phase_mechanical_elastic should store data related to elasticity
This commit is contained in:
Martin Diehl
parent
fc5237fa80
commit
8feeda6f05
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@ -365,12 +365,6 @@ module lattice
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1, 1, 1, 1,-2, 1 &
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],pReal),shape(BCT_SYSTEMSLIP)) !< bct slip systems for c/a = 0.5456 (Sn), sorted by Bieler 2009 (https://doi.org/10.1007/s11664-009-0909-x)
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! SHOULD NOT BE PART OF LATTICE BEGIN
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real(pReal), dimension(:), allocatable, public, protected :: &
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lattice_mu, lattice_nu
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real(pReal), dimension(:,:,:), allocatable, public, protected :: &
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lattice_C66
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! SHOULD NOT BE PART OF LATTICE END
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interface lattice_forestProjection_edge
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module procedure slipProjection_transverse
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@ -384,7 +378,8 @@ module lattice
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lattice_init, &
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lattice_equivalent_nu, &
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lattice_equivalent_mu, &
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lattice_applyLatticeSymmetry33, &
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lattice_symmetrize_33, &
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lattice_symmetrize_C66, &
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lattice_SchmidMatrix_slip, &
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lattice_SchmidMatrix_twin, &
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lattice_SchmidMatrix_trans, &
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@ -414,53 +409,9 @@ contains
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!--------------------------------------------------------------------------------------------------
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subroutine lattice_init
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integer :: Nphases, ph,i
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class(tNode), pointer :: &
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phases, &
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phase, &
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mech, &
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elasticity
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print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
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! SHOULD NOT BE PART OF LATTICE BEGIN
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phases => config_material%get('phase')
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Nphases = phases%length
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allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
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allocate(lattice_mu, lattice_nu,&
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source=[(0.0_pReal,i=1,Nphases)])
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do ph = 1, phases%length
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phase => phases%get(ph)
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mech => phase%get('mechanical')
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elasticity => mech%get('elastic')
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lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11')
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lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12')
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lattice_C66(4,4,ph) = elasticity%get_asFloat('C_44')
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lattice_C66(1,3,ph) = elasticity%get_asFloat('C_13',defaultVal=0.0_pReal)
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lattice_C66(2,3,ph) = elasticity%get_asFloat('C_23',defaultVal=0.0_pReal)
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lattice_C66(3,3,ph) = elasticity%get_asFloat('C_33',defaultVal=0.0_pReal)
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lattice_C66(6,6,ph) = elasticity%get_asFloat('C_66',defaultVal=0.0_pReal)
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lattice_C66(1:6,1:6,ph) = applyLatticeSymmetryC66(lattice_C66(1:6,1:6,ph),phase%get_asString('lattice'))
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lattice_nu(ph) = lattice_equivalent_nu(lattice_C66(1:6,1:6,ph),'voigt')
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lattice_mu(ph) = lattice_equivalent_mu(lattice_C66(1:6,1:6,ph),'voigt')
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lattice_C66(1:6,1:6,ph) = math_sym3333to66(math_Voigt66to3333(lattice_C66(1:6,1:6,ph))) ! Literature data is in Voigt notation
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do i = 1, 6
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if (abs(lattice_C66(i,i,ph))<tol_math_check) &
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call IO_error(135,el=i,ip=ph,ext_msg='matrix diagonal "el"ement of phase "ip"')
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enddo
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! SHOULD NOT BE PART OF LATTICE END
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call selfTest
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enddo
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call selfTest
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end subroutine lattice_init
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@ -611,7 +562,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
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C_target_unrotated66(1,3) = C_bar66(1,3)
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C_target_unrotated66(3,3) = C_bar66(3,3)
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C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2.0_pReal/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2)))
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C_target_unrotated66 = applyLatticeSymmetryC66(C_target_unrotated66,'hP')
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C_target_unrotated66 = lattice_symmetrize_C66(C_target_unrotated66,'hP')
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elseif (structure_target == 'cI') then
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if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
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call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target))
