Merge branch 'rename-lattice-to-crystal' into 'development'
consistent naming with Python module See merge request damask/DAMASK!777
This commit is contained in:
Sharan Roongta
commit
85ba5414c0
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@ -1,7 +1,7 @@
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# special flags for some files
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if(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
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# long lines for interaction matrix
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set_source_files_properties("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
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set_source_files_properties("crystal.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
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set_source_files_properties("parallelization.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-none")
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endif()
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@ -476,7 +476,7 @@ subroutine IO_error(error_ID,ext_msg,label1,ID1,label2,ID2)
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case (131)
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msg = 'hex lattice structure with invalid c/a ratio'
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case (132)
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msg = 'trans_lattice_structure not possible'
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msg = 'invalid parameters for transformation'
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case (134)
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msg = 'negative lattice parameter'
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case (135)
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@ -155,7 +155,7 @@ end module DAMASK_interface
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#include "../rotations.f90"
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#include "../polynomials.f90"
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#include "../tables.f90"
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#include "../lattice.f90"
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#include "../crystal.f90"
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#include "element.f90"
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#include "../geometry_plastic_nonlocal.f90"
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#include "../discretization.f90"
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@ -16,7 +16,7 @@ module materialpoint_Marc
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use rotations
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use polynomials
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use tables
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use lattice
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use crystal
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use material
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use phase
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use homogenization
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@ -75,7 +75,7 @@ subroutine materialpoint_initAll()
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call rotations_init()
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call polynomials_init()
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call tables_init()
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call lattice_init()
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call crystal_init()
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call discretization_Marc_init()
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call material_init(.false.)
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call phase_init()
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@ -3,10 +3,10 @@
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief contains lattice definitions including Schmid matrices for slip, twin, trans,
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! and cleavage as well as interaction among the various systems
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!> @brief Contains crystal definitions including Schmid matrices for slip, twin, trans,
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! and cleavage as well as interaction among the various systems.
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!--------------------------------------------------------------------------------------------------
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module lattice
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module crystal
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use prec
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use misc
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use IO
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@ -80,7 +80,7 @@ module lattice
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],pREAL),shape(CF_SYSTEMTWIN)) !< cF twin systems
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integer, dimension(2,CF_NTWIN), parameter, public :: &
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lattice_CF_TWINNUCLEATIONSLIPPAIR = reshape( [&
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crystal_CF_TWINNUCLEATIONSLIPPAIR = reshape( [&
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2,3, &
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1,3, &
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1,2, &
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@ -93,7 +93,7 @@ module lattice
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11,12, &
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10,12, &
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10,11 &
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],shape(lattice_CF_TWINNUCLEATIONSLIPPAIR))
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],shape(crystal_CF_TWINNUCLEATIONSLIPPAIR))
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real(pREAL), dimension(3+3,CF_NCLEAVAGE), parameter :: &
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CF_SYSTEMCLEAVAGE = reshape(real([&
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@ -367,60 +367,60 @@ module lattice
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],pREAL),shape(TI_SYSTEMSLIP)) !< tI 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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interface lattice_forestProjection_edge
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interface crystal_forestProjection_edge
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module procedure slipProjection_transverse
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end interface lattice_forestProjection_edge
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end interface crystal_forestProjection_edge
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interface lattice_forestProjection_screw
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interface crystal_forestProjection_screw
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module procedure slipProjection_direction
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end interface lattice_forestProjection_screw
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end interface crystal_forestProjection_screw
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public :: &
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lattice_init, &
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lattice_isotropic_nu, &
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lattice_isotropic_mu, &
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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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lattice_SchmidMatrix_cleavage, &
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lattice_nonSchmidMatrix, &
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lattice_interaction_SlipBySlip, &
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lattice_interaction_TwinByTwin, &
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lattice_interaction_TransByTrans, &
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lattice_interaction_SlipByTwin, &
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lattice_interaction_SlipByTrans, &
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lattice_interaction_TwinBySlip, &
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lattice_characteristicShear_Twin, &
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lattice_C66_twin, &
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lattice_C66_trans, &
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lattice_forestProjection_edge, &
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lattice_forestProjection_screw, &
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lattice_slip_normal, &
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lattice_slip_direction, &
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lattice_slip_transverse, &
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lattice_labels_slip, &
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lattice_labels_twin
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crystal_init, &
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crystal_isotropic_nu, &
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crystal_isotropic_mu, &
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crystal_symmetrize_33, &
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crystal_symmetrize_C66, &
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crystal_SchmidMatrix_slip, &
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crystal_SchmidMatrix_twin, &
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crystal_SchmidMatrix_trans, &
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crystal_SchmidMatrix_cleavage, &
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crystal_nonSchmidMatrix, &
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crystal_interaction_SlipBySlip, &
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crystal_interaction_TwinByTwin, &
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crystal_interaction_TransByTrans, &
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crystal_interaction_SlipByTwin, &
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crystal_interaction_SlipByTrans, &
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crystal_interaction_TwinBySlip, &
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crystal_characteristicShear_Twin, &
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crystal_C66_twin, &
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crystal_C66_trans, &
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crystal_forestProjection_edge, &
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crystal_forestProjection_screw, &
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crystal_slip_normal, &
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crystal_slip_direction, &
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crystal_slip_transverse, &
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crystal_labels_slip, &
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crystal_labels_twin
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief Run self test.
