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DAMASK_EICMD
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no need to prefix internal parameters 

also, use CAPITALS for parameters, but not for module prefixes (does not
work for IO and HDF5 anyway)
This commit is contained in:
Martin Diehl 2020-03-10 13:45:00 +01:00
parent 39b2f8d2d9
commit aa75591ea9
2 changed files with 196 additions and 196 deletions
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8
src/constitutive_plastic_dislotwin.f90
View File

@ -198,10 +198,10 @@ module subroutine plastic_dislotwin_init
prm%n0_sl = lattice_slip_normal(prm%N_sl,config%getString('lattice_structure'),& prm%n0_sl = lattice_slip_normal(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) & prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == lattice_FCC_ID) &
.and. (prm%N_sl(1) == 12) .and. (prm%N_sl(1) == 12)
if(prm%fccTwinTransNucleation) & if(prm%fccTwinTransNucleation) &
prm%fcc_twinNucleationSlipPair = lattice_fcc_twinNucleationSlipPair prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl)) prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl))
prm%rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%N_sl)) prm%rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%N_sl))
@ -230,7 +230,7 @@ module subroutine plastic_dislotwin_init
prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) & prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) &
* merge(12.0_pReal, & * merge(12.0_pReal, &
8.0_pReal, & 8.0_pReal, &
lattice_structure(p) == LATTICE_FCC_ID .or. lattice_structure(p) == LATTICE_HEX_ID) lattice_structure(p) == lattice_FCC_ID .or. lattice_structure(p) == lattice_HEX_ID)
! expand: family => system ! expand: family => system
@ -335,7 +335,7 @@ module subroutine plastic_dislotwin_init
config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal)) config%getFloat('a_fcc', defaultVal=0.0_pReal))
if (lattice_structure(p) /= LATTICE_fcc_ID) then if (lattice_structure(p) /= lattice_FCC_ID) then
prm%dot_N_0_tr = config%getFloats('ndot0_trans') prm%dot_N_0_tr = config%getFloats('ndot0_trans')
prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,prm%N_tr) prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,prm%N_tr)
endif endif

384
src/lattice.f90
View File

@ -19,32 +19,32 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! face centered cubic ! face centered cubic
integer, dimension(2), parameter :: & integer, dimension(2), parameter :: &
LATTICE_FCC_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for fcc FCC_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for fcc
integer, dimension(1), parameter :: & integer, dimension(1), parameter :: &
LATTICE_FCC_NTWINSYSTEM = [12] !< # of twin systems per family for fcc FCC_NTWINSYSTEM = [12] !< # of twin systems per family for fcc
integer, dimension(1), parameter :: & integer, dimension(1), parameter :: &
LATTICE_FCC_NTRANSSYSTEM = [12] !< # of transformation systems per family for fcc FCC_NTRANSSYSTEM = [12] !< # of transformation systems per family for fcc
integer, dimension(1), parameter :: & integer, dimension(1), parameter :: &
LATTICE_FCC_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for fcc FCC_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for fcc
integer, parameter :: & integer, parameter :: &
#ifndef __PGI #ifndef __PGI
LATTICE_FCC_NSLIP = sum(LATTICE_FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc FCC_NSLIP = sum(FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc
LATTICE_FCC_NTWIN = sum(LATTICE_FCC_NTWINSYSTEM), & !< total # of twin systems for fcc FCC_NTWIN = sum(FCC_NTWINSYSTEM), & !< total # of twin systems for fcc
LATTICE_FCC_NTRANS = sum(LATTICE_FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc FCC_NTRANS = sum(FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc
LATTICE_FCC_NCLEAVAGE = sum(LATTICE_FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc FCC_NCLEAVAGE = sum(FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc
#else #else
LATTICE_FCC_NSLIP = 18, & FCC_NSLIP = 18, &
LATTICE_FCC_NTWIN = 12, & FCC_NTWIN = 12, &
LATTICE_FCC_NTRANS = 12, & FCC_NTRANS = 12, &
LATTICE_FCC_NCLEAVAGE = 3 FCC_NCLEAVAGE = 3
#endif #endif
real(pReal), dimension(3+3,LATTICE_FCC_NSLIP), parameter :: & real(pReal), dimension(3+3,FCC_NSLIP), parameter :: &
LATTICE_FCC_SYSTEMSLIP = reshape(real([& FCC_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! SCHMID-BOAS notation ! Slip direction Plane normal ! SCHMID-BOAS notation
0, 1,-1, 1, 1, 1, & ! B2 0, 1,-1, 1, 1, 1, & ! B2
-1, 0, 1, 1, 1, 1, & ! B4 -1, 0, 1, 1, 1, 1, & ! B4
@ -65,10 +65,10 @@ module lattice
1, 0,-1, 1, 0, 1, & 1, 0,-1, 1, 0, 1, &
0, 1, 1, 0, 1,-1, & 0, 1, 1, 0, 1,-1, &
0, 1,-1, 0, 1, 1 & 0, 1,-1, 0, 1, 1 &
],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli ],pReal),shape(FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
real(pReal), dimension(3+3,LATTICE_FCC_NTWIN), parameter :: & real(pReal), dimension(3+3,FCC_NTWIN), parameter :: &
LATTICE_FCC_SYSTEMTWIN = reshape(real( [& FCC_SYSTEMTWIN = reshape(real( [&
-2, 1, 1, 1, 1, 1, & -2, 1, 1, 1, 1, 1, &
1,-2, 1, 1, 1, 1, & 1,-2, 1, 1, 1, 1, &
1, 1,-2, 1, 1, 1, & 1, 1,-2, 1, 1, 1, &