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@ -1628,17 +1579,17 @@ end function lattice_labels_slip
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!--------------------------------------------------------------------------------------------------
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!> @brief Return 3x3 tensor with symmetry according to given crystal structure
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!--------------------------------------------------------------------------------------------------
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pure function lattice_applyLatticeSymmetry33(T,structure) result(T_sym)
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pure function lattice_symmetrize_33(T,lattice) result(T_sym)
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real(pReal), dimension(3,3) :: T_sym
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real(pReal), dimension(3,3), intent(in) :: T
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character(len=*), intent(in) :: structure
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character(len=2), intent(in) :: lattice
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T_sym = 0.0_pReal
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select case(structure)
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select case(lattice)
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case('cF','cI')
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T_sym(1,1) = T(1,1)
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T_sym(2,2) = T(1,1)
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@ -1649,26 +1600,26 @@ pure function lattice_applyLatticeSymmetry33(T,structure) result(T_sym)
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T_sym(3,3) = T(3,3)
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end select
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end function lattice_applyLatticeSymmetry33
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end function lattice_symmetrize_33
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!--------------------------------------------------------------------------------------------------
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!> @brief Return stiffness matrix in 6x6 notation with symmetry according to given crystal structure
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!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
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!--------------------------------------------------------------------------------------------------
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pure function applyLatticeSymmetryC66(C66,structure) result(C66_sym)
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pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
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real(pReal), dimension(6,6) :: C66_sym
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real(pReal), dimension(6,6), intent(in) :: C66
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character(len=*), intent(in) :: structure
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character(len=*), intent(in) :: lattice
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integer :: i,j
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C66_sym = 0.0_pReal
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select case(structure)
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select case(lattice)
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case ('cF','cI')
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C66_sym(1,1) = C66(1,1); C66_sym(2,2) = C66(1,1); C66_sym(3,3) = C66(1,1)
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C66_sym(1,2) = C66(1,2); C66_sym(1,3) = C66(1,2); C66_sym(2,3) = C66(1,2)
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@ -1695,7 +1646,7 @@ pure function applyLatticeSymmetryC66(C66,structure) result(C66_sym)
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enddo
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enddo
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end function applyLatticeSymmetryC66
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end function lattice_symmetrize_C66
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!--------------------------------------------------------------------------------------------------
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@ -2203,10 +2154,10 @@ subroutine selfTest
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do i = 1, 10
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call random_number(C)
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C_cF = applyLatticeSymmetryC66(C,'cI')
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C_cI = applyLatticeSymmetryC66(C,'cF')
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C_hP = applyLatticeSymmetryC66(C,'hP')
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C_tI = applyLatticeSymmetryC66(C,'tI')
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C_cF = lattice_symmetrize_C66(C,'cI')
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C_cI = lattice_symmetrize_C66(C,'cF')
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C_hP = lattice_symmetrize_C66(C,'hP')
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C_tI = lattice_symmetrize_C66(C,'tI')
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if (any(dNeq(C_cI,transpose(C_cF)))) error stop 'SymmetryC66/cI-cF'
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if (any(dNeq(C_cF,transpose(C_cI)))) error stop 'SymmetryC66/cF-cI'
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@ -2226,10 +2177,10 @@ subroutine selfTest
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if (any(dNeq(C(4,4),[C_tI(4,4),C_tI(5,5)]))) error stop 'SymmetryC_44-55/tI'
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call random_number(T)
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T_cF = lattice_applyLatticeSymmetry33(T,'cI')
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T_cI = lattice_applyLatticeSymmetry33(T,'cF')
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T_hP = lattice_applyLatticeSymmetry33(T,'hP')
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T_tI = lattice_applyLatticeSymmetry33(T,'tI')
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T_cF = lattice_symmetrize_33(T,'cI')
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T_cI = lattice_symmetrize_33(T,'cF')
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T_hP = lattice_symmetrize_33(T,'hP')
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T_tI = lattice_symmetrize_33(T,'tI')
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if (any(dNeq0(T_cF) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/c'
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if (any(dNeq0(T_hP) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/hP'
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@ -2244,7 +2195,7 @@ subroutine selfTest