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!--------------------------------------------------------------------------------------------------
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subroutine lattice_init()
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subroutine crystal_init()
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print'(/,1x,a)', '<<<+- lattice init -+>>>'; flush(IO_STDOUT)
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print'(/,1x,a)', '<<<+- crystal init -+>>>'; flush(IO_STDOUT)
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call selfTest()
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end subroutine lattice_init
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end subroutine crystal_init
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!--------------------------------------------------------------------------------------------------
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!> @brief Characteristic shear for twinning
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!--------------------------------------------------------------------------------------------------
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function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(characteristicShear)
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function crystal_characteristicShear_Twin(Ntwin,lattice,CoverA) result(characteristicShear)
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
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character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
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@ -470,7 +470,7 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
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characteristicShear(a) = 0.5_pREAL*sqrt(2.0_pREAL)
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case('hP')
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if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) &
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call IO_error(131,ext_msg='lattice_characteristicShear_Twin')
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call IO_error(131,ext_msg='crystal_characteristicShear_Twin')
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p = sum(HP_NTWINSYSTEM(1:f-1))+s
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select case(HP_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29
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case (1) ! <-10.1>{10.2}
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@ -483,24 +483,24 @@ function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
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characteristicShear(a) = 2.0_pREAL*(cOverA**2-2.0_pREAL)/3.0_pREAL/cOverA
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end select
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case default
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call IO_error(137,ext_msg='lattice_characteristicShear_Twin: '//trim(lattice))
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call IO_error(137,ext_msg='crystal_characteristicShear_Twin: '//trim(lattice))
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end select
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end do mySystems
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end do myFamilies
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end function lattice_characteristicShear_Twin
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end function crystal_characteristicShear_Twin
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!--------------------------------------------------------------------------------------------------
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!> @brief Rotated elasticity matrices for twinning in 6x6-matrix notation
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!--------------------------------------------------------------------------------------------------
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function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
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function crystal_C66_twin(Ntwin,C66,lattice,CoverA)
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
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character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
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real(pREAL), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix
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real(pREAL), intent(in) :: cOverA !< c/a ratio
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real(pREAL), dimension(6,6,sum(Ntwin)) :: lattice_C66_twin
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real(pREAL), dimension(6,6,sum(Ntwin)) :: crystal_C66_twin
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real(pREAL), dimension(3,3,sum(Ntwin)):: coordinateSystem
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type(tRotation) :: R
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@ -518,28 +518,28 @@ function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
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coordinateSystem = buildCoordinateSystem(Ntwin,HP_NSLIPSYSTEM,HP_SYSTEMTWIN,&
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lattice,cOverA)
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case default
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call IO_error(137,ext_msg='lattice_C66_twin: '//trim(lattice))
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call IO_error(137,ext_msg='crystal_C66_twin: '//trim(lattice))
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end select
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do i = 1, sum(Ntwin)
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call R%fromAxisAngle([coordinateSystem(1:3,2,i),PI],P=1) ! ToDo: Why always 180 deg?