@ -81,10 +81,10 @@ module lattice
2, 1,-1, -1, 1,-1, & 2, 1,-1, -1, 1,-1, &
-1,-2,-1, -1, 1,-1, & -1,-2,-1, -1, 1,-1, &
-1, 1, 2, -1, 1,-1 & -1, 1, 2, -1, 1,-1 &
],pReal),shape(LATTICE_FCC_SYSTEMTWIN)) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli ],pReal),shape(FCC_SYSTEMTWIN)) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
integer, dimension(2,LATTICE_FCC_NTWIN), parameter, public :: & integer, dimension(2,FCC_NTWIN), parameter, public :: &
LATTICE_FCC_TWINNUCLEATIONSLIPPAIR = reshape( [& lattice_FCC_TWINNUCLEATIONSLIPPAIR = reshape( [&
2,3, & 2,3, &
1,3, & 1,3, &
1,2, & 1,2, &
@ -97,40 +97,40 @@ module lattice
11,12, & 11,12, &
10,12, & 10,12, &
10,11 & 10,11 &
],shape(LATTICE_FCC_TWINNUCLEATIONSLIPPAIR)) ],shape(lattice_FCC_TWINNUCLEATIONSLIPPAIR))
real(pReal), dimension(3+3,LATTICE_FCC_NCLEAVAGE), parameter :: & real(pReal), dimension(3+3,FCC_NCLEAVAGE), parameter :: &
LATTICE_FCC_SYSTEMCLEAVAGE = reshape(real([& FCC_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, & 0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 & 1, 0, 0, 0, 0, 1 &
],pReal),shape(LATTICE_FCC_SYSTEMCLEAVAGE)) ],pReal),shape(FCC_SYSTEMCLEAVAGE))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! body centered cubic ! body centered cubic
integer, dimension(2), parameter :: & integer, dimension(2), parameter :: &
LATTICE_BCC_NSLIPSYSTEM = [12, 12] !< # of slip systems per family for bcc BCC_NSLIPSYSTEM = [12, 12] !< # of slip systems per family for bcc
integer, dimension(1), parameter :: & integer, dimension(1), parameter :: &
LATTICE_BCC_NTWINSYSTEM = [12] !< # of twin systems per family for bcc BCC_NTWINSYSTEM = [12] !< # of twin systems per family for bcc
integer, dimension(1), parameter :: & integer, dimension(1), parameter :: &
LATTICE_BCC_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for bcc BCC_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for bcc
integer, parameter :: & integer, parameter :: &
#ifndef __PGI #ifndef __PGI
LATTICE_BCC_NSLIP = sum(LATTICE_BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc BCC_NSLIP = sum(BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc
LATTICE_BCC_NTWIN = sum(LATTICE_BCC_NTWINSYSTEM), & !< total # of twin systems for bcc BCC_NTWIN = sum(BCC_NTWINSYSTEM), & !< total # of twin systems for bcc
LATTICE_BCC_NCLEAVAGE = sum(LATTICE_BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc BCC_NCLEAVAGE = sum(BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc
#else #else
LATTICE_BCC_NSLIP = 24, & BCC_NSLIP = 24, &
LATTICE_BCC_NTWIN = 12, & BCC_NTWIN = 12, &
LATTICE_BCC_NCLEAVAGE = 3 BCC_NCLEAVAGE = 3
#endif #endif
real(pReal), dimension(3+3,LATTICE_BCC_NSLIP), parameter :: & real(pReal), dimension(3+3,BCC_NSLIP), parameter :: &
LATTICE_BCC_SYSTEMSLIP = reshape(real([& BCC_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Slip system <111>{110} ! Slip system <111>{110}
1,-1, 1, 0, 1, 1, & 1,-1, 1, 0, 1, 1, &
@ -158,10 +158,10 @@ module lattice
1,-1, 1, -1, 1, 2, & 1,-1, 1, -1, 1, 2, &
-1, 1, 1, 1,-1, 2, & -1, 1, 1, 1,-1, 2, &
1, 1, 1, 1, 1,-2 & 1, 1, 1, 1, 1,-2 &
],pReal),shape(LATTICE_BCC_SYSTEMSLIP)) ],pReal),shape(BCC_SYSTEMSLIP))
real(pReal), dimension(3+3,LATTICE_BCC_NTWIN), parameter :: & real(pReal), dimension(3+3,BCC_NTWIN), parameter :: &
LATTICE_BCC_SYSTEMTWIN = reshape(real([& BCC_SYSTEMTWIN = reshape(real([&
! Twin system <111>{112} ! Twin system <111>{112}
-1, 1, 1, 2, 1, 1, & -1, 1, 1, 2, 1, 1, &
1, 1, 1, -2, 1, 1, & 1, 1, 1, -2, 1, 1, &
@ -175,35 +175,35 @@ module lattice
1,-1, 1, -1, 1, 2, & 1,-1, 1, -1, 1, 2, &
-1, 1, 1, 1,-1, 2, & -1, 1, 1, 1,-1, 2, &
1, 1, 1, 1, 1,-2 & 1, 1, 1, 1, 1,-2 &
],pReal),shape(LATTICE_BCC_SYSTEMTWIN)) ],pReal),shape(BCC_SYSTEMTWIN))
real(pReal), dimension(3+3,LATTICE_BCC_NCLEAVAGE), parameter :: & real(pReal), dimension(3+3,BCC_NCLEAVAGE), parameter :: &
LATTICE_BCC_SYSTEMCLEAVAGE = reshape(real([& BCC_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, & 0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 & 1, 0, 0, 0, 0, 1 &
],pReal),shape(LATTICE_BCC_SYSTEMCLEAVAGE)) ],pReal),shape(BCC_SYSTEMCLEAVAGE))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hexagonal ! hexagonal
integer, dimension(6), parameter :: & integer, dimension(6), parameter :: &
LATTICE_HEX_NSLIPSYSTEM = [3, 3, 3, 6, 12, 6] !< # of slip systems per family for hex HEX_NSLIPSYSTEM = [3, 3, 3, 6, 12, 6] !< # of slip systems per family for hex
integer, dimension(4), parameter :: & integer, dimension(4), parameter :: &
LATTICE_HEX_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hex HEX_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hex
integer, parameter :: & integer, parameter :: &
#ifndef __PGI #ifndef __PGI
LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSYSTEM), & !< total # of slip systems for hex HEX_NSLIP = sum(HEX_NSLIPSYSTEM), & !< total # of slip systems for hex
LATTICE_HEX_NTWIN = sum(LATTICE_HEX_NTWINSYSTEM) !< total # of twin systems for hex HEX_NTWIN = sum(HEX_NTWINSYSTEM) !< total # of twin systems for hex
#else #else
LATTICE_HEX_NSLIP = 33, & HEX_NSLIP = 33, &
LATTICE_HEX_NTWIN = 24 HEX_NTWIN = 24
#endif #endif
