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

public variables not needed anymore

This commit is contained in:
Martin Diehl 2019-03-09 13:03:33 +01:00
parent 1bf31598c5
commit c74f453486
1 changed files with 10 additions and 75 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

83
src/lattice.f90
View File

@ -16,27 +16,20 @@ module lattice
! BEGIN DEPRECATED ! BEGIN DEPRECATED
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
integer(pInt), allocatable, dimension(:,:), protected, public :: & integer(pInt), allocatable, dimension(:,:), protected, public :: &
lattice_NslipSystem, & !< total # of slip systems in each family
lattice_NcleavageSystem !< total # of transformation systems in each family lattice_NcleavageSystem !< total # of transformation systems in each family
real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: & real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
lattice_Scleavage !< Schmid matrices for cleavage systems lattice_Scleavage !< Schmid matrices for cleavage systems
real(pReal), allocatable, dimension(:,:,:), protected, public :: &
lattice_sn, & !< normal direction of slip system
lattice_st, & !< sd x sn
lattice_sd !< slip direction of slip system
! END DEPRECATED ! END DEPRECATED
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! face centered cubic ! face centered cubic
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: & integer(pInt), dimension(2), parameter, private :: &
LATTICE_FCC_NSLIPSYSTEM = int([12, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc LATTICE_FCC_NSLIPSYSTEM = int([12, 6],pInt) !< # of slip systems per family for fcc
integer(pInt), dimension(1), parameter, private :: & integer(pInt), dimension(1), parameter, private :: &
LATTICE_FCC_NTWINSYSTEM = int([12],pInt) !< # of twin systems per family for fcc LATTICE_FCC_NTWINSYSTEM = int([12],pInt) !< # of twin systems per family for fcc
@ -131,8 +124,8 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! body centered cubic ! body centered cubic
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: & integer(pInt), dimension(2), parameter, private :: &
LATTICE_BCC_NSLIPSYSTEM = int([ 12, 12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], pInt) !< # of slip systems per family for bcc LATTICE_BCC_NSLIPSYSTEM = int([12, 12], pInt) !< # of slip systems per family for bcc
integer(pInt), dimension(1), parameter, private :: & integer(pInt), dimension(1), parameter, private :: &
LATTICE_BCC_NTWINSYSTEM = int([12], pInt) !< # of twin systems per family for bcc LATTICE_BCC_NTWINSYSTEM = int([12], pInt) !< # of twin systems per family for bcc
@ -216,8 +209,8 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hexagonal ! hexagonal
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: & integer(pInt), dimension(6), parameter, private :: &
LATTICE_HEX_NSLIPSYSTEM = int([ 3, 3, 3, 6, 12, 6, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for hex LATTICE_HEX_NSLIPSYSTEM = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex
integer(pInt), dimension(4), parameter, private :: & integer(pInt), dimension(4), parameter, private :: &
LATTICE_HEX_NTWINSYSTEM = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex LATTICE_HEX_NTWINSYSTEM = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
@ -331,7 +324,7 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! body centered tetragonal ! body centered tetragonal
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: & integer(pInt), dimension(13), parameter, private :: &
LATTICE_bct_NslipSystem = int([2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ],pInt) !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009 LATTICE_bct_NslipSystem = int([2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ],pInt) !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
@ -458,8 +451,6 @@ module lattice
! BEGIN DEPRECATED ! BEGIN DEPRECATED
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
LATTICE_maxNslip = max(LATTICE_FCC_NSLIP,LATTICE_BCC_NSLIP,LATTICE_HEX_NSLIP, &
LATTICE_bct_Nslip), & !< max # of slip systems over lattice structures
LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, & LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
LATTICE_hex_Ncleavage, & LATTICE_hex_Ncleavage, &
LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage) !< max # of cleavage systems over lattice structures LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage) !< max # of cleavage systems over lattice structures
@ -581,18 +572,12 @@ subroutine lattice_init
allocate(lattice_mu(Nphases), source=0.0_pReal) allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal) allocate(lattice_nu(Nphases), source=0.0_pReal)