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lattice_C66_twin(1:6,1:6,i) = R%rotStiffness(C66)
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crystal_C66_twin(1:6,1:6,i) = R%rotStiffness(C66)
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end do
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end function lattice_C66_twin
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end function crystal_C66_twin
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!--------------------------------------------------------------------------------------------------
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!> @brief Rotated elasticity matrices for transformation in 6x6-matrix notation
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!--------------------------------------------------------------------------------------------------
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function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
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function crystal_C66_trans(Ntrans,C_parent66,crystal_target, &
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cOverA_trans,a_cF,a_cI)
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integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
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character(len=*), intent(in) :: lattice_target !< Bravais lattice (Pearson symbol)
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character(len=*), intent(in) :: crystal_target !< Bravais lattice (Pearson symbol)
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real(pREAL), dimension(6,6), intent(in) :: C_parent66
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real(pREAL), optional, intent(in) :: cOverA_trans, a_cF, a_cI
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real(pREAL), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
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real(pREAL), dimension(6,6,sum(Ntrans)) :: crystal_C66_trans
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real(pREAL), dimension(6,6) :: C_bar66, C_target_unrotated66
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real(pREAL), dimension(3,3,sum(Ntrans)) :: Q,S
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@ -548,11 +548,11 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
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!--------------------------------------------------------------------------------------------------
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! elasticity matrix of the target phase in cube orientation
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if (lattice_target == 'hP' .and. present(cOverA_trans)) then
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if (crystal_target == 'hP' .and. present(cOverA_trans)) then
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! https://doi.org/10.1063/1.1663858 eq. (16), eq. (18), eq. (19)
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! https://doi.org/10.1016/j.actamat.2016.07.032 eq. (47), eq. (48)
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if (cOverA_trans < 1.0_pREAL .or. cOverA_trans > 2.0_pREAL) &
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call IO_error(131,ext_msg='lattice_C66_trans: '//trim(lattice_target))
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call IO_error(131,ext_msg='crystal_C66_trans: '//trim(crystal_target))
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C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pREAL*C_parent66(4,4))/2.0_pREAL
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C_bar66(1,2) = (C_parent66(1,1) + 5.0_pREAL*C_parent66(1,2) - 2.0_pREAL*C_parent66(4,4))/6.0_pREAL
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C_bar66(3,3) = (C_parent66(1,1) + 2.0_pREAL*C_parent66(1,2) + 4.0_pREAL*C_parent66(4,4))/3.0_pREAL
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@ -566,13 +566,13 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_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/(0.5_pREAL*(C_bar66(1,1) - C_bar66(1,2)))
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C_target_unrotated66 = lattice_symmetrize_C66(C_target_unrotated66,'hP')
|
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elseif (lattice_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
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C_target_unrotated66 = crystal_symmetrize_C66(C_target_unrotated66,'hP')
|