real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter :: & real(pReal), dimension(4+4,HEX_NSLIP), parameter :: &
LATTICE_HEX_SYSTEMSLIP = reshape(real([& HEX_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Basal systems <-1-1.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base)) ! Basal systems <-1-1.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
2, -1, -1, 0, 0, 0, 0, 1, & 2, -1, -1, 0, 0, 0, 0, 1, &
@ -244,10 +244,10 @@ module lattice
1, 1, -2, 3, -1, -1, 2, 2, & 1, 1, -2, 3, -1, -1, 2, 2, &
-1, 2, -1, 3, 1, -2, 1, 2, & -1, 2, -1, 3, 1, -2, 1, 2, &
-2, 1, 1, 3, 2, -1, -1, 2 & -2, 1, 1, 3, 2, -1, -1, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis ],pReal),shape(HEX_SYSTEMSLIP)) !< slip systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
real(pReal), dimension(4+4,LATTICE_HEX_NTWIN), parameter :: & real(pReal), dimension(4+4,HEX_NTWIN), parameter :: &
LATTICE_HEX_SYSTEMTWIN = reshape(real([& HEX_SYSTEMTWIN = reshape(real([&
! Compression or Tension = f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981) ! Compression or Tension = f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
-1, 0, 1, 1, 1, 0, -1, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a) -1, 0, 1, 1, 1, 0, -1, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
0, -1, 1, 1, 0, 1, -1, 2, & 0, -1, 1, 1, 0, 1, -1, 2, &
@ -276,22 +276,22 @@ module lattice
-1, -1, 2, -3, -1, -1, 2, 2, & -1, -1, 2, -3, -1, -1, 2, 2, &
1, -2, 1, -3, 1, -2, 1, 2, & 1, -2, 1, -3, 1, -2, 1, 2, &
2, -1, -1, -3, 2, -1, -1, 2 & 2, -1, -1, -3, 2, -1, -1, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis ],pReal),shape(HEX_SYSTEMTWIN)) !< twin systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! body centered tetragonal ! body centered tetragonal
integer, dimension(13), parameter :: & integer, dimension(13), parameter :: &
LATTICE_BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009 BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
integer, parameter :: & integer, parameter :: &
#ifndef __PGI #ifndef __PGI
LATTICE_BCT_NSLIP = sum(LATTICE_BCT_NSLIPSYSTEM) !< total # of slip systems for bct BCT_NSLIP = sum(BCT_NSLIPSYSTEM) !< total # of slip systems for bct
#else #else
LATTICE_BCT_NSLIP = 52 BCT_NSLIP = 52
#endif #endif
real(pReal), dimension(3+3,LATTICE_BCT_NSLIP), parameter :: & real(pReal), dimension(3+3,BCT_NSLIP), parameter :: &
LATTICE_BCT_SYSTEMSLIP = reshape(real([& BCT_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456) ! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456)
0, 0, 1, 1, 0, 0, & 0, 0, 1, 1, 0, 0, &
@ -358,37 +358,37 @@ module lattice
1,-1, 1, -2,-1, 1, & 1,-1, 1, -2,-1, 1, &
-1, 1, 1, -1,-2, 1, & -1, 1, 1, -1,-2, 1, &
1, 1, 1, 1,-2, 1 & 1, 1, 1, 1,-2, 1 &
],pReal),shape(LATTICE_BCT_SYSTEMSLIP)) !< slip systems for bct sorted by Bieler ],pReal),shape(BCT_SYSTEMSLIP)) !< slip systems for bct sorted by Bieler
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! orthorhombic ! orthorhombic
integer, dimension(3), parameter :: & integer, dimension(3), parameter :: &
LATTICE_ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho
integer, parameter :: & integer, parameter :: &
#ifndef __PGI #ifndef __PGI
LATTICE_ORT_NCLEAVAGE = sum(LATTICE_ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho ORT_NCLEAVAGE = sum(ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho
#else #else
LATTICE_ORT_NCLEAVAGE = 3 ORT_NCLEAVAGE = 3
#endif #endif
real(pReal), dimension(3+3,LATTICE_ORT_NCLEAVAGE), parameter :: & real(pReal), dimension(3+3,ORT_NCLEAVAGE), parameter :: &
LATTICE_ORT_SYSTEMCLEAVAGE = reshape(real([& ORT_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal ! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, & 0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 & 1, 0, 0, 0, 0, 1 &
],pReal),shape(LATTICE_ORT_SYSTEMCLEAVAGE)) ],pReal),shape(ORT_SYSTEMCLEAVAGE))
enum, bind(c) enum, bind(c)
enumerator :: LATTICE_UNDEFINED_ID, & enumerator :: lattice_UNDEFINED_ID, &
LATTICE_ISO_ID, & lattice_ISO_ID, &
LATTICE_FCC_ID, & lattice_FCC_ID, &
LATTICE_BCC_ID, & lattice_BCC_ID, &
LATTICE_BCT_ID, & lattice_BCT_ID, &
LATTICE_HEX_ID, & lattice_HEX_ID, &
LATTICE_ORT_ID lattice_ORT_ID
end enum end enum
! SHOULD NOT BE PART OF LATTICE BEGIN ! SHOULD NOT BE PART OF LATTICE BEGIN
@ -401,7 +401,7 @@ module lattice
lattice_C66, & lattice_C66, &
lattice_thermalConductivity, & lattice_thermalConductivity, &
lattice_damageDiffusion lattice_damageDiffusion
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: & integer(kind(lattice_UNDEFINED_ID)), dimension(:), allocatable, public, protected :: &
lattice_structure lattice_structure
! SHOULD NOT BE PART OF LATTICE END ! SHOULD NOT BE PART OF LATTICE END
@ -415,12 +415,12 @@ module lattice
public :: & public :: &
lattice_init, & lattice_init, &
LATTICE_ISO_ID, & lattice_ISO_ID, &
LATTICE_FCC_ID, & lattice_FCC_ID, &
LATTICE_BCC_ID, & lattice_BCC_ID, &
LATTICE_BCT_ID, & lattice_BCT_ID, &
LATTICE_HEX_ID, & lattice_HEX_ID, &
LATTICE_ORT_ID, & lattice_ORT_ID, &
lattice_applyLatticeSymmetry33, & lattice_applyLatticeSymmetry33, &
lattice_SchmidMatrix_slip, & lattice_SchmidMatrix_slip, &
lattice_SchmidMatrix_twin, & lattice_SchmidMatrix_twin, &
@ -458,7 +458,7 @@ subroutine lattice_init
