLIP), parameter :: &
|
||||
CI_INTERACTIONSLIPTWIN = reshape( [&
|
||||
3,3,3,2,2,3,3,3,3,2,3,3, & ! -----> twin (acting)
|
||||
3,3,2,3,3,2,3,3,2,3,3,3, & ! |
|
||||
3,2,3,3,3,3,2,3,3,3,3,2, & ! |
|
||||
|
@ -1187,14 +1191,14 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
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 &
|
||||
],shape(BCC_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for bcc
|
||||
],shape(CI_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for cI
|
||||
!< 1: coplanar interaction
|
||||
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
|
||||
!< 3: other interaction
|
||||
!< 4: other interaction with slip family {123}
|
||||
|
||||
integer, dimension(HEX_NTWIN,HEX_NSLIP), parameter :: &
|
||||
HEX_INTERACTIONSLIPTWIN = reshape( [&
|
||||
integer, dimension(HP_NTWIN,HP_NSLIP), parameter :: &
|
||||
HP_INTERACTIONSLIPTWIN = reshape( [&
|
||||
! <-10.1>{10.2} <11.6>{-1-1.1} <10.-2>{10.1} <11.-3>{11.2}
|
||||
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 (acting)
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | basal
|
||||
|
@ -1230,21 +1234,21 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, & ! 2. pyr<c+a>
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20 &
|
||||
],shape(HEX_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for hex
|
||||
],shape(HP_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for hP
|
||||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
interactionTypes = FCC_INTERACTIONSLIPTWIN
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
NtwinMax = FCC_NTWINSYSTEM
|
||||
interactionTypes = CF_INTERACTIONSLIPTWIN
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
NtwinMax = CF_NTWINSYSTEM
|
||||
case('cI')
|
||||
interactionTypes = BCC_INTERACTIONSLIPTWIN
|
||||
NslipMax = BCC_NSLIPSYSTEM
|
||||
NtwinMax = BCC_NTWINSYSTEM
|
||||
interactionTypes = CI_INTERACTIONSLIPTWIN
|
||||
NslipMax = CI_NSLIPSYSTEM
|
||||
NtwinMax = CI_NTWINSYSTEM
|
||||
case('hP')
|
||||
interactionTypes = HEX_INTERACTIONSLIPTWIN
|
||||
NslipMax = HEX_NSLIPSYSTEM
|
||||
NtwinMax = HEX_NTWINSYSTEM
|
||||
interactionTypes = HP_INTERACTIONSLIPTWIN
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(lattice))
|
||||
end select
|
||||
|
@ -1270,8 +1274,8 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice)
|
|||
NtransMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(FCC_NTRANS,FCC_NSLIP), parameter :: &
|
||||
FCC_INTERACTIONSLIPTRANS = reshape( [&
|
||||
integer, dimension(CF_NTRANS,CF_NSLIP), parameter :: &
|
||||
CF_INTERACTIONSLIPTRANS = reshape( [&
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> trans (acting)
|
||||
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
|
||||
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
|
||||
|
@ -1291,13 +1295,13 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,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 &
|
||||
],shape(FCC_INTERACTIONSLIPTRANS)) !< Slip-trans interaction types for fcc
|
||||
],shape(CF_INTERACTIONSLIPTRANS)) !< Slip-trans interaction types for cF
|
||||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
interactionTypes = FCC_INTERACTIONSLIPTRANS
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
NtransMax = FCC_NTRANSSYSTEM
|
||||
interactionTypes = CF_INTERACTIONSLIPTRANS
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
NtransMax = CF_NTRANSSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(lattice))
|
||||
end select
|
||||
|
@ -1323,14 +1327,14 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) r
|
|||
NslipMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(FCC_NSLIP,FCC_NTWIN), parameter :: &
|
||||
FCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for fcc
|
||||
integer, dimension(CF_NSLIP,CF_NTWIN), parameter :: &
|
||||
CF_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for cF
|
||||
|
||||
integer, dimension(BCC_NSLIP,BCC_NTWIN), parameter :: &
|
||||
BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc
|
||||
integer, dimension(CI_NSLIP,CI_NTWIN), parameter :: &
|
||||
CI_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for cI