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elseif (crystal_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
|
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if (a_cI <= 0.0_pREAL .or. a_cF <= 0.0_pREAL) &
|
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call IO_error(134,ext_msg='lattice_C66_trans: '//trim(lattice_target))
|
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call IO_error(134,ext_msg='crystal_C66_trans: '//trim(crystal_target))
|
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C_target_unrotated66 = C_parent66
|
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else
|
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call IO_error(137,ext_msg='lattice_C66_trans : '//trim(lattice_target))
|
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call IO_error(137,ext_msg='crystal_C66_trans : '//trim(crystal_target))
|
||||
end if
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||||
|
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do i = 1,6
|
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|
|
@ -584,10 +584,10 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
|
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|
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do i = 1,sum(Ntrans)
|
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call R%fromMatrix(Q(1:3,1:3,i))
|
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lattice_C66_trans(1:6,1:6,i) = R%rotStiffness(C_target_unrotated66)
|
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crystal_C66_trans(1:6,1:6,i) = R%rotStiffness(C_target_unrotated66)
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end do
|
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|
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end function lattice_C66_trans
|
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end function crystal_C66_trans
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -595,7 +595,7 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
|
|||
! https://doi.org/10.1016/j.actamat.2012.03.053, eq. (17)
|
||||
! https://doi.org/10.1016/j.actamat.2008.07.037, table 1
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSchmidMatrix)
|
||||
function crystal_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
real(pREAL), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
|
||||
|
|
@ -608,11 +608,11 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
|
|||
integer :: i
|
||||
|
||||
|
||||
if (abs(sense) /= 1) error stop 'Sense in lattice_nonSchmidMatrix'
|
||||
if (abs(sense) /= 1) error stop 'Sense in crystal_nonSchmidMatrix'
|
||||
|
||||
coordinateSystem = buildCoordinateSystem(Nslip,CI_NSLIPSYSTEM,CI_SYSTEMSLIP,'cI',0.0_pREAL)
|
||||
coordinateSystem(1:3,1,1:sum(Nslip)) = coordinateSystem(1:3,1,1:sum(Nslip))*real(sense,pREAL) ! convert unidirectional coordinate system
|
||||
nonSchmidMatrix = lattice_SchmidMatrix_slip(Nslip,'cI',0.0_pREAL) ! Schmid contribution
|
||||
nonSchmidMatrix = crystal_SchmidMatrix_slip(Nslip,'cI',0.0_pREAL) ! Schmid contribution
|
||||
|
||||
do i = 1,sum(Nslip)
|
||||
direction = coordinateSystem(1:3,1,i)
|
||||
|
|
@ -635,7 +635,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
|
|||
+ nonSchmidCoefficients(6) * math_outer(direction, direction)
|
||||
end do
|
||||
|
||||
end function lattice_nonSchmidMatrix
|
||||
end function crystal_nonSchmidMatrix
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -644,7 +644,7 @@ end function lattice_nonSchmidMatrix
|
|||
!> @details https://doi.org/10.1016/j.actamat.2016.12.040 (cF: Tab S4-1, cI: Tab S5-1)
|
||||
!> @details https://doi.org/10.1016/j.ijplas.2014.06.010 (hP: Tab 3b)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(interactionMatrix)
|
||||
function crystal_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
|
||||
|
|
@ -950,19 +950,19 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
interactionTypes = TI_INTERACTIONSLIPSLIP
|
||||
NslipMax = TI_NSLIPSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_interaction_SlipBySlip: '//trim(lattice))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Nslip,Nslip,NslipMax,NslipMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_SlipBySlip
|
||||
end function crystal_interaction_SlipBySlip
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Twin-twin interaction matrix
|
||||
!> details only active twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(interactionMatrix)
|
||||
function crystal_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