Nphases = size(config_phase) Nphases = size(config_phase)
allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID) allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID)
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal) allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_thermalConductivity (3,3,Nphases), source=0.0_pReal) allocate(lattice_thermalConductivity (3,3,Nphases), source=0.0_pReal)
@ -485,17 +485,17 @@ subroutine lattice_init
structure = config_phase(p)%getString('lattice_structure') structure = config_phase(p)%getString('lattice_structure')
select case(trim(structure)) select case(trim(structure))
case('iso') case('iso')
lattice_structure(p) = LATTICE_ISO_ID lattice_structure(p) = lattice_ISO_ID
case('fcc') case('fcc')
lattice_structure(p) = LATTICE_FCC_ID lattice_structure(p) = lattice_FCC_ID
case('bcc') case('bcc')
lattice_structure(p) = LATTICE_BCC_ID lattice_structure(p) = lattice_BCC_ID
case('hex') case('hex')
lattice_structure(p) = LATTICE_HEX_ID lattice_structure(p) = lattice_HEX_ID
case('bct') case('bct')
lattice_structure(p) = LATTICE_BCT_ID lattice_structure(p) = lattice_BCT_ID
case('ort') case('ort')
lattice_structure(p) = LATTICE_ORT_ID lattice_structure(p) = lattice_ORT_ID
case default case default
call IO_error(130,ext_msg='lattice_init: '//trim(structure)) call IO_error(130,ext_msg='lattice_init: '//trim(structure))
end select end select
@ -555,7 +555,7 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
f, & !< index of my family f, & !< index of my family
s !< index of my system in current family s !< index of my system in current family
integer, dimension(LATTICE_HEX_NTWIN), parameter :: & integer, dimension(HEX_NTWIN), parameter :: &
HEX_SHEARTWIN = reshape( [& HEX_SHEARTWIN = reshape( [&
1, & ! <-10.1>{10.2} 1, & ! <-10.1>{10.2}
1, & 1, &
@ -581,7 +581,7 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
4, & 4, &
4, & 4, &
4 & 4 &
],[LATTICE_HEX_NTWIN]) ! indicator to formulas below ],[HEX_NTWIN]) ! indicator to formulas below
if (len_trim(structure) /= 3) & if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_characteristicShear_Twin: '//trim(structure)) call IO_error(137,ext_msg='lattice_characteristicShear_Twin: '//trim(structure))
@ -596,7 +596,7 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
case('hex') case('hex')
if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) & if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
call IO_error(131,ext_msg='lattice_characteristicShear_Twin') call IO_error(131,ext_msg='lattice_characteristicShear_Twin')
p = sum(LATTICE_HEX_NTWINSYSTEM(1:f-1))+s p = sum(HEX_NTWINSYSTEM(1:f-1))+s
select case(HEX_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29 select case(HEX_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29
case (1) ! <-10.1>{10.2} case (1) ! <-10.1>{10.2}
characteristicShear(a) = (3.0_pReal-cOverA**2.0_pReal)/sqrt(3.0_pReal)/CoverA characteristicShear(a) = (3.0_pReal-cOverA**2.0_pReal)/sqrt(3.0_pReal)/CoverA
@ -636,13 +636,13 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
select case(structure) select case(structure)
case('fcc') case('fcc')
coordinateSystem = buildCoordinateSystem(Ntwin,LATTICE_FCC_NSLIPSYSTEM,LATTICE_FCC_SYSTEMTWIN,& coordinateSystem = buildCoordinateSystem(Ntwin,FCC_NSLIPSYSTEM,FCC_SYSTEMTWIN,&
trim(structure),0.0_pReal) trim(structure),0.0_pReal)
case('bcc') case('bcc')
coordinateSystem = buildCoordinateSystem(Ntwin,LATTICE_BCC_NSLIPSYSTEM,LATTICE_BCC_SYSTEMTWIN,& coordinateSystem = buildCoordinateSystem(Ntwin,BCC_NSLIPSYSTEM,BCC_SYSTEMTWIN,&
trim(structure),0.0_pReal) trim(structure),0.0_pReal)
case('hex') case('hex')
coordinateSystem = buildCoordinateSystem(Ntwin,LATTICE_HEX_NSLIPSYSTEM,LATTICE_HEX_SYSTEMTWIN,& coordinateSystem = buildCoordinateSystem(Ntwin,HEX_NSLIPSYSTEM,HEX_SYSTEMTWIN,&
'hex',cOverA) 'hex',cOverA)
case default case default
call IO_error(137,ext_msg='lattice_C66_twin: '//trim(structure)) call IO_error(137,ext_msg='lattice_C66_twin: '//trim(structure))
@ -737,7 +737,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
if (abs(sense) /= 1) call IO_error(0,ext_msg='lattice_nonSchmidMatrix') if (abs(sense) /= 1) call IO_error(0,ext_msg='lattice_nonSchmidMatrix')
coordinateSystem = buildCoordinateSystem(Nslip,LATTICE_BCC_NSLIPSYSTEM,LATTICE_BCC_SYSTEMSLIP,& coordinateSystem = buildCoordinateSystem(Nslip,BCC_NSLIPSYSTEM,BCC_SYSTEMSLIP,&
'bcc',0.0_pReal) 'bcc',0.0_pReal)
coordinateSystem(1:3,1,1:sum(Nslip)) = coordinateSystem(1:3,1,1:sum(Nslip)) *real(sense,pReal) ! convert unidirectional coordinate system 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,'bcc',0.0_pReal) ! Schmid contribution nonSchmidMatrix = lattice_SchmidMatrix_slip(Nslip,'bcc',0.0_pReal) ! Schmid contribution
@ -780,7 +780,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(:), allocatable :: NslipMax integer, dimension(:), allocatable :: NslipMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(FCC_NSLIP,FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPSLIP = reshape( [& FCC_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! -----> acting 1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! -----> acting