|
||||
|
||||
integer, dimension(HEX_NSLIP,HEX_NTWIN), parameter :: &
|
||||
HEX_INTERACTIONTWINSLIP = reshape( [&
|
||||
integer, dimension(HP_NSLIP,HP_NTWIN), parameter :: &
|
||||
HP_INTERACTIONTWINSLIP = reshape( [&
|
||||
! basal prism 1. pyr<a> 1. pyr<c+a> 2. pyr<c+a>
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! ----> slip (acting)
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! |
|
||||
|
@ -1359,21 +1363,21 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) r
|
|||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20, & ! <11.-3>{11.2}
|
||||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20 &
|
||||
],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-slip interaction types for hex
|
||||
],shape(HP_INTERACTIONTWINSLIP)) !< Twin-slip interaction types for hP
|
||||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
interactionTypes = FCC_INTERACTIONTWINSLIP
|
||||
NtwinMax = FCC_NTWINSYSTEM
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
interactionTypes = CF_INTERACTIONTWINSLIP
|
||||
NtwinMax = CF_NTWINSYSTEM
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
case('cI')
|
||||
interactionTypes = BCC_INTERACTIONTWINSLIP
|
||||
NtwinMax = BCC_NTWINSYSTEM
|
||||
NslipMax = BCC_NSLIPSYSTEM
|
||||
interactionTypes = CI_INTERACTIONTWINSLIP
|
||||
NtwinMax = CI_NTWINSYSTEM
|
||||
NslipMax = CI_NSLIPSYSTEM
|
||||
case('hP')
|
||||
interactionTypes = HEX_INTERACTIONTWINSLIP
|
||||
NtwinMax = HEX_NTWINSYSTEM
|
||||
NslipMax = HEX_NSLIPSYSTEM
|
||||
interactionTypes = HP_INTERACTIONTWINSLIP
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(lattice))
|
||||
end select
|
||||
|
@ -1401,17 +1405,17 @@ function lattice_SchmidMatrix_slip(Nslip,lattice,cOverA) result(SchmidMatrix)
|
|||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
slipSystems = FCC_SYSTEMSLIP
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
slipSystems = CF_SYSTEMSLIP
|
||||
case('cI')
|
||||
NslipMax = BCC_NSLIPSYSTEM
|
||||
slipSystems = BCC_SYSTEMSLIP
|
||||
NslipMax = CI_NSLIPSYSTEM
|
||||
slipSystems = CI_SYSTEMSLIP
|
||||
case('hP')
|
||||
NslipMax = HEX_NSLIPSYSTEM
|
||||
slipSystems = HEX_SYSTEMSLIP
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
slipSystems = HP_SYSTEMSLIP
|
||||
case('tI')
|
||||
NslipMax = BCT_NSLIPSYSTEM
|
||||
slipSystems = BCT_SYSTEMSLIP
|
||||
NslipMax = TI_NSLIPSYSTEM
|
||||
slipSystems = TI_SYSTEMSLIP
|
||||
case default
|
||||
allocate(NslipMax(0))
|
||||
call IO_error(137,ext_msg='lattice_SchmidMatrix_slip: '//trim(lattice))
|
||||
|
@ -1451,14 +1455,14 @@ function lattice_SchmidMatrix_twin(Ntwin,lattice,cOverA) result(SchmidMatrix)
|
|||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
NtwinMax = FCC_NTWINSYSTEM
|
||||
twinSystems = FCC_SYSTEMTWIN
|
||||
NtwinMax = CF_NTWINSYSTEM
|
||||
twinSystems = CF_SYSTEMTWIN
|
||||
case('cI')
|
||||
NtwinMax = BCC_NTWINSYSTEM
|
||||
twinSystems = BCC_SYSTEMTWIN
|
||||
NtwinMax = CI_NTWINSYSTEM
|
||||
twinSystems = CI_SYSTEMTWIN
|
||||
case('hP')
|
||||
NtwinMax = HEX_NTWINSYSTEM
|
||||
twinSystems = HEX_SYSTEMTWIN
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
twinSystems = HP_SYSTEMTWIN
|
||||
case default
|
||||
allocate(NtwinMax(0))
|
||||
call IO_error(137,ext_msg='lattice_SchmidMatrix_twin: '//trim(lattice))
|
||||
|
@ -1484,11 +1488,11 @@ end function lattice_SchmidMatrix_twin
|
|||
!> @brief Schmid matrix for transformation
|
||||
!> details only active twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_fcc,a_bcc) result(SchmidMatrix)
|
||||
function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_cF,a_cI) result(SchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
|
||||
character(len=2), intent(in) :: lattice_target !< Bravais lattice (Pearson symbol)
|
||||
real(pReal), optional, intent(in) :: cOverA, a_bcc, a_fcc
|
||||
real(pReal), optional, intent(in) :: cOverA, a_cI, a_cF
|
||||
real(pReal), dimension(3,3,sum(Ntrans)) :: SchmidMatrix
|
||||
|
||||
real(pReal), dimension(3,3,sum(Ntrans)) :: devNull
|
||||
|
@ -1498,10 +1502,10 @@ function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_fcc,a_bcc) re
