phase_mechanical_elastic should store data related to elasticity

This commit is contained in:
Martin Diehl 2021-07-21 16:23:21 +02:00
parent fc5237fa80
commit 8feeda6f05
9 changed files with 97 additions and 97 deletions

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@ -365,12 +365,6 @@ module lattice
1, 1, 1, 1,-2, 1 & 1, 1, 1, 1,-2, 1 &
],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) ],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)
! SHOULD NOT BE PART OF LATTICE BEGIN
real(pReal), dimension(:), allocatable, public, protected :: &
lattice_mu, lattice_nu
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66
! SHOULD NOT BE PART OF LATTICE END
interface lattice_forestProjection_edge interface lattice_forestProjection_edge
module procedure slipProjection_transverse module procedure slipProjection_transverse
@ -384,7 +378,8 @@ module lattice
lattice_init, & lattice_init, &
lattice_equivalent_nu, & lattice_equivalent_nu, &
lattice_equivalent_mu, & lattice_equivalent_mu, &
lattice_applyLatticeSymmetry33, & lattice_symmetrize_33, &
lattice_symmetrize_C66, &
lattice_SchmidMatrix_slip, & lattice_SchmidMatrix_slip, &
lattice_SchmidMatrix_twin, & lattice_SchmidMatrix_twin, &
lattice_SchmidMatrix_trans, & lattice_SchmidMatrix_trans, &
@ -414,54 +409,10 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_init subroutine lattice_init
integer :: Nphases, ph,i
class(tNode), pointer :: &
phases, &
phase, &
mech, &
elasticity
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT) print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
! SHOULD NOT BE PART OF LATTICE BEGIN
phases => config_material%get('phase')
Nphases = phases%length
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_mu, lattice_nu,&
source=[(0.0_pReal,i=1,Nphases)])
do ph = 1, phases%length
phase => phases%get(ph)
mech => phase%get('mechanical')
elasticity => mech%get('elastic')
lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11')
lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12')
lattice_C66(4,4,ph) = elasticity%get_asFloat('C_44')
lattice_C66(1,3,ph) = elasticity%get_asFloat('C_13',defaultVal=0.0_pReal)
lattice_C66(2,3,ph) = elasticity%get_asFloat('C_23',defaultVal=0.0_pReal)
lattice_C66(3,3,ph) = elasticity%get_asFloat('C_33',defaultVal=0.0_pReal)
lattice_C66(6,6,ph) = elasticity%get_asFloat('C_66',defaultVal=0.0_pReal)
lattice_C66(1:6,1:6,ph) = applyLatticeSymmetryC66(lattice_C66(1:6,1:6,ph),phase%get_asString('lattice'))
lattice_nu(ph) = lattice_equivalent_nu(lattice_C66(1:6,1:6,ph),'voigt')
lattice_mu(ph) = lattice_equivalent_mu(lattice_C66(1:6,1:6,ph),'voigt')
lattice_C66(1:6,1:6,ph) = math_sym3333to66(math_Voigt66to3333(lattice_C66(1:6,1:6,ph))) ! Literature data is in Voigt notation
do i = 1, 6
if (abs(lattice_C66(i,i,ph))<tol_math_check) &
call IO_error(135,el=i,ip=ph,ext_msg='matrix diagonal "el"ement of phase "ip"')
enddo
! SHOULD NOT BE PART OF LATTICE END
call selfTest call selfTest
enddo
end subroutine lattice_init end subroutine lattice_init
@ -611,7 +562,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
C_target_unrotated66(1,3) = C_bar66(1,3) C_target_unrotated66(1,3) = C_bar66(1,3)
C_target_unrotated66(3,3) = C_bar66(3,3) C_target_unrotated66(3,3) = C_bar66(3,3)
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))) 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)))
C_target_unrotated66 = applyLatticeSymmetryC66(C_target_unrotated66,'hP') C_target_unrotated66 = lattice_symmetrize_C66(C_target_unrotated66,'hP')
elseif (structure_target == 'cI') then elseif (structure_target == 'cI') then
if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) & if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target)) call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target))
@ -1628,17 +1579,17 @@ end function lattice_labels_slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Return 3x3 tensor with symmetry according to given crystal structure !> @brief Return 3x3 tensor with symmetry according to given crystal structure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_applyLatticeSymmetry33(T,structure) result(T_sym) pure function lattice_symmetrize_33(T,lattice) result(T_sym)
real(pReal), dimension(3,3) :: T_sym real(pReal), dimension(3,3) :: T_sym
real(pReal), dimension(3,3), intent(in) :: T real(pReal), dimension(3,3), intent(in) :: T
character(len=*), intent(in) :: structure character(len=2), intent(in) :: lattice
T_sym = 0.0_pReal T_sym = 0.0_pReal