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call random_number(C)
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C(1,1) = C(1,1) + C(1,2) + 0.1_pReal
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C(4,4) = 0.5_pReal * (C(1,1) - C(1,2))
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C = applyLatticeSymmetryC66(C,'cI')
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C = lattice_symmetrize_C66(C,'cI')
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if(dNeq(C(4,4),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt'
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if(dNeq(C(4,4),lattice_equivalent_mu(C,'reuss'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss'
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@ -107,7 +107,7 @@ module subroutine damage_init
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param(ph)%mu = source%get_asFloat('mu')
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param(ph)%D(1,1) = source%get_asFloat('D_11')
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if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%D(3,3) = source%get_asFloat('D_33')
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param(ph)%D = lattice_applyLatticeSymmetry33(param(ph)%D,phase_lattice(ph))
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param(ph)%D = lattice_symmetrize_33(param(ph)%D,phase_lattice(ph))
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endif
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enddo
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@ -168,6 +168,20 @@ submodule(phase) mechanical
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integer, intent(in) :: ph,en
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end function plastic_dislotwin_homogenizedC
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module function elastic_C66(ph) result(C66)
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real(pReal), dimension(6,6) :: C66
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integer, intent(in) :: ph
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end function elastic_C66
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module function elastic_mu(ph) result(mu)
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real(pReal) :: mu
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integer, intent(in) :: ph
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end function elastic_mu
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module function elastic_nu(ph) result(nu)
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real(pReal) :: nu
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integer, intent(in) :: ph
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end function elastic_nu
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end interface
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type :: tOutput !< new requested output (per phase)
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@ -69,7 +69,7 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
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prm%A(3,3,3) = kinematic_type%get_asFloat('A_33,T^2',defaultVal=0.0_pReal)
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endif
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do i=1, size(prm%A,3)
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prm%A(1:3,1:3,i) = lattice_applyLatticeSymmetry33(prm%A(1:3,1:3,i),phase_lattice(p))
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prm%A(1:3,1:3,i) = lattice_symmetrize_33(prm%A(1:3,1:3,i),phase_lattice(p))
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enddo
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end associate
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endif
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@ -2,7 +2,10 @@ submodule(phase:mechanical) elastic
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type :: tParameters
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real(pReal), dimension(6,6) :: &
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C66 !< Elastic constants in Voig notation
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C66 !< Elastic constants in Voigt notation
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real(pReal) :: &
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mu, &
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nu
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end type tParameters
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type(tParameters), allocatable, dimension(:) :: param
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@ -37,6 +40,7 @@ module subroutine elastic_init(phases)
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if (elastic%get_asString('type') /= 'Hooke') call IO_error(200,ext_msg=elastic%get_asString('type'))
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associate(prm => param(ph))
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prm%C66(1,1) = elastic%get_asFloat('C_11')
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prm%C66(1,2) = elastic%get_asFloat('C_12')
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prm%C66(4,4) = elastic%get_asFloat('C_44')
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@ -46,6 +50,12 @@ module subroutine elastic_init(phases)
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prm%C66(3,3) = elastic%get_asFloat('C_33')
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endif
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if (phase_lattice(ph) == 'tI') prm%C66(6,6) = elastic%get_asFloat('C_66')
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prm%C66 = lattice_symmetrize_C66(prm%C66,phase_lattice(ph))
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prm%nu = lattice_equivalent_nu(prm%C66,'voigt')
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prm%mu = lattice_equivalent_mu(prm%C66,'voigt')
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end associate
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enddo
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@ -104,10 +114,38 @@ module function phase_homogenizedC(ph,en) result(C)
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case (PLASTICITY_DISLOTWIN_ID) plasticType
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C = plastic_dislotwin_homogenizedC(ph,en)
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case default plasticType
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C = lattice_C66(1:6,1:6,ph)
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C = param(ph)%C66
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end select plasticType
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end function phase_homogenizedC
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module function elastic_C66(ph) result(C66)
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real(pReal), dimension(6,6) :: C66