|
|||
if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
|
||||
call IO_error(131,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA=cOverA)
|
||||
else if (lattice_target == 'cI' .and. present(a_fcc) .and. present(a_bcc)) then
|
||||
if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
|
||||
else if (lattice_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
|
||||
if (a_cI <= 0.0_pReal .or. a_cF <= 0.0_pReal) &
|
||||
call IO_error(134,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,a_fcc=a_fcc,a_bcc=a_bcc)
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,a_cF=a_cF,a_cI=a_cI)
|
||||
else
|
||||
call IO_error(131,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
end if
|
||||
|
@ -1527,11 +1531,11 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,lattice,cOverA) result(SchmidMa
|
|||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
NcleavageMax = FCC_NCLEAVAGESYSTEM
|
||||
cleavageSystems = FCC_SYSTEMCLEAVAGE
|
||||
NcleavageMax = CF_NCLEAVAGESYSTEM
|
||||
cleavageSystems = CF_SYSTEMCLEAVAGE
|
||||
case('cI')
|
||||
NcleavageMax = BCC_NCLEAVAGESYSTEM
|
||||
cleavageSystems = BCC_SYSTEMCLEAVAGE
|
||||
NcleavageMax = CI_NCLEAVAGESYSTEM
|
||||
cleavageSystems = CI_SYSTEMCLEAVAGE
|
||||
case default
|
||||
allocate(NcleavageMax(0))
|
||||
call IO_error(137,ext_msg='lattice_SchmidMatrix_cleavage: '//trim(lattice))
|
||||
|
@ -1623,17 +1627,17 @@ function lattice_labels_slip(Nslip,lattice) result(labels)
|
|||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
slipSystems = FCC_SYSTEMSLIP
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
slipSystems = CF_SYSTEMSLIP
|
||||
case('cI')
|
||||
NslipMax = BCC_NSLIPSYSTEM
|
||||
slipSystems = BCC_SYSTEMSLIP
|
||||
NslipMax = CI_NSLIPSYSTEM
|
||||
slipSystems = CI_SYSTEMSLIP
|
||||
case('hP')
|
||||
NslipMax = HEX_NSLIPSYSTEM
|
||||
slipSystems = HEX_SYSTEMSLIP
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
slipSystems = HP_SYSTEMSLIP
|
||||
case('tI')
|
||||
NslipMax = BCT_NSLIPSYSTEM
|
||||
slipSystems = BCT_SYSTEMSLIP
|
||||
NslipMax = TI_NSLIPSYSTEM
|
||||
slipSystems = TI_SYSTEMSLIP
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_labels_slip: '//trim(lattice))
|
||||
end select
|
||||
|
@ -1737,14 +1741,14 @@ function lattice_labels_twin(Ntwin,lattice) result(labels)
|
|||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
NtwinMax = FCC_NTWINSYSTEM
|
||||
twinSystems = FCC_SYSTEMTWIN
|
||||
NtwinMax = CF_NTWINSYSTEM
|
||||
twinSystems = CF_SYSTEMTWIN
|
||||
case('cI')
|
||||
NtwinMax = BCC_NTWINSYSTEM
|
||||
twinSystems = BCC_SYSTEMTWIN
|
||||
NtwinMax = CI_NTWINSYSTEM
|
||||
twinSystems = CI_SYSTEMTWIN
|
||||
case('hP')
|
||||
NtwinMax = HEX_NTWINSYSTEM
|
||||
twinSystems = HEX_SYSTEMTWIN
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
twinSystems = HP_SYSTEMTWIN
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_labels_twin: '//trim(lattice))
|
||||
end select
|
||||
|
@ -1823,17 +1827,17 @@ function coordinateSystem_slip(Nslip,lattice,cOverA) result(coordinateSystem)
|
|||
|
||||
select case(lattice)
|
||||
case('cF')
|
||||
NslipMax = FCC_NSLIPSYSTEM
|
||||
slipSystems = FCC_SYSTEMSLIP
|
||||
NslipMax = CF_NSLIPSYSTEM
|
||||
slipSystems = CF_SYSTEMSLIP
|
||||
case('cI')
|
||||
NslipMax = BCC_NSLIPSYSTEM
|
||||
slipSystems = BCC_SYSTEMSLIP
|
||||
NslipMax = CI_NSLIPSYSTEM
|
||||
slipSystems = CI_SYSTEMSLIP
|
||||
case('hP')
|
||||
NslipMax = HEX_NSLIPSYSTEM
|
||||
slipSystems = HEX_SYSTEMSLIP
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
slipSystems = HP_SYSTEMSLIP
|
||||
case('tI')
|
||||
NslipMax = BCT_NSLIPSYSTEM
|
||||
slipSystems = BCT_SYSTEMSLIP
|
||||
NslipMax = TI_NSLIPSYSTEM
|
||||
slipSystems = TI_SYSTEMSLIP
|
||||
case default
|
||||
allocate(NslipMax(0))
|
||||
call IO_error(137,ext_msg='coordinateSystem_slip: '//trim(lattice))
|
||||
|
@ -1962,10 +1966,10 @@ end function buildCoordinateSystem
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Helper function to define transformation systems
|
||||
! Needed to calculate Schmid matrix and rotated stiffness matrices.