select case(structure) select case(lattice)
case('cF','cI') case('cF','cI')
T_sym(1,1) = T(1,1) T_sym(1,1) = T(1,1)
T_sym(2,2) = T(1,1) T_sym(2,2) = T(1,1)
@ -1649,26 +1600,26 @@ pure function lattice_applyLatticeSymmetry33(T,structure) result(T_sym)
T_sym(3,3) = T(3,3) T_sym(3,3) = T(3,3)
end select end select
end function lattice_applyLatticeSymmetry33 end function lattice_symmetrize_33
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Return stiffness matrix in 6x6 notation with symmetry according to given crystal structure !> @brief Return stiffness matrix in 6x6 notation with symmetry according to given crystal structure
!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962 !> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function applyLatticeSymmetryC66(C66,structure) result(C66_sym) pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
real(pReal), dimension(6,6) :: C66_sym real(pReal), dimension(6,6) :: C66_sym
real(pReal), dimension(6,6), intent(in) :: C66 real(pReal), dimension(6,6), intent(in) :: C66
character(len=*), intent(in) :: structure character(len=*), intent(in) :: lattice
integer :: i,j integer :: i,j
C66_sym = 0.0_pReal C66_sym = 0.0_pReal
select case(structure) select case(lattice)
case ('cF','cI') case ('cF','cI')
C66_sym(1,1) = C66(1,1); C66_sym(2,2) = C66(1,1); C66_sym(3,3) = C66(1,1) C66_sym(1,1) = C66(1,1); C66_sym(2,2) = C66(1,1); C66_sym(3,3) = C66(1,1)
C66_sym(1,2) = C66(1,2); C66_sym(1,3) = C66(1,2); C66_sym(2,3) = C66(1,2) C66_sym(1,2) = C66(1,2); C66_sym(1,3) = C66(1,2); C66_sym(2,3) = C66(1,2)
@ -1695,7 +1646,7 @@ pure function applyLatticeSymmetryC66(C66,structure) result(C66_sym)
enddo enddo
enddo enddo
end function applyLatticeSymmetryC66 end function lattice_symmetrize_C66
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -2203,10 +2154,10 @@ subroutine selfTest
do i = 1, 10 do i = 1, 10
call random_number(C) call random_number(C)
C_cF = applyLatticeSymmetryC66(C,'cI') C_cF = lattice_symmetrize_C66(C,'cI')
C_cI = applyLatticeSymmetryC66(C,'cF') C_cI = lattice_symmetrize_C66(C,'cF')
C_hP = applyLatticeSymmetryC66(C,'hP') C_hP = lattice_symmetrize_C66(C,'hP')
C_tI = applyLatticeSymmetryC66(C,'tI') C_tI = lattice_symmetrize_C66(C,'tI')
if (any(dNeq(C_cI,transpose(C_cF)))) error stop 'SymmetryC66/cI-cF' if (any(dNeq(C_cI,transpose(C_cF)))) error stop 'SymmetryC66/cI-cF'
if (any(dNeq(C_cF,transpose(C_cI)))) error stop 'SymmetryC66/cF-cI' if (any(dNeq(C_cF,transpose(C_cI)))) error stop 'SymmetryC66/cF-cI'
@ -2226,10 +2177,10 @@ subroutine selfTest
if (any(dNeq(C(4,4),[C_tI(4,4),C_tI(5,5)]))) error stop 'SymmetryC_44-55/tI' if (any(dNeq(C(4,4),[C_tI(4,4),C_tI(5,5)]))) error stop 'SymmetryC_44-55/tI'
call random_number(T) call random_number(T)
T_cF = lattice_applyLatticeSymmetry33(T,'cI') T_cF = lattice_symmetrize_33(T,'cI')
T_cI = lattice_applyLatticeSymmetry33(T,'cF') T_cI = lattice_symmetrize_33(T,'cF')
T_hP = lattice_applyLatticeSymmetry33(T,'hP') T_hP = lattice_symmetrize_33(T,'hP')
T_tI = lattice_applyLatticeSymmetry33(T,'tI') T_tI = lattice_symmetrize_33(T,'tI')
if (any(dNeq0(T_cF) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/c' if (any(dNeq0(T_cF) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/c'
if (any(dNeq0(T_hP) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/hP' if (any(dNeq0(T_hP) .and. math_I3<1.0_pReal)) error stop 'Symmetry33/hP'
@ -2244,7 +2195,7 @@ subroutine selfTest
call random_number(C) call random_number(C)
C(1,1) = C(1,1) + C(1,2) + 0.1_pReal C(1,1) = C(1,1) + C(1,2) + 0.1_pReal
C(4,4) = 0.5_pReal * (C(1,1) - C(1,2)) C(4,4) = 0.5_pReal * (C(1,1) - C(1,2))
C = applyLatticeSymmetryC66(C,'cI') C = lattice_symmetrize_C66(C,'cI')
if(dNeq(C(4,4),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt' if(dNeq(C(4,4),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt'
if(dNeq(C(4,4),lattice_equivalent_mu(C,'reuss'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss' 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
param(ph)%mu = source%get_asFloat('mu') param(ph)%mu = source%get_asFloat('mu')
param(ph)%D(1,1) = source%get_asFloat('D_11') param(ph)%D(1,1) = source%get_asFloat('D_11')
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%D(3,3) = source%get_asFloat('D_33') if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%D(3,3) = source%get_asFloat('D_33')
param(ph)%D = lattice_applyLatticeSymmetry33(param(ph)%D,phase_lattice(ph)) param(ph)%D = lattice_symmetrize_33(param(ph)%D,phase_lattice(ph))
endif endif
enddo enddo