2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! | 2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! |
@ -815,7 +815,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
!<11: crossing btw one {110} and one {111} plane !<11: crossing btw one {110} and one {111} plane
!<12: collinear btw one {110} and one {111} plane !<12: collinear btw one {110} and one {111} plane
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: & integer, dimension(BCC_NSLIP,BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPSLIP = reshape( [& BCC_INTERACTIONSLIPSLIP = reshape( [&
1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! -----> acting 1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! -----> acting
2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! | 2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
@ -850,7 +850,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
!< 5: mixed-symmetrical junction !< 5: mixed-symmetrical junction
!< 6: edge junction !< 6: edge junction
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: & integer, dimension(HEX_NSLIP,HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPSLIP = reshape( [& HEX_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! -----> acting 1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! -----> acting
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! | 2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
@ -892,7 +892,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 & 42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 &
],shape(HEX_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for hex (onion peel naming scheme) ],shape(HEX_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for hex (onion peel naming scheme)
integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: & integer, dimension(BCT_NSLIP,BCT_NSLIP), parameter :: &
BCT_INTERACTIONSLIPSLIP = reshape( [& BCT_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 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, & ! | 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, & ! |
@ -967,16 +967,16 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
select case(structure) select case(structure)
case('fcc') case('fcc')
interactionTypes = FCC_INTERACTIONSLIPSLIP interactionTypes = FCC_INTERACTIONSLIPSLIP
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
case('bcc') case('bcc')
interactionTypes = BCC_INTERACTIONSLIPSLIP interactionTypes = BCC_INTERACTIONSLIPSLIP
NslipMax = LATTICE_BCC_NSLIPSYSTEM NslipMax = BCC_NSLIPSYSTEM
case('hex') case('hex')
interactionTypes = HEX_INTERACTIONSLIPSLIP interactionTypes = HEX_INTERACTIONSLIPSLIP
NslipMax = LATTICE_HEX_NSLIPSYSTEM NslipMax = HEX_NSLIPSYSTEM
case('bct') case('bct')
interactionTypes = BCT_INTERACTIONSLIPSLIP interactionTypes = BCT_INTERACTIONSLIPSLIP
NslipMax = LATTICE_BCT_NSLIPSYSTEM NslipMax = BCT_NSLIPSYSTEM
case default case default
call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(structure))
end select end select
@ -1000,7 +1000,7 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
integer, dimension(:), allocatable :: NtwinMax integer, dimension(:), allocatable :: NtwinMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: & integer, dimension(FCC_NTWIN,FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINTWIN = reshape( [& FCC_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, & ! -----> 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, & ! |
@ -1016,7 +1016,7 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
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(FCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for fcc
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: & integer, dimension(BCC_NTWIN,BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINTWIN = reshape( [& BCC_INTERACTIONTWINTWIN = reshape( [&
1,3,3,3,3,3,3,2,3,3,2,3, & ! -----> acting 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, & ! | 3,1,3,3,3,3,2,3,3,3,3,2, & ! |
@ -1034,7 +1034,7 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
!< 1: self interaction !< 1: self interaction
!< 2: collinear interaction !< 2: collinear interaction
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: & integer, dimension(HEX_NTWIN,HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINTWIN = reshape( [& HEX_INTERACTIONTWINTWIN = reshape( [&
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 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, & ! | 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
@ -1071,13 +1071,13 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
select case(structure) select case(structure)
case('fcc') case('fcc')
interactionTypes = FCC_INTERACTIONTWINTWIN interactionTypes = FCC_INTERACTIONTWINTWIN
NtwinMax = LATTICE_FCC_NTWINSYSTEM NtwinMax = FCC_NTWINSYSTEM
case('bcc') case('bcc')
interactionTypes = BCC_INTERACTIONTWINTWIN interactionTypes = BCC_INTERACTIONTWINTWIN
NtwinMax = LATTICE_BCC_NTWINSYSTEM NtwinMax = BCC_NTWINSYSTEM
case('hex') case('hex')
interactionTypes = HEX_INTERACTIONTWINTWIN interactionTypes = HEX_INTERACTIONTWINTWIN
NtwinMax = LATTICE_HEX_NTWINSYSTEM NtwinMax = HEX_NTWINSYSTEM
case default case default