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integer, intent(in) :: ph
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C66 = param(ph)%C66
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end function elastic_C66
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module function elastic_mu(ph) result(mu)
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real(pReal) :: mu
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integer, intent(in) :: ph
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mu = param(ph)%mu
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end function elastic_mu
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module function elastic_nu(ph) result(nu)
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real(pReal) :: nu
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integer, intent(in) :: ph
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nu = param(ph)%mu
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end function elastic_nu
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end submodule elastic
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@ -129,8 +129,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
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#endif
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! This data is read in already in lattice
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prm%mu = lattice_mu(ph)
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prm%mu = elastic_mu(ph)
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!--------------------------------------------------------------------------------------------------
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! slip related parameters
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@ -184,9 +184,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
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#endif
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! This data is read in already in lattice
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prm%mu = lattice_mu(ph)
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prm%nu = lattice_nu(ph)
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prm%C66 = lattice_C66(1:6,1:6,ph)
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prm%mu = elastic_mu(ph)
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prm%nu = elastic_nu(ph)
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prm%C66 = elastic_C66(ph)
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!--------------------------------------------------------------------------------------------------
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! slip related parameters
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@ -481,22 +481,21 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
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real(pReal) :: f_unrotated
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associate(prm => param(ph),&
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stt => state(ph))
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associate(prm => param(ph), stt => state(ph))
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f_unrotated = 1.0_pReal &
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- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
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- sum(stt%f_tr(1:prm%sum_N_tr,en))
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f_unrotated = 1.0_pReal &
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- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
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- sum(stt%f_tr(1:prm%sum_N_tr,en))
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homogenizedC = f_unrotated * prm%C66
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do i=1,prm%sum_N_tw
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homogenizedC = homogenizedC &
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+ stt%f_tw(i,en)*prm%C66_tw(1:6,1:6,i)
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enddo
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do i=1,prm%sum_N_tr
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homogenizedC = homogenizedC &
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+ stt%f_tr(i,en)*prm%C66_tr(1:6,1:6,i)
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enddo
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homogenizedC = f_unrotated * prm%C66
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do i=1,prm%sum_N_tw
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homogenizedC = homogenizedC &
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+ stt%f_tw(i,en)*prm%C66_tw(1:6,1:6,i)
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enddo
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do i=1,prm%sum_N_tr
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homogenizedC = homogenizedC &
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+ stt%f_tr(i,en)*prm%C66_tr(1:6,1:6,i)
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enddo
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end associate
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@ -240,9 +240,8 @@ module function plastic_nonlocal_init() result(myPlasticity)
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prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
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! This data is read in already in lattice
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prm%mu = lattice_mu(ph)
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prm%nu = lattice_nu(ph)
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prm%mu = elastic_mu(ph)
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prm%nu = elastic_nu(ph)
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ini%N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
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prm%sum_N_sl = sum(abs(ini%N_sl))
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@ -103,7 +103,7 @@ module subroutine thermal_init(phases)
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param(ph)%C_p = thermal%get_asFloat('C_p',defaultVal=0.0_pReal) ! ToDo: make mandatory?
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param(ph)%K(1,1) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal) ! ToDo: make mandatory?
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param(ph)%K(3,3) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal) ! ToDo: depends on symmtery
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param(ph)%K = lattice_applyLatticeSymmetry33(param(ph)%K,phase_lattice(ph))
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param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph))
|
||||
|
||||
sources => thermal%get('source',defaultVal=emptyList)
|
||||
thermal_Nsources(ph) = sources%length
|
||||
|
|
|
|||
Loading…
Reference in New Issue