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@ -168,6 +168,20 @@ submodule(phase) mechanical
integer, intent(in) :: ph,en integer, intent(in) :: ph,en
end function plastic_dislotwin_homogenizedC end function plastic_dislotwin_homogenizedC
module function elastic_C66(ph) result(C66)
real(pReal), dimension(6,6) :: C66
integer, intent(in) :: ph
end function elastic_C66
module function elastic_mu(ph) result(mu)
real(pReal) :: mu
integer, intent(in) :: ph
end function elastic_mu
module function elastic_nu(ph) result(nu)
real(pReal) :: nu
integer, intent(in) :: ph
end function elastic_nu
end interface end interface
type :: tOutput !< new requested output (per phase) type :: tOutput !< new requested output (per phase)

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@ -69,7 +69,7 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
prm%A(3,3,3) = kinematic_type%get_asFloat('A_33,T^2',defaultVal=0.0_pReal) prm%A(3,3,3) = kinematic_type%get_asFloat('A_33,T^2',defaultVal=0.0_pReal)
endif endif
do i=1, size(prm%A,3) do i=1, size(prm%A,3)
prm%A(1:3,1:3,i) = lattice_applyLatticeSymmetry33(prm%A(1:3,1:3,i),phase_lattice(p)) prm%A(1:3,1:3,i) = lattice_symmetrize_33(prm%A(1:3,1:3,i),phase_lattice(p))
enddo enddo
end associate end associate
endif endif

