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DAMASK_EICMD
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not needed any more

This commit is contained in:
Martin Diehl 2019-02-17 12:16:12 +01:00
parent cf32e7d1f5
commit 7ad866b90f
2 changed files with 9 additions and 82 deletions
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79
src/lattice.f90
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@ -27,11 +27,9 @@ module lattice
lattice_interactionSlipSlip !< Slip--slip interaction type
real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
lattice_Sslip, & !< Schmid and non-Schmid matrices
lattice_Scleavage !< Schmid matrices for cleavage systems
real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
lattice_Sslip_v, & !< Mandel notation of lattice_Sslip
lattice_Scleavage_v !< Mandel notation of lattice_Scleavege
real(pReal), allocatable, dimension(:,:,:), protected, public :: &
@ -39,8 +37,6 @@ module lattice
lattice_st, & !< sd x sn
lattice_sd !< slip direction of slip system
integer(pInt), allocatable, dimension(:), protected, public :: &
lattice_NnonSchmid !< total # of non-Schmid contributions for each structure
! END DEPRECATED
@ -726,14 +722,8 @@ contains
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_error, &
IO_timeStamp
IO_error
use config, only: &
config_phase
@ -748,8 +738,6 @@ subroutine lattice_init
write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
Nphases = size(config_phase)
@ -769,9 +757,6 @@ subroutine lattice_init
allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal)
allocate(lattice_NnonSchmid(Nphases), source=0_pInt)
allocate(lattice_Sslip(3,3,1+2*lattice_maxNnonSchmid,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_Sslip_v(6,1+2*lattice_maxNnonSchmid,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_NslipSystem(lattice_maxNslipFamily,Nphases),source=0_pInt)
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
@ -863,34 +848,22 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
use prec, only: &
tol_math_check
use math, only: &
math_crossproduct, &
math_tensorproduct33, &
math_mul33x33, &
math_mul33x3, &
math_trace33, &
math_symmetric33, &
math_sym33to6, &
math_sym3333to66, &
math_Voigt66to3333, &
math_axisAngleToR, &
INRAD, &
MATH_I3
math_crossproduct
use IO, only: &
IO_error, &
IO_warning
IO_error
implicit none
integer(pInt), intent(in) :: myPhase
real(pReal), intent(in) :: &
CoverA
real(pReal), dimension(3) :: &
sdU, snU, &
np, nn
real(pReal), dimension(3,lattice_maxNslip) :: &
sd, sn
real(pReal), dimension(3,3,2,lattice_maxNnonSchmid,lattice_maxNslip) :: &
sns
integer(pInt) :: &
j, i, &
myNslip, myNcleavage
@ -951,34 +924,11 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
myNcleavage = lattice_bcc_Ncleavage
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera)
do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:3,i) = lattice_bcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_bcc_systemSlip(4:6,i)
sdU = sd(1:3,i) / norm2(sd(1:3,i))
snU = sn(1:3,i) / norm2(sn(1:3,i))
! "np" and "nn" according to Gröger_etal2008, Acta Materialia 56 (2008) 5412–5425, table 1 (corresponds to their "n1" for positive and negative slip direction respectively)
np = math_mul33x3(math_axisAngleToR(sdU,60.0_pReal*INRAD), snU)
nn = math_mul33x3(math_axisAngleToR(-sdU,60.0_pReal*INRAD), snU)
! Schmid matrices with non-Schmid contributions according to Koester_etal2012, Acta Materialia 60 (2012) 3894–3901, eq. (17) ("n1" is replaced by either "np" or "nn" according to either positive or negative slip direction)
sns(1:3,1:3,1,1,i) = math_tensorproduct33(sdU, np)
sns(1:3,1:3,2,1,i) = math_tensorproduct33(-sdU, nn)