|
||||
|
|
@ -1049,19 +1049,19 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(
|
|||
interactionTypes = HP_INTERACTIONTWINTWIN
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_interaction_TwinByTwin: '//trim(lattice))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Ntwin,Ntwin,NtwinMax,NtwinMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_TwinByTwin
|
||||
end function crystal_interaction_TwinByTwin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Trans-trans interaction matrix
|
||||
!> details only active trans systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) result(interactionMatrix)
|
||||
function crystal_interaction_TransByTrans(Ntrans,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family
|
||||
real(pREAL), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
|
||||
|
|
@ -1091,19 +1091,19 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) resu
|
|||
interactionTypes = CF_INTERACTIONTRANSTRANS
|
||||
NtransMax = CF_NTRANSSYSTEM
|
||||
else
|
||||
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_interaction_TransByTrans: '//trim(lattice))
|
||||
end if
|
||||
|
||||
interactionMatrix = buildInteraction(Ntrans,Ntrans,NtransMax,NtransMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_TransByTrans
|
||||
end function crystal_interaction_TransByTrans
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip-twin interaction matrix
|
||||
!> details only active slip and twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) result(interactionMatrix)
|
||||
function crystal_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
|
||||
Ntwin !< number of active twin systems per family
|
||||
|
|
@ -1251,19 +1251,19 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
NslipMax = HP_NSLIPSYSTEM
|
||||
NtwinMax = HP_NTWINSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_interaction_SlipByTwin: '//trim(lattice))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_SlipByTwin
|
||||
end function crystal_interaction_SlipByTwin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip-trans interaction matrix
|
||||
!> details only active slip and trans systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice) result(interactionMatrix)
|
||||
function crystal_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
|
||||
Ntrans !< number of active trans systems per family
|
||||
|
|
@ -1304,19 +1304,19 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice)
|
|||
NslipMax = CF_NSLIPSYSTEM
|
||||
NtransMax = CF_NTRANSSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_interaction_SlipByTrans: '//trim(lattice))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Nslip,Ntrans,NslipMax,NtransMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_SlipByTrans
|
||||
end function crystal_interaction_SlipByTrans
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Twin-slip interaction matrix
|
||||
!> details only active twin and slip systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) result(interactionMatrix)
|
||||
function crystal_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) result(interactionMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
|
||||
Nslip !< number of active slip systems per family
|
||||
|
|
@ -1380,19 +1380,19 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) r
|
|||
NtwinMax = HP_NTWINSYSTEM
|
||||
NslipMax = HP_NSLIPSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_interaction_TwinBySlip: '//trim(lattice))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_TwinBySlip
|
||||
end function crystal_interaction_TwinBySlip
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Schmid matrix for slip
|
||||
!> details only active slip systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_SchmidMatrix_slip(Nslip,lattice,cOverA) result(SchmidMatrix)
|
||||
function crystal_SchmidMatrix_slip(Nslip,lattice,cOverA) result(SchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1419,7 +1419,7 @@ function lattice_SchmidMatrix_slip(Nslip,lattice,cOverA) result(SchmidMatrix)
|
|||
slipSystems = TI_SYSTEMSLIP
|
||||
case default
|
||||
allocate(NslipMax(0))
|
||||
call IO_error(137,ext_msg='lattice_SchmidMatrix_slip: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_SchmidMatrix_slip: '//trim(lattice))
|
||||
end select
|
||||
|
||||
if (any(NslipMax(1:size(Nslip)) - Nslip < 0)) &
|
||||
|
|
@ -1435,14 +1435,14 @@ function lattice_SchmidMatrix_slip(Nslip,lattice,cOverA) result(SchmidMatrix)
|
|||
error stop 'dilatational Schmid matrix for slip'
