functionality to calculate SchmidMatrices
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Martin Diehl
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d3db0d816c
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105
src/lattice.f90
105
src/lattice.f90
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@ -2163,6 +2163,46 @@ function lattice_interactionTransTrans2(Ntrans,interactionValues,structure,targe
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end function lattice_interactionTransTrans2
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end function lattice_interactionTransTrans2
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculates Schmid matrix for active slip systems
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!--------------------------------------------------------------------------------------------------
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function lattice_SchmidSlip(Nslip,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) :: Nslip !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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real(pReal), dimension(3,3,sum(Nslip)) :: lattice_SchmidSlip
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real(pReal), intent(in), optional :: &
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cOverA
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real(pReal), dimension(3,3,sum(Nslip)) :: 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_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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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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case('bct')
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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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end select
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do i = 1, sum(Nslip)
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lattice_SchmidSlip(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_SchmidSlip
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief Populates reduced interaction matrix
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!> @brief Populates reduced interaction matrix
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -2197,4 +2237,69 @@ pure function buildInteraction(activeA,activeB,maxA,maxB,values,matrix)
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end function buildInteraction
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end function buildInteraction
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!--------------------------------------------------------------------------------------------------
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!> @brief build a local coordinate system in a slip, twin, trans, cleavage system
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!--------------------------------------------------------------------------------------------------
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pure function buildCoordinateSystem(active,system,structure,cOverA)
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use math, only: &
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math_crossproduct
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implicit none
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integer(pInt), dimension(:), intent(in) :: &
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active
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integer(pInt), dimension(:,:), intent(in) :: &
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system
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character(len=*), intent(in) :: &
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structure !< lattice structure
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real(pReal), intent(in), optional :: &
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cOverA
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real(pReal), dimension(3,3,sum(active)) :: &
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buildCoordinateSystem
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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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ir = 0_pInt
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myFamilies: do mf = 1_pInt,size(active,1)
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mySystems: do ms = 1_pInt,active(mf)
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ir = ir + 1_pInt
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ig = sum(system(:,1:mf-1))+ms
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select case(trim(structure))
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case ('fcc','bcc')
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direction = real(system(1:3,ig),pReal)
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normal = real(system(4:6,ig),pReal)
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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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! 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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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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end select
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buildCoordinateSystem(1:3,1,ir) = direction/norm2(direction) ! make unit vector
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buildCoordinateSystem(1:3,2,ir) = normal/norm2(normal) ! make unit vector
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buildCoordinateSystem(1:3,3,ir) = math_crossproduct(direction,normal)
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enddo mySystems
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enddo myFamilies
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end function buildCoordinateSystem
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end module lattice
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end module lattice
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