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(structure))
end select end select
@ -1101,7 +1101,7 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) re
integer, dimension(:), allocatable :: NtransMax integer, dimension(:), allocatable :: NtransMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: & integer, dimension(FCC_NTRANS,FCC_NTRANS), parameter :: &
FCC_INTERACTIONTRANSTRANS = reshape( [& FCC_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, & ! -----> 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, & ! |
@ -1122,7 +1122,7 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) re
if(structure == 'fcc') then if(structure == 'fcc') then
interactionTypes = FCC_INTERACTIONTRANSTRANS interactionTypes = FCC_INTERACTIONTRANSTRANS
NtransMax = LATTICE_FCC_NTRANSSYSTEM NtransMax = FCC_NTRANSSYSTEM
else else
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(structure))
end if end if
@ -1148,7 +1148,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
NtwinMax NtwinMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(FCC_NTWIN,FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTWIN = reshape( [& FCC_INTERACTIONSLIPTWIN = reshape( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> twin (acting) 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, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
@ -1173,7 +1173,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
!< 1: coplanar interaction !< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip) !< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: & integer, dimension(BCC_NTWIN,BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPTWIN = reshape( [& BCC_INTERACTIONSLIPTWIN = reshape( [&
3,3,3,2,2,3,3,3,3,2,3,3, & ! -----> twin (acting) 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, & ! | 3,3,2,3,3,2,3,3,2,3,3,3, & ! |
@ -1204,7 +1204,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
!< 1: coplanar interaction !< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip) !< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: & integer, dimension(HEX_NTWIN,HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPTWIN = reshape( [& HEX_INTERACTIONSLIPTWIN = reshape( [&
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, & ! ----> 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, & ! | 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
@ -1253,16 +1253,16 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
select case(structure) select case(structure)
case('fcc') case('fcc')
interactionTypes = FCC_INTERACTIONSLIPTWIN interactionTypes = FCC_INTERACTIONSLIPTWIN
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
NtwinMax = LATTICE_FCC_NTWINSYSTEM NtwinMax = FCC_NTWINSYSTEM
case('bcc') case('bcc')
interactionTypes = BCC_INTERACTIONSLIPTWIN interactionTypes = BCC_INTERACTIONSLIPTWIN
NslipMax = LATTICE_BCC_NSLIPSYSTEM NslipMax = BCC_NSLIPSYSTEM
NtwinMax = LATTICE_BCC_NTWINSYSTEM NtwinMax = BCC_NTWINSYSTEM
case('hex') case('hex')
interactionTypes = HEX_INTERACTIONSLIPTWIN interactionTypes = HEX_INTERACTIONSLIPTWIN
NslipMax = LATTICE_HEX_NSLIPSYSTEM NslipMax = HEX_NSLIPSYSTEM
NtwinMax = LATTICE_HEX_NTWINSYSTEM NtwinMax = HEX_NTWINSYSTEM
case default case default
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
end select end select
@ -1288,7 +1288,7 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
NtransMax NtransMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(FCC_NTRANS,FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTRANS = reshape( [& FCC_INTERACTIONSLIPTRANS = reshape( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> trans (acting) 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, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
@ -1317,8 +1317,8 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
select case(structure) select case(structure)
case('fcc') case('fcc')
interactionTypes = FCC_INTERACTIONSLIPTRANS interactionTypes = FCC_INTERACTIONSLIPTRANS
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
NtransMax = LATTICE_FCC_NTRANSSYSTEM NtransMax = FCC_NTRANSSYSTEM
case default case default
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
end select end select
@ -1344,13 +1344,13 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
NslipMax NslipMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: & integer, dimension(FCC_NSLIP,FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for fcc FCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for fcc
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: & integer, dimension(BCC_NSLIP,BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: & integer, dimension(HEX_NSLIP,HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINSLIP = reshape( [& HEX_INTERACTIONTWINSLIP = reshape( [&
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 (acting) 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 (acting)
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, & ! | 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, & ! |
@ -1387,16 +1387,16 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
select case(structure) select case(structure)
case('fcc') case('fcc')