sns(1:3,1:3,1,2,i) = math_tensorproduct33(math_crossproduct(snU, sdU), snU)
sns(1:3,1:3,2,2,i) = math_tensorproduct33(math_crossproduct(snU, -sdU), snU)
sns(1:3,1:3,1,3,i) = math_tensorproduct33(math_crossproduct(np, sdU), np)
sns(1:3,1:3,2,3,i) = math_tensorproduct33(math_crossproduct(nn, -sdU), nn)
sns(1:3,1:3,1,4,i) = math_tensorproduct33(snU, snU)
sns(1:3,1:3,2,4,i) = math_tensorproduct33(snU, snU)
sns(1:3,1:3,1,5,i) = math_tensorproduct33(math_crossproduct(snU, sdU), math_crossproduct(snU, sdU))
sns(1:3,1:3,2,5,i) = math_tensorproduct33(math_crossproduct(snU, -sdU), math_crossproduct(snU, -sdU))
sns(1:3,1:3,1,6,i) = math_tensorproduct33(sdU, sdU)
sns(1:3,1:3,2,6,i) = math_tensorproduct33(-sdU, -sdU)
enddo
!--------------------------------------------------------------------------------------------------
! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
@ -1014,8 +964,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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
sdU = sd(1:3,i) / norm2(sd(1:3,i))
snU = sn(1:3,i) / norm2(sn(1:3,i))
enddo
!--------------------------------------------------------------------------------------------------
@ -1046,18 +994,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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_crossproduct(lattice_sd(1:3,i,myPhase), &
lattice_sn(1:3,i,myPhase))
lattice_Sslip(1:3,1:3,1,i,myPhase) = math_tensorproduct33(lattice_sd(1:3,i,myPhase), &
lattice_sn(1:3,i,myPhase)) ! calculate Schmid matrix d \otimes n
do j = 1_pInt,lattice_NnonSchmid(myPhase)
lattice_Sslip(1:3,1:3,2*j ,i,myPhase) = sns(1:3,1:3,1,j,i)
lattice_Sslip(1:3,1:3,2*j+1,i,myPhase) = sns(1:3,1:3,2,j,i)
enddo
do j = 1_pInt,1_pInt+2_pInt*lattice_NnonSchmid(myPhase)
lattice_Sslip_v(1:6,j,i,myPhase) = &
math_sym33to6(math_symmetric33(lattice_Sslip(1:3,1:3,j,i,myPhase)))
enddo
lattice_st(1:3,i,myPhase) = math_crossproduct(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase))
enddo
do i = 1_pInt,myNcleavage ! store slip system vectors and Schmid matrix for my structure
@ -1462,8 +1399,8 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
INRAD, &
MATH_I3, &
math_axisAngleToR, &
math_Mandel3333to66, &
math_Mandel66to3333, &
math_sym3333to66, &
math_66toSym3333, &
math_rotate_forward3333, &
math_mul33x33, &
math_tensorproduct33, &
@ -1514,11 +1451,11 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
if (abs(C_target_unrotated66(i,i))<tol_math_check) &
call IO_error(135_pInt,el=i,ext_msg='matrix diagonal "el"ement in transformation')
enddo
C_target_unrotated = math_Mandel66to3333(C_target_unrotated66)
C_target_unrotated = math_66toSym3333(C_target_unrotated66)
call buildTransformationSystem(Q,S,Ntrans,CoverA_trans,a_fcc,a_bcc)
do i = 1, sum(Ntrans)
lattice_C66_trans(1:6,1:6,i) = math_Mandel3333to66(math_rotate_forward3333(C_target_unrotated,Q(1:3,1:3,i)))
lattice_C66_trans(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(C_target_unrotated,Q(1:3,1:3,i)))
enddo
end function lattice_C66_trans

12
src/math.f90
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@ -98,23 +98,13 @@ module math
module procedure math_99to3333
end interface math_Plain99to3333
interface math_Mandel3333to66
module procedure math_sym3333to66
end interface math_Mandel3333to66
interface math_Mandel66to3333
module procedure math_66toSym3333
end interface math_Mandel66to3333
public :: &
math_Plain33to9, &
math_Plain9to33, &
math_Mandel33to6, &
math_Mandel6to33, &
math_Plain3333to99, &
math_Plain99to3333, &
math_Mandel3333to66, &
math_Mandel66to3333
math_Plain99to3333
!---------------------------------------------------------------------------------------------------
public :: &