|
||||
end do
|
||||
|
||||
end function lattice_SchmidMatrix_slip
|
||||
end function crystal_SchmidMatrix_slip
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Schmid matrix for twinning
|
||||
!> details only active twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_SchmidMatrix_twin(Ntwin,lattice,cOverA) result(SchmidMatrix)
|
||||
function crystal_SchmidMatrix_twin(Ntwin,lattice,cOverA) result(SchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1466,7 +1466,7 @@ function lattice_SchmidMatrix_twin(Ntwin,lattice,cOverA) result(SchmidMatrix)
|
|||
twinSystems = HP_SYSTEMTWIN
|
||||
case default
|
||||
allocate(NtwinMax(0))
|
||||
call IO_error(137,ext_msg='lattice_SchmidMatrix_twin: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_SchmidMatrix_twin: '//trim(lattice))
|
||||
end select
|
||||
|
||||
if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
|
||||
|
|
@ -1482,43 +1482,43 @@ function lattice_SchmidMatrix_twin(Ntwin,lattice,cOverA) result(SchmidMatrix)
|
|||
error stop 'dilatational Schmid matrix for twin'
|
||||
end do
|
||||
|
||||
end function lattice_SchmidMatrix_twin
|
||||
end function crystal_SchmidMatrix_twin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Schmid matrix for transformation
|
||||
!> details only active twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_cF,a_cI) result(SchmidMatrix)
|
||||
function crystal_SchmidMatrix_trans(Ntrans,crystal_target,cOverA,a_cF,a_cI) result(SchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
|
||||
character(len=*), intent(in) :: lattice_target !< Bravais lattice (Pearson symbol)
|
||||
character(len=*), intent(in) :: crystal_target !< Bravais lattice (Pearson symbol)
|
||||
real(pREAL), optional, intent(in) :: cOverA, a_cI, a_cF
|
||||
real(pREAL), dimension(3,3,sum(Ntrans)) :: SchmidMatrix
|
||||
|
||||
real(pREAL), dimension(3,3,sum(Ntrans)) :: devNull
|
||||
|
||||
|
||||
if (lattice_target == 'hP' .and. present(cOverA)) then
|
||||
if (crystal_target == 'hP' .and. present(cOverA)) then
|
||||
if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) &
|
||||
call IO_error(131,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call IO_error(131,ext_msg='crystal_SchmidMatrix_trans: '//trim(crystal_target))
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA=cOverA)
|
||||
else if (lattice_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
|
||||
else if (crystal_target == 'cI' .and. present(a_cF) .and. present(a_cI)) then
|
||||
if (a_cI <= 0.0_pREAL .or. a_cF <= 0.0_pREAL) &
|
||||
call IO_error(134,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call IO_error(134,ext_msg='crystal_SchmidMatrix_trans: '//trim(crystal_target))
|
||||
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,a_cF=a_cF,a_cI=a_cI)
|
||||
else
|
||||
call IO_error(131,ext_msg='lattice_SchmidMatrix_trans: '//trim(lattice_target))
|
||||
call IO_error(131,ext_msg='crystal_SchmidMatrix_trans: '//trim(crystal_target))
|
||||
end if
|
||||
|
||||
end function lattice_SchmidMatrix_trans
|
||||
end function crystal_SchmidMatrix_trans
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Schmid matrix for cleavage
|
||||
!> details only active cleavage systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_SchmidMatrix_cleavage(Ncleavage,lattice,cOverA) result(SchmidMatrix)
|
||||
function crystal_SchmidMatrix_cleavage(Ncleavage,lattice,cOverA) result(SchmidMatrix)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1539,7 +1539,7 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,lattice,cOverA) result(SchmidMa
|
|||
cleavageSystems = CI_SYSTEMCLEAVAGE
|
||||
case default
|
||||
allocate(NcleavageMax(0))
|
||||
call IO_error(137,ext_msg='lattice_SchmidMatrix_cleavage: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_SchmidMatrix_cleavage: '//trim(lattice))
|
||||
end select
|
||||
|
||||
if (any(NcleavageMax(1:size(Ncleavage)) - Ncleavage < 0)) &
|
||||
|
|
@ -1555,13 +1555,13 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,lattice,cOverA) result(SchmidMa
|
|||
SchmidMatrix(1:3,1:3,3,i) = math_outer(coordinateSystem(1:3,2,i),coordinateSystem(1:3,2,i))
|
||||
end do
|
||||
|
||||
end function lattice_SchmidMatrix_cleavage
|
||||
end function crystal_SchmidMatrix_cleavage
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip direction of slip systems (|| b)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_direction(Nslip,lattice,cOverA) result(d)
|
||||
