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DAMASK_EICMD
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This commit is contained in:
Martin Diehl 2018-09-08 19:32:26 +02:00
parent b96e01c128
commit 3d49c70dbc
1 changed files with 64 additions and 24 deletions
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src/lattice.f90
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@ -19,6 +19,7 @@ module lattice
LATTICE_maxNtransFamily = 1_pInt, & !< max # of transformation system families over lattice structures LATTICE_maxNtransFamily = 1_pInt, & !< max # of transformation 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
! BEGIN DEPRECATED
integer(pInt), allocatable, dimension(:,:), protected, public :: & integer(pInt), allocatable, dimension(:,:), protected, public :: &
lattice_NslipSystem, & !< total # of slip systems in each family lattice_NslipSystem, & !< total # of slip systems in each family
lattice_NtwinSystem, & !< total # of twin systems in each family lattice_NtwinSystem, & !< total # of twin systems in each family
@ -65,6 +66,8 @@ module lattice
lattice_tn, & lattice_tn, &
lattice_td, & lattice_td, &
lattice_tt lattice_tt
! END DEPRECATED
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! face centered cubic ! face centered cubic
@ -2226,15 +2229,15 @@ function lattice_SchmidSlip(Nslip,structure,cOverA)
select case(structure) select case(structure)
case('fcc') case('fcc')
coordinateSystem = buildCoordinateSystem(Nslip,int(lattice_fcc_systemSlip,pInt),structure) coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_FCC_SYSTEMSLIP,pInt),structure)
case('bcc') case('bcc')
coordinateSystem = buildCoordinateSystem(Nslip,int(lattice_bcc_systemSlip,pInt),structure) coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_BCC_SYSTEMSLIP,pInt),structure)
case('hex','hexagonal') !ToDo: "No alias policy": long or short? case('hex','hexagonal') !ToDo: "No alias policy": long or short?
coordinateSystem = buildCoordinateSystem(Nslip,int(lattice_hex_systemSlip,pInt),structure,cOverA) coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_HEX_SYSTEMSLIP,pInt),'hex',cOverA)
case('bct') case('bct')
coordinateSystem = buildCoordinateSystem(Nslip,int(lattice_bct_systemslip,pInt),structure,cOverA) coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_BCT_SYSTEMSLIP,pInt),structure,cOverA)
case default case default
write(6,*) 'mist' call IO_error(130_pInt,ext_msg=trim(structure)//' (lattice_SchmidSlip)')
end select end select
do i = 1, sum(Nslip) do i = 1, sum(Nslip)
@ -2245,21 +2248,57 @@ function lattice_SchmidSlip(Nslip,structure,cOverA)
end function lattice_SchmidSlip end function lattice_SchmidSlip
!--------------------------------------------------------------------------------------------------
!> @brief Calculates Schmid matrix for active twin systems
!--------------------------------------------------------------------------------------------------
function lattice_SchmidTwin(Ntwin,structure,cOverA)
use IO, only: &
IO_error
use math, only: &
math_tensorproduct33
implicit none
integer(pInt), dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(3,3,sum(Ntwin)) :: lattice_SchmidTwin
real(pReal), intent(in), optional :: &
cOverA
real(pReal), dimension(3,3,sum(Ntwin)) :: coordinateSystem
integer(pInt) :: i
select case(structure)
case('fcc')
coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_FCC_SYSTEMTWIN,pInt),structure)
case('bcc')
coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_BCC_SYSTEMTWIN,pInt),structure)
case('hex','hexagonal') !ToDo: "No alias policy": long or short?
coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_HEX_SYSTEMTWIN,pInt),'hex',cOverA)
case default
call IO_error(130_pInt,ext_msg=trim(structure)//' (lattice_SchmidTwin)')
end select
do i = 1, sum(Nslip)
lattice_SchmidTwin(1:3,1:3,i) = &
math_tensorproduct33(coordinateSystem(1:3,1,i),coordinateSystem(1:3,2,i))
enddo
end function lattice_SchmidTwin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Populates reduced interaction matrix !> @brief Populates reduced interaction matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function buildInteraction(activeA,activeB,maxA,maxB,values,matrix) pure function buildInteraction(activeA,activeB,maxA,maxB,values,matrix)
use IO, only: &
IO_error
implicit none implicit none
integer(pInt), dimension(:), intent(in) :: & integer(pInt), dimension(:), intent(in) :: &
activeA, & activeA, & !< number of active systems as specified in material.config
activeB, & activeB, & !< number of active systems as specified in material.config
maxA, & maxA, & !< number of maximum available systems
maxB maxB !< number of maximum available systems
real(pReal), dimension(:), intent(in) :: values !< interaction values real(pReal), dimension(:), intent(in) :: values !< interaction values
integer(pInt), dimension(:,:), intent(in) :: matrix integer(pInt), dimension(:,:), intent(in) :: matrix !< full interaction matrix
real(pReal), dimension(sum(activeA),sum(activeB)) :: buildInteraction real(pReal), dimension(sum(activeA),sum(activeB)) :: buildInteraction
integer(pInt) :: & integer(pInt) :: &
@ -2301,7 +2340,11 @@ pure function buildCoordinateSystem(active,system,structure,cOverA)
real(pReal), dimension(3) :: & real(pReal), dimension(3) :: &
direction, normal direction, normal
integer(pInt) :: ir, ig, mf, ms integer(pInt) :: &
ir, & !< index in reduced matrix
ig, & !< index in full matrix
mf, & !< index of my family
ms !< index of my system in current family
ir = 0_pInt ir = 0_pInt
myFamilies: do mf = 1_pInt,size(active,1) myFamilies: do mf = 1_pInt,size(active,1)
@ -2317,21 +2360,18 @@ pure function buildCoordinateSystem(active,system,structure,cOverA)
case ('hex') case ('hex')
! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]) ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)])
direction(1) = real(system(1,ig),pReal)*1.5_pReal direction = [ real(system(1,ig),pReal)*1.5_pReal, &
direction(2) = (real(system(1,ig),pReal)+2.0_pReal*real(system(2,ig),pReal))*0.5_pReal*sqrt(3.0_pReal) (real(system(1,ig),pReal)+2.0_pReal*real(system(2,ig),pReal))*sqrt(0.75_pReal), &
direction(3) = real(system(4,ig),pReal)*CoverA real(system(4,ig),pReal)*CoverA ]
! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a)) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
normal(1) = real(system(5,ig),pReal) normal = [ real(system(5,ig),pReal), &
normal(2) = (real(system(5,ig),pReal)+2.0_pReal*real(system(6,ig),pReal))/ sqrt(3.0_pReal) (real(system(5,ig),pReal)+2.0_pReal*real(system(6,ig),pReal))/ sqrt(3.0_pReal), &
normal(3) = real(system(8,ig),pReal)/CoverA real(system(8,ig),pReal)/CoverA ]
case ('bct') case ('bct')
direction(1:2) = real(system(1:2,ig),pReal) direction = [real(system(1:2,ig),pReal),real(system(3,ig),pReal)*CoverA]
direction(3) = real(system(3,ig),pReal)*CoverA normal = [real(system(4:5,ig),pReal),real(system(6,ig),pReal)/CoverA]
normal(1:2) = real(system(4:5,ig),pReal)
normal(3) = real(system(6,ig),pReal)/CoverA
end select end select