interactionTypes = FCC_INTERACTIONTWINSLIP interactionTypes = FCC_INTERACTIONTWINSLIP
NtwinMax = LATTICE_FCC_NTWINSYSTEM NtwinMax = FCC_NTWINSYSTEM
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
case('bcc') case('bcc')
interactionTypes = BCC_INTERACTIONTWINSLIP interactionTypes = BCC_INTERACTIONTWINSLIP
NtwinMax = LATTICE_BCC_NTWINSYSTEM NtwinMax = BCC_NTWINSYSTEM
NslipMax = LATTICE_BCC_NSLIPSYSTEM NslipMax = BCC_NSLIPSYSTEM
case('hex') case('hex')
interactionTypes = HEX_INTERACTIONTWINSLIP interactionTypes = HEX_INTERACTIONTWINSLIP
NtwinMax = LATTICE_HEX_NTWINSYSTEM NtwinMax = HEX_NTWINSYSTEM
NslipMax = LATTICE_HEX_NSLIPSYSTEM NslipMax = HEX_NSLIPSYSTEM
case default case default
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
end select end select
@ -1427,17 +1427,17 @@ function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix)
select case(structure) select case(structure)
case('fcc') case('fcc')
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
slipSystems = LATTICE_FCC_SYSTEMSLIP slipSystems = FCC_SYSTEMSLIP
case('bcc') case('bcc')
NslipMax = LATTICE_BCC_NSLIPSYSTEM NslipMax = BCC_NSLIPSYSTEM
slipSystems = LATTICE_BCC_SYSTEMSLIP slipSystems = BCC_SYSTEMSLIP
case('hex') case('hex')
NslipMax = LATTICE_HEX_NSLIPSYSTEM NslipMax = HEX_NSLIPSYSTEM
slipSystems = LATTICE_HEX_SYSTEMSLIP slipSystems = HEX_SYSTEMSLIP
case('bct') case('bct')
NslipMax = LATTICE_BCT_NSLIPSYSTEM NslipMax = BCT_NSLIPSYSTEM
slipSystems = LATTICE_BCT_SYSTEMSLIP slipSystems = BCT_SYSTEMSLIP
case default case default
call IO_error(137,ext_msg='lattice_SchmidMatrix_slip: '//trim(structure)) call IO_error(137,ext_msg='lattice_SchmidMatrix_slip: '//trim(structure))
end select end select
@ -1479,14 +1479,14 @@ function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
select case(structure) select case(structure)
case('fcc') case('fcc')
NtwinMax = LATTICE_FCC_NTWINSYSTEM NtwinMax = FCC_NTWINSYSTEM
twinSystems = LATTICE_FCC_SYSTEMTWIN twinSystems = FCC_SYSTEMTWIN
case('bcc') case('bcc')
NtwinMax = LATTICE_BCC_NTWINSYSTEM NtwinMax = BCC_NTWINSYSTEM
twinSystems = LATTICE_BCC_SYSTEMTWIN twinSystems = BCC_SYSTEMTWIN
case('hex') case('hex')
NtwinMax = LATTICE_HEX_NTWINSYSTEM NtwinMax = HEX_NTWINSYSTEM
twinSystems = LATTICE_HEX_SYSTEMTWIN twinSystems = HEX_SYSTEMTWIN
case default case default
call IO_error(137,ext_msg='lattice_SchmidMatrix_twin: '//trim(structure)) call IO_error(137,ext_msg='lattice_SchmidMatrix_twin: '//trim(structure))
end select end select
@ -1558,14 +1558,14 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid
select case(structure) select case(structure)
case('ort') case('ort')
NcleavageMax = LATTICE_ORT_NCLEAVAGESYSTEM NcleavageMax = ORT_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_ORT_SYSTEMCLEAVAGE cleavageSystems = ORT_SYSTEMCLEAVAGE
case('fcc') case('fcc')
NcleavageMax = LATTICE_FCC_NCLEAVAGESYSTEM NcleavageMax = FCC_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_FCC_SYSTEMCLEAVAGE cleavageSystems = FCC_SYSTEMCLEAVAGE
case('bcc') case('bcc')
NcleavageMax = LATTICE_BCC_NCLEAVAGESYSTEM NcleavageMax = BCC_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_BCC_SYSTEMCLEAVAGE cleavageSystems = BCC_SYSTEMCLEAVAGE
case default case default
call IO_error(137,ext_msg='lattice_SchmidMatrix_cleavage: '//trim(structure)) call IO_error(137,ext_msg='lattice_SchmidMatrix_cleavage: '//trim(structure))
end select end select
@ -1659,17 +1659,17 @@ function lattice_labels_slip(Nslip,structure) result(labels)
select case(structure) select case(structure)
case('fcc') case('fcc')
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
slipSystems = LATTICE_FCC_SYSTEMSLIP slipSystems = FCC_SYSTEMSLIP
case('bcc') case('bcc')
NslipMax = LATTICE_BCC_NSLIPSYSTEM NslipMax = BCC_NSLIPSYSTEM
slipSystems = LATTICE_BCC_SYSTEMSLIP slipSystems = BCC_SYSTEMSLIP
case('hex') case('hex')
NslipMax = LATTICE_HEX_NSLIPSYSTEM NslipMax = HEX_NSLIPSYSTEM
slipSystems = LATTICE_HEX_SYSTEMSLIP slipSystems = HEX_SYSTEMSLIP
case('bct') case('bct')
NslipMax = LATTICE_BCT_NSLIPSYSTEM NslipMax = BCT_NSLIPSYSTEM
slipSystems = LATTICE_BCT_SYSTEMSLIP slipSystems = BCT_SYSTEMSLIP
case default case default
call IO_error(137,ext_msg='lattice_labels_slip: '//trim(structure)) call IO_error(137,ext_msg='lattice_labels_slip: '//trim(structure))
end select end select
@ -1821,14 +1821,14 @@ function lattice_labels_twin(Ntwin,structure) result(labels)
select case(structure) select case(structure)
case('fcc') case('fcc')
NtwinMax = LATTICE_FCC_NTWINSYSTEM NtwinMax = FCC_NTWINSYSTEM
twinSystems = LATTICE_FCC_SYSTEMTWIN twinSystems = FCC_SYSTEMTWIN
case('bcc') case('bcc')
NtwinMax = LATTICE_BCC_NTWINSYSTEM NtwinMax = BCC_NTWINSYSTEM
twinSystems = LATTICE_BCC_SYSTEMTWIN twinSystems = BCC_SYSTEMTWIN
case('hex') case('hex')
NtwinMax = LATTICE_HEX_NTWINSYSTEM NtwinMax = HEX_NTWINSYSTEM
twinSystems = LATTICE_HEX_SYSTEMTWIN twinSystems = HEX_SYSTEMTWIN
case default case default
call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure)) call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
end select end select
@ -1910,17 +1910,17 @@ function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