|
||||
! @details: set c/a = 0.0 for fcc -> bcc transformation
|
||||
! set a_Xcc = 0.0 for fcc -> hex transformation
|
||||
! @details: use c/a for cF -> cI transformation
|
||||
! use a_cX for cF -> hP transformation
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
||||
subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
||||
|
||||
integer, dimension(:), intent(in) :: &
|
||||
Ntrans
|
||||
|
@ -1973,13 +1977,13 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
|||
Q, & !< Total rotation: Q = R*B
|
||||
S !< Eigendeformation tensor for phase transformation
|
||||
real(pReal), optional, intent(in) :: &
|
||||
cOverA, & !< c/a for target hex lattice
|
||||
a_bcc, & !< lattice parameter a for bcc target lattice
|
||||
a_fcc !< lattice parameter a for fcc parent lattice
|
||||
cOverA, & !< c/a for target hP lattice
|
||||
a_cF, & !< lattice parameter a for cF target lattice
|
||||
a_cI !< lattice parameter a for cI parent lattice
|
||||
|
||||
type(tRotation) :: &
|
||||
R, & !< Pitsch rotation
|
||||
B !< Rotation of fcc to Bain coordinate system
|
||||
B !< Rotation of cF to Bain coordinate system
|
||||
real(pReal), dimension(3,3) :: &
|
||||
U, & !< Bain deformation
|
||||
ss, sd
|
||||
|
@ -1987,8 +1991,8 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
|||
x, y, z
|
||||
integer :: &
|
||||
i
|
||||
real(pReal), dimension(3+3,FCC_NTRANS), parameter :: &
|
||||
FCCTOHEX_SYSTEMTRANS = reshape(real( [&
|
||||
real(pReal), dimension(3+3,CF_NTRANS), parameter :: &
|
||||
CFTOHP_SYSTEMTRANS = reshape(real( [&
|
||||
-2, 1, 1, 1, 1, 1, &
|
||||
1,-2, 1, 1, 1, 1, &
|
||||
1, 1,-2, 1, 1, 1, &
|
||||
|
@ -2001,10 +2005,10 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
|||
2, 1,-1, -1, 1,-1, &
|
||||
-1,-2,-1, -1, 1,-1, &
|
||||
-1, 1, 2, -1, 1,-1 &
|
||||
],pReal),shape(FCCTOHEX_SYSTEMTRANS))
|
||||
],pReal),shape(CFTOHP_SYSTEMTRANS))
|
||||
|
||||
real(pReal), dimension(4,fcc_Ntrans), parameter :: &
|
||||
FCCTOBCC_SYSTEMTRANS = reshape([&
|
||||
real(pReal), dimension(4,cF_Ntrans), parameter :: &
|
||||
CFTOCI_SYSTEMTRANS = reshape([&
|
||||
0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
|
||||
0.0,-1.0, 0.0, 10.26, &
|
||||
0.0, 0.0, 1.0, 10.26, &
|
||||
|
@ -2017,10 +2021,10 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
|||
-1.0, 0.0, 0.0, 10.26, &
|
||||
0.0, 1.0, 0.0, 10.26, &
|
||||
0.0,-1.0, 0.0, 10.26 &
|
||||
],shape(FCCTOBCC_SYSTEMTRANS))
|
||||
],shape(CFTOCI_SYSTEMTRANS))
|
||||
|
||||
integer, dimension(9,fcc_Ntrans), parameter :: &
|
||||
FCCTOBCC_BAINVARIANT = reshape( [&
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integer, dimension(9,cF_Ntrans), parameter :: &
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CFTOCI_BAINVARIANT = reshape( [&
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1, 0, 0, 0, 1, 0, 0, 0, 1, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
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1, 0, 0, 0, 1, 0, 0, 0, 1, &
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1, 0, 0, 0, 1, 0, 0, 0, 1, &
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|
@ -2033,11 +2037,11 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
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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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],shape(FCCTOBCC_BAINVARIANT))
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],shape(CFTOCI_BAINVARIANT))