function crystal_slip_direction(Nslip,lattice,cOverA) result(d)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1573,13 +1573,13 @@ function lattice_slip_direction(Nslip,lattice,cOverA) result(d)
|
|||
coordinateSystem = coordinateSystem_slip(Nslip,lattice,cOverA)
|
||||
d = coordinateSystem(1:3,1,1:sum(Nslip))
|
||||
|
||||
end function lattice_slip_direction
|
||||
end function crystal_slip_direction
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Normal direction of slip systems (|| n)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_normal(Nslip,lattice,cOverA) result(n)
|
||||
function crystal_slip_normal(Nslip,lattice,cOverA) result(n)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1591,13 +1591,13 @@ function lattice_slip_normal(Nslip,lattice,cOverA) result(n)
|
|||
coordinateSystem = coordinateSystem_slip(Nslip,lattice,cOverA)
|
||||
n = coordinateSystem(1:3,2,1:sum(Nslip))
|
||||
|
||||
end function lattice_slip_normal
|
||||
end function crystal_slip_normal
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Transverse direction of slip systems (|| t = b x n)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_transverse(Nslip,lattice,cOverA) result(t)
|
||||
function crystal_slip_transverse(Nslip,lattice,cOverA) result(t)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1609,14 +1609,14 @@ function lattice_slip_transverse(Nslip,lattice,cOverA) result(t)
|
|||
coordinateSystem = coordinateSystem_slip(Nslip,lattice,cOverA)
|
||||
t = coordinateSystem(1:3,3,1:sum(Nslip))
|
||||
|
||||
end function lattice_slip_transverse
|
||||
end function crystal_slip_transverse
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Labels of slip systems
|
||||
!> details only active slip systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_labels_slip(Nslip,lattice) result(labels)
|
||||
function crystal_labels_slip(Nslip,lattice) result(labels)
|
||||
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1640,7 +1640,7 @@ function lattice_labels_slip(Nslip,lattice) result(labels)
|
|||
NslipMax = TI_NSLIPSYSTEM
|
||||
slipSystems = TI_SYSTEMSLIP
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_labels_slip: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_labels_slip: '//trim(lattice))
|
||||
end select
|
||||
|
||||
if (any(NslipMax(1:size(Nslip)) - Nslip < 0)) &
|
||||
|
|
@ -1650,13 +1650,13 @@ function lattice_labels_slip(Nslip,lattice) result(labels)
|
|||
|
||||
labels = getLabels(Nslip,NslipMax,slipSystems)
|
||||
|
||||
end function lattice_labels_slip
|
||||
end function crystal_labels_slip
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Return 3x3 tensor with symmetry according to given Bravais lattice
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_symmetrize_33(T,lattice) result(T_sym)
|
||||
pure function crystal_symmetrize_33(T,lattice) result(T_sym)
|
||||
|
||||
real(pREAL), dimension(3,3) :: T_sym
|
||||
|
||||
|
|
@ -1677,14 +1677,14 @@ pure function lattice_symmetrize_33(T,lattice) result(T_sym)
|
|||
T_sym(3,3) = T(3,3)
|
||||
end select
|
||||
|
||||
end function lattice_symmetrize_33
|
||||
end function crystal_symmetrize_33
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Return stiffness matrix in 6x6 notation with symmetry according to given Bravais lattice
|
||||
!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
|
||||
pure function crystal_symmetrize_C66(C66,lattice) result(C66_sym)
|
||||
|
||||
real(pREAL), dimension(6,6) :: C66_sym
|
||||
|
||||
|
|
@ -1723,14 +1723,14 @@ pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
|
|||
end do
|
||||
end do
|
||||
|
||||
end function lattice_symmetrize_C66
|
||||
end function crystal_symmetrize_C66
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Labels for twin systems
|
||||
!> details only active twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_labels_twin(Ntwin,lattice) result(labels)
|
||||
function crystal_labels_twin(Ntwin,lattice) result(labels)
|
||||
|
||||
integer, dimension(:), intent(in) :: Ntwin !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: lattice !< Bravais lattice (Pearson symbol)
|
||||
|
|
@ -1751,7 +1751,7 @@ function lattice_labels_twin(Ntwin,lattice) result(labels)
|
|||
NtwinMax = HP_NTWINSYSTEM
|
||||
twinSystems = HP_SYSTEMTWIN
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_labels_twin: '//trim(lattice))
|
||||
call IO_error(137,ext_msg='crystal_labels_twin: '//trim(lattice))
|
||||
end select
|
||||
|
||||
if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
|
||||
|
|
@ -1761,7 +1761,7 @@ function lattice_labels_twin(Ntwin,lattice) result(labels)
