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