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@ -2,7 +2,10 @@ submodule(phase:mechanical) elastic
type :: tParameters type :: tParameters
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
C66 !< Elastic constants in Voig notation C66 !< Elastic constants in Voigt notation
real(pReal) :: &
mu, &
nu
end type tParameters end type tParameters
type(tParameters), allocatable, dimension(:) :: param type(tParameters), allocatable, dimension(:) :: param
@ -37,6 +40,7 @@ module subroutine elastic_init(phases)
if (elastic%get_asString('type') /= 'Hooke') call IO_error(200,ext_msg=elastic%get_asString('type')) if (elastic%get_asString('type') /= 'Hooke') call IO_error(200,ext_msg=elastic%get_asString('type'))
associate(prm => param(ph)) associate(prm => param(ph))
prm%C66(1,1) = elastic%get_asFloat('C_11') prm%C66(1,1) = elastic%get_asFloat('C_11')
prm%C66(1,2) = elastic%get_asFloat('C_12') prm%C66(1,2) = elastic%get_asFloat('C_12')
prm%C66(4,4) = elastic%get_asFloat('C_44') prm%C66(4,4) = elastic%get_asFloat('C_44')
@ -46,6 +50,12 @@ module subroutine elastic_init(phases)
prm%C66(3,3) = elastic%get_asFloat('C_33') prm%C66(3,3) = elastic%get_asFloat('C_33')
endif endif
if (phase_lattice(ph) == 'tI') prm%C66(6,6) = elastic%get_asFloat('C_66') if (phase_lattice(ph) == 'tI') prm%C66(6,6) = elastic%get_asFloat('C_66')
prm%C66 = lattice_symmetrize_C66(prm%C66,phase_lattice(ph))
prm%nu = lattice_equivalent_nu(prm%C66,'voigt')
prm%mu = lattice_equivalent_mu(prm%C66,'voigt')
end associate end associate
enddo enddo
@ -104,10 +114,38 @@ module function phase_homogenizedC(ph,en) result(C)
case (PLASTICITY_DISLOTWIN_ID) plasticType case (PLASTICITY_DISLOTWIN_ID) plasticType
C = plastic_dislotwin_homogenizedC(ph,en) C = plastic_dislotwin_homogenizedC(ph,en)
case default plasticType case default plasticType
C = lattice_C66(1:6,1:6,ph) C = param(ph)%C66
end select plasticType end select plasticType
end function phase_homogenizedC end function phase_homogenizedC
module function elastic_C66(ph) result(C66)
real(pReal), dimension(6,6) :: C66
integer, intent(in) :: ph
C66 = param(ph)%C66
end function elastic_C66
module function elastic_mu(ph) result(mu)
real(pReal) :: mu
integer, intent(in) :: ph
mu = param(ph)%mu
end function elastic_mu
module function elastic_nu(ph) result(nu)
real(pReal) :: nu
integer, intent(in) :: ph
nu = param(ph)%mu
end function elastic_nu
end submodule elastic end submodule elastic

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@ -129,8 +129,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray) prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
#endif #endif
! This data is read in already in lattice prm%mu = elastic_mu(ph)
prm%mu = lattice_mu(ph)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters

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@ -184,9 +184,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
#endif #endif
! This data is read in already in lattice ! This data is read in already in lattice
prm%mu = lattice_mu(ph) prm%mu = elastic_mu(ph)
prm%nu = lattice_nu(ph) prm%nu = elastic_nu(ph)
prm%C66 = lattice_C66(1:6,1:6,ph) prm%C66 = elastic_C66(ph)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
@ -481,8 +481,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
real(pReal) :: f_unrotated real(pReal) :: f_unrotated
associate(prm => param(ph),& associate(prm => param(ph), stt => state(ph))
stt => state(ph))
f_unrotated = 1.0_pReal & f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,en)) & - sum(stt%f_tw(1:prm%sum_N_tw,en)) &

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@ -240,9 +240,8 @@ module function plastic_nonlocal_init() result(myPlasticity)
prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal) prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
! This data is read in already in lattice prm%mu = elastic_mu(ph)
prm%mu = lattice_mu(ph) prm%nu = elastic_nu(ph)
prm%nu = lattice_nu(ph)
ini%N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray) ini%N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(ini%N_sl)) prm%sum_N_sl = sum(abs(ini%N_sl))

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@ -103,7 +103,7 @@ module subroutine thermal_init(phases)
param(ph)%C_p = thermal%get_asFloat('C_p',defaultVal=0.0_pReal) ! ToDo: make mandatory? param(ph)%C_p = thermal%get_asFloat('C_p',defaultVal=0.0_pReal) ! ToDo: make mandatory?
param(ph)%K(1,1) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal) ! ToDo: make mandatory? param(ph)%K(1,1) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal) ! ToDo: make mandatory?
param(ph)%K(3,3) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal) ! ToDo: depends on symmtery param(ph)%K(3,3) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal) ! ToDo: depends on symmtery
param(ph)%K = lattice_applyLatticeSymmetry33(param(ph)%K,phase_lattice(ph)) param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph))
sources => thermal%get('source',defaultVal=emptyList) sources => thermal%get('source',defaultVal=emptyList)
thermal_Nsources(ph) = sources%length thermal_Nsources(ph) = sources%length