select case(structure) select case(structure)
case('fcc') case('fcc')
NslipMax = LATTICE_FCC_NSLIPSYSTEM NslipMax = FCC_NSLIPSYSTEM
slipSystems = LATTICE_FCC_SYSTEMSLIP slipSystems = FCC_SYSTEMSLIP
case('bcc') case('bcc')
NslipMax = LATTICE_BCC_NSLIPSYSTEM NslipMax = BCC_NSLIPSYSTEM
slipSystems = LATTICE_BCC_SYSTEMSLIP slipSystems = BCC_SYSTEMSLIP
case('hex') case('hex')
NslipMax = LATTICE_HEX_NSLIPSYSTEM NslipMax = HEX_NSLIPSYSTEM
slipSystems = LATTICE_HEX_SYSTEMSLIP slipSystems = HEX_SYSTEMSLIP
case('bct') case('bct')
NslipMax = LATTICE_BCT_NSLIPSYSTEM NslipMax = BCT_NSLIPSYSTEM
slipSystems = LATTICE_BCT_SYSTEMSLIP slipSystems = BCT_SYSTEMSLIP
case default case default
call IO_error(137,ext_msg='coordinateSystem_slip: '//trim(structure)) call IO_error(137,ext_msg='coordinateSystem_slip: '//trim(structure))
end select end select
@ -2075,8 +2075,8 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
x, y, z x, y, z
integer :: & integer :: &
i i
real(pReal), dimension(3+3,LATTICE_FCC_NTRANS), parameter :: & real(pReal), dimension(3+3,FCC_NTRANS), parameter :: &
LATTICE_FCCTOHEX_SYSTEMTRANS = reshape(real( [& FCCTOHEX_SYSTEMTRANS = reshape(real( [&
-2, 1, 1, 1, 1, 1, & -2, 1, 1, 1, 1, 1, &
1,-2, 1, 1, 1, 1, & 1,-2, 1, 1, 1, 1, &
1, 1,-2, 1, 1, 1, & 1, 1,-2, 1, 1, 1, &
@ -2089,9 +2089,9 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
2, 1,-1, -1, 1,-1, & 2, 1,-1, -1, 1,-1, &
-1,-2,-1, -1, 1,-1, & -1,-2,-1, -1, 1,-1, &
-1, 1, 2, -1, 1,-1 & -1, 1, 2, -1, 1,-1 &
],pReal),shape(LATTICE_FCCTOHEX_SYSTEMTRANS)) ],pReal),shape(FCCTOHEX_SYSTEMTRANS))
real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter :: & real(pReal), dimension(4,fcc_Ntrans), parameter :: &
LATTICE_FCCTOBCC_SYSTEMTRANS = reshape([& FCCTOBCC_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, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
0.0,-1.0, 0.0, 10.26, & 0.0,-1.0, 0.0, 10.26, &
0.0, 0.0, 1.0, 10.26, & 0.0, 0.0, 1.0, 10.26, &
@ -2104,10 +2104,10 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
-1.0, 0.0, 0.0, 10.26, & -1.0, 0.0, 0.0, 10.26, &
0.0, 1.0, 0.0, 10.26, & 0.0, 1.0, 0.0, 10.26, &
0.0,-1.0, 0.0, 10.26 & 0.0,-1.0, 0.0, 10.26 &
],shape(LATTICE_FCCTOBCC_SYSTEMTRANS)) ],shape(FCCTOBCC_SYSTEMTRANS))
integer, dimension(9,LATTICE_fcc_Ntrans), parameter :: & integer, dimension(9,fcc_Ntrans), parameter :: &
LATTICE_FCCTOBCC_BAINVARIANT = reshape( [& FCCTOBCC_BAINVARIANT = reshape( [&
1, 0, 0, 0, 1, 0, 0, 0, 1, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3) 1, 0, 0, 0, 1, 0, 0, 0, 1, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
1, 0, 0, 0, 1, 0, 0, 0, 1, & 1, 0, 0, 0, 1, 0, 0, 0, 1, &
1, 0, 0, 0, 1, 0, 0, 0, 1, & 1, 0, 0, 0, 1, 0, 0, 0, 1, &
@ -2120,10 +2120,10 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
0, 0, 1, 1, 0, 0, 0, 1, 0, & 0, 0, 1, 1, 0, 0, 0, 1, 0, &
0, 0, 1, 1, 0, 0, 0, 1, 0, & 0, 0, 1, 1, 0, 0, 0, 1, 0, &
0, 0, 1, 1, 0, 0, 0, 1, 0 & 0, 0, 1, 1, 0, 0, 0, 1, 0 &
],shape(LATTICE_FCCTOBCC_BAINVARIANT)) ],shape(FCCTOBCC_BAINVARIANT))
real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter :: & real(pReal), dimension(4,fcc_Ntrans), parameter :: &
LATTICE_FCCTOBCC_BAINROT = reshape([& FCCTOBCC_BAINROT = reshape([&
1.0, 0.0, 0.0, 45.0, & ! Rotate fcc austensite to bain variant 1.0, 0.0, 0.0, 45.0, & ! Rotate fcc 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, & 1.0, 0.0, 0.0, 45.0, &
@ -2136,15 +2136,15 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
0.0, 0.0, 1.0, 45.0, & 0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0, & 0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0 & 0.0, 0.0, 1.0, 45.0 &
],shape(LATTICE_FCCTOBCC_BAINROT)) ],shape(FCCTOBCC_BAINROT))
if (a_bcc > 0.0_pReal .and. a_fcc > 0.0_pReal .and. dEq0(cOverA)) then ! fcc -> bcc transformation if (a_bcc > 0.0_pReal .and. a_fcc > 0.0_pReal .and. dEq0(cOverA)) then ! fcc -> bcc transformation
do i = 1,sum(Ntrans) do i = 1,sum(Ntrans)
call R%fromAxisAngle(LATTICE_FCCTOBCC_SYSTEMTRANS(:,i),degrees=.true.,P=1) call R%fromAxisAngle(FCCTOBCC_SYSTEMTRANS(:,i),degrees=.true.,P=1)
call B%fromAxisAngle(LATTICE_FCCTOBCC_BAINROT(:,i), degrees=.true.,P=1) call B%fromAxisAngle(FCCTOBCC_BAINROT(:,i), degrees=.true.,P=1)
x = real(LATTICE_FCCTOBCC_BAINVARIANT(1:3,i),pReal) x = real(FCCTOBCC_BAINVARIANT(1:3,i),pReal)
y = real(LATTICE_FCCTOBCC_BAINVARIANT(4:6,i),pReal) y = real(FCCTOBCC_BAINVARIANT(4:6,i),pReal)
z = real(LATTICE_FCCTOBCC_BAINVARIANT(7:9,i),pReal) z = real(FCCTOBCC_BAINVARIANT(7:9,i),pReal)
U = (a_bcc/a_fcc)*math_outer(x,x) & 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(y,y) * sqrt(2.0_pReal) &
@ -2159,8 +2159,8 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
sd(3,3) = cOverA/sqrt(8.0_pReal/3.0_pReal) sd(3,3) = cOverA/sqrt(8.0_pReal/3.0_pReal)
do i = 1,sum(Ntrans) do i = 1,sum(Ntrans)
x = LATTICE_FCCTOHEX_SYSTEMTRANS(1:3,i)/norm2(LATTICE_FCCTOHEX_SYSTEMTRANS(1:3,i)) x = FCCTOHEX_SYSTEMTRANS(1:3,i)/norm2(FCCTOHEX_SYSTEMTRANS(1:3,i))
z = LATTICE_FCCTOHEX_SYSTEMTRANS(4:6,i)/norm2(LATTICE_FCCTOHEX_SYSTEMTRANS(4:6,i)) z = FCCTOHEX_SYSTEMTRANS(4:6,i)/norm2(FCCTOHEX_SYSTEMTRANS(4:6,i))
y = -math_cross(x,z) y = -math_cross(x,z)
Q(1:3,1,i) = x Q(1:3,1,i) = x
Q(1:3,2,i) = y Q(1:3,2,i) = y