allocate(lattice_NslipSystem(lattice_maxNslipFamily,Nphases),source=0_pInt)
allocate(lattice_Scleavage(3,3,3,lattice_maxNslip,Nphases),source=0.0_pReal) allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal)
allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0_pInt) allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0_pInt)
allocate(CoverA(Nphases),source=0.0_pReal) allocate(CoverA(Nphases),source=0.0_pReal)
allocate(lattice_sd(3,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_st(3,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_sn(3,lattice_maxNslip,Nphases),source=0.0_pReal)
do p = 1, size(config_phase) do p = 1, size(config_phase)
tag = config_phase(p)%getString('lattice_structure') tag = config_phase(p)%getString('lattice_structure')
select case(trim(tag)) select case(trim(tag))
@ -682,11 +667,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
CoverA CoverA
real(pReal), dimension(3,lattice_maxNslip) :: &
sd, sn
integer(pInt) :: & integer(pInt) :: &
i, & i, &
myNslip, myNcleavage myNcleavage
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),& lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
lattice_C66(1:6,1:6,myPhase)) lattice_C66(1:6,1:6,myPhase))
@ -715,77 +698,36 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
lattice_thermalConductivity33 (1:3,1:3,myPhase)) lattice_thermalConductivity33 (1:3,1:3,myPhase))
lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),& lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_DamageDiffusion33 (1:3,1:3,myPhase)) lattice_DamageDiffusion33 (1:3,1:3,myPhase))
myNslip = 0_pInt
myNcleavage = 0_pInt myNcleavage = 0_pInt
select case(lattice_structure(myPhase)) select case(lattice_structure(myPhase))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! fcc ! fcc
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
myNslip = LATTICE_FCC_NSLIP
myNcleavage = lattice_fcc_Ncleavage myNcleavage = lattice_fcc_Ncleavage
lattice_NslipSystem (1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = & lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavageSystem,'fcc',covera) lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavageSystem,'fcc',covera)
do i = 1_pInt,myNslip
sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! bcc ! bcc
case (LATTICE_bcc_ID) case (LATTICE_bcc_ID)
myNslip = LATTICE_BCC_NSLIP
myNcleavage = lattice_bcc_Ncleavage myNcleavage = lattice_bcc_Ncleavage
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = & lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera) lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera)
do i = 1_pInt,myNslip
sd(1:3,i) = lattice_bcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_bcc_systemSlip(4:6,i)
enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices) ! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
case (LATTICE_hex_ID) case (LATTICE_hex_ID)
myNslip = LATTICE_HEX_NSLIP
myNcleavage = lattice_hex_Ncleavage myNcleavage = lattice_hex_Ncleavage
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = LATTICE_HEX_NSLIPSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = & lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_hex_ncleavagesystem,'hex',covera) lattice_SchmidMatrix_cleavage(lattice_hex_ncleavagesystem,'hex',covera)
do i = 1_pInt,myNslip ! assign slip system vectors
sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*&
0.5_pReal*sqrt(3.0_pReal)
sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
enddo
!--------------------------------------------------------------------------------------------------
! bct
case (LATTICE_bct_ID)
myNslip = lattice_bct_Nslip
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bct_NslipSystem
do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:2,i) = lattice_bct_systemSlip(1:2,i)
sd(3,i) = lattice_bct_systemSlip(3,i)*CoverA
sn(1:2,i) = lattice_bct_systemSlip(4:5,i)
sn(3,i) = lattice_bct_systemSlip(6,i)/CoverA
enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! orthorhombic (no crystal plasticity) ! orthorhombic (no crystal plasticity)
case (LATTICE_ort_ID) case (LATTICE_ort_ID)
@ -810,13 +752,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
call IO_error(130_pInt,ext_msg='lattice_initializeStructure') call IO_error(130_pInt,ext_msg='lattice_initializeStructure')
end select end select
do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
lattice_sd(1:3,i,myPhase) = sd(1:3,i)/norm2(sd(1:3,i)) ! make unit vector
lattice_sn(1:3,i,myPhase) = sn(1:3,i)/norm2(sn(1:3,i)) ! make unit vector
lattice_st(1:3,i,myPhase) = math_cross(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase))
enddo
end subroutine lattice_initializeStructure end subroutine lattice_initializeStructure