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real(pReal), dimension(4,fcc_Ntrans), parameter :: &
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||||
FCCTOBCC_BAINROT = reshape([&
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||||
1.0, 0.0, 0.0, 45.0, & ! Rotate fcc austensite to bain variant
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real(pReal), dimension(4,cF_Ntrans), parameter :: &
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||||
CFTOCI_BAINROT = reshape([&
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||||
1.0, 0.0, 0.0, 45.0, & ! Rotate cF austensite to bain variant
|
||||
1.0, 0.0, 0.0, 45.0, &
|
||||
1.0, 0.0, 0.0, 45.0, &
|
||||
1.0, 0.0, 0.0, 45.0, &
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||||
|
@ -2049,19 +2053,17 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
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0.0, 0.0, 1.0, 45.0, &
|
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0.0, 0.0, 1.0, 45.0, &
|
||||
0.0, 0.0, 1.0, 45.0 &
|
||||
],shape(FCCTOBCC_BAINROT))
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||||
],shape(CFTOCI_BAINROT))
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||||
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||||
if (present(a_bcc) .and. present(a_fcc)) then
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||||
if (present(a_cI) .and. present(a_cF)) then
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||||
do i = 1,sum(Ntrans)
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||||
call R%fromAxisAngle(FCCTOBCC_SYSTEMTRANS(:,i),degrees=.true.,P=1)
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||||
call B%fromAxisAngle(FCCTOBCC_BAINROT(:,i), degrees=.true.,P=1)
|
||||
x = real(FCCTOBCC_BAINVARIANT(1:3,i),pReal)
|
||||
y = real(FCCTOBCC_BAINVARIANT(4:6,i),pReal)
|
||||
z = real(FCCTOBCC_BAINVARIANT(7:9,i),pReal)
|
||||
call R%fromAxisAngle(CFTOCI_SYSTEMTRANS(:,i),degrees=.true.,P=1)
|
||||
call B%fromAxisAngle(CFTOCI_BAINROT(:,i), degrees=.true.,P=1)
|
||||
x = real(CFTOCI_BAINVARIANT(1:3,i),pReal)
|
||||
y = real(CFTOCI_BAINVARIANT(4:6,i),pReal)
|
||||
z = real(CFTOCI_BAINVARIANT(7:9,i),pReal)
|
||||
|
||||
U = (a_bcc/a_fcc)*math_outer(x,x) &
|
||||
+ (a_bcc/a_fcc)*math_outer(y,y) * sqrt(2.0_pReal) &
|
||||
+ (a_bcc/a_fcc)*math_outer(z,z) * sqrt(2.0_pReal)
|
||||
U = (a_cI/a_cF) * (math_outer(x,x) + (math_outer(y,y)+math_outer(z,z)) * sqrt(2.0_pReal))
|
||||
Q(1:3,1:3,i) = matmul(R%asMatrix(),B%asMatrix())
|
||||
S(1:3,1:3,i) = matmul(R%asMatrix(),U) - MATH_I3
|
||||
enddo
|
||||
|
@ -2072,8 +2074,8 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
|||
sd(3,3) = cOverA/sqrt(8.0_pReal/3.0_pReal)
|
||||
|
||||
do i = 1,sum(Ntrans)
|
||||
x = FCCTOHEX_SYSTEMTRANS(1:3,i)/norm2(FCCTOHEX_SYSTEMTRANS(1:3,i))
|
||||
z = FCCTOHEX_SYSTEMTRANS(4:6,i)/norm2(FCCTOHEX_SYSTEMTRANS(4:6,i))
|
||||
x = CFTOHP_SYSTEMTRANS(1:3,i)/norm2(CFTOHP_SYSTEMTRANS(1:3,i))
|
||||
z = CFTOHP_SYSTEMTRANS(4:6,i)/norm2(CFTOHP_SYSTEMTRANS(4:6,i))
|
||||
y = -math_cross(x,z)
|
||||
Q(1:3,1,i) = x
|
||||
Q(1:3,2,i) = y
|
||||
|
|
|
@ -200,7 +200,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. (N_sl(1) == 12)
|
||||
if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
|
||||
if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_CF_TWINNUCLEATIONSLIPPAIR
|
||||
|
||||
rho_mob_0 = pl%get_as1dFloat('rho_mob_0', requiredSize=size(N_sl))
|
||||
rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
|
||||
|
|
Loading…
Reference in New Issue