|
|||
|
||||
labels = getLabels(Ntwin,NtwinMax,twinSystems)
|
||||
|
||||
end function lattice_labels_twin
|
||||
end function crystal_labels_twin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -1778,8 +1778,8 @@ function slipProjection_transverse(Nslip,lattice,cOverA) result(projection)
|
|||
real(pREAL), dimension(3,sum(Nslip)) :: n, t
|
||||
integer :: i, j
|
||||
|
||||
n = lattice_slip_normal (Nslip,lattice,cOverA)
|
||||
t = lattice_slip_transverse(Nslip,lattice,cOverA)
|
||||
n = crystal_slip_normal (Nslip,lattice,cOverA)
|
||||
t = crystal_slip_transverse(Nslip,lattice,cOverA)
|
||||
|
||||
do i=1, sum(Nslip); do j=1, sum(Nslip)
|
||||
projection(i,j) = abs(math_inner(n(:,i),t(:,j)))
|
||||
|
|
@ -1802,8 +1802,8 @@ function slipProjection_direction(Nslip,lattice,cOverA) result(projection)
|
|||
real(pREAL), dimension(3,sum(Nslip)) :: n, d
|
||||
integer :: i, j
|
||||
|
||||
n = lattice_slip_normal (Nslip,lattice,cOverA)
|
||||
d = lattice_slip_direction(Nslip,lattice,cOverA)
|
||||
n = crystal_slip_normal (Nslip,lattice,cOverA)
|
||||
d = crystal_slip_direction(Nslip,lattice,cOverA)
|
||||
|
||||
do i=1, sum(Nslip); do j=1, sum(Nslip)
|
||||
projection(i,j) = abs(math_inner(n(:,i),d(:,j)))
|
||||
|
|
@ -2150,7 +2150,7 @@ end function getlabels
|
|||
!> @brief Equivalent Poisson's ratio (ν)
|
||||
!> @details https://doi.org/10.1143/JPSJ.20.635
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_isotropic_nu(C,assumption,lattice) result(nu)
|
||||
pure function crystal_isotropic_nu(C,assumption,lattice) result(nu)
|
||||
|
||||
real(pREAL), dimension(6,6), intent(in) :: C !< Stiffness tensor (Voigt notation)
|
||||
character(len=*), intent(in) :: assumption !< Assumption (isostrain = 'Voigt', isostress = 'Reuss')
|
||||
|
|
@ -2172,10 +2172,10 @@ pure function lattice_isotropic_nu(C,assumption,lattice) result(nu)
|
|||
error stop 'invalid assumption'
|
||||
end if
|
||||
|
||||
mu = lattice_isotropic_mu(C,assumption,lattice)
|
||||
mu = crystal_isotropic_mu(C,assumption,lattice)
|
||||
nu = (1.5_pREAL*K-mu)/(3.0_pREAL*K+mu)
|
||||
|
||||
end function lattice_isotropic_nu
|
||||
end function crystal_isotropic_nu
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -2183,7 +2183,7 @@ end function lattice_isotropic_nu
|
|||
!> @details https://doi.org/10.1143/JPSJ.20.635
|
||||
!> @details Nonlinear Mechanics of Crystals 10.1007/978-94-007-0350-6, pp 563
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_isotropic_mu(C,assumption,lattice) result(mu)
|
||||
pure function crystal_isotropic_mu(C,assumption,lattice) result(mu)
|
||||
|
||||
real(pREAL), dimension(6,6), intent(in) :: C !< Stiffness tensor (Voigt notation)
|
||||
character(len=*), intent(in) :: assumption !< Assumption (isostrain = 'Voigt', isostress = 'Reuss')
|
||||
|
|
@ -2220,11 +2220,11 @@ pure function lattice_isotropic_mu(C,assumption,lattice) result(mu)
|
|||
error stop 'invalid assumption'
|
||||
end if
|
||||
|
||||
end function lattice_isotropic_mu
|
||||
end function crystal_isotropic_mu
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Check correctness of some lattice functions.
|
||||
!> @brief Check correctness of some crystal functions.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest
|
||||
|
||||
|
|
@ -2246,10 +2246,10 @@ subroutine selfTest
|
|||
|
||||
do i = 1, 10
|
||||
call random_number(C)
|
||||
C_cF = lattice_symmetrize_C66(C,'cI')
|
||||
C_cI = lattice_symmetrize_C66(C,'cF')
|
||||
C_hP = lattice_symmetrize_C66(C,'hP')
|
||||
C_tI = lattice_symmetrize_C66(C,'tI')
|
||||
C_cF = crystal_symmetrize_C66(C,'cI')
|
||||
C_cI = crystal_symmetrize_C66(C,'cF')
|
||||
C_hP = crystal_symmetrize_C66(C,'hP')
|
||||
C_tI = crystal_symmetrize_C66(C,'tI')
|
||||
|
||||
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'
|
||||
|
|
@ -2269,10 +2269,10 @@ subroutine selfTest
|
|||
if (any(dNeq(C(4,4),[C_tI(4,4),C_tI(5,5)]))) error stop 'SymmetryC_44-55/tI'
|
||||
|
||||
call random_number(T)
|
||||
T_cF = lattice_symmetrize_33(T,'cI')
|
||||
T_cI = lattice_symmetrize_33(T,'cF')
|
||||
T_hP = lattice_symmetrize_33(T,'hP')
|
||||
T_tI = lattice_symmetrize_33(T,'tI')
|
||||
T_cF = crystal_symmetrize_33(T,'cI')
|
||||
T_cI = crystal_symmetrize_33(T,'cF')
|
||||
T_hP = crystal_symmetrize_33(T,'hP')
|
||||
T_tI = crystal_symmetrize_33(T,'tI')
|
||||
|
||||
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'
|
||||
|
|
@ -2291,48 +2291,48 @@ subroutine selfTest
|
|||
C(4,4) = 0.5_pREAL * (C(1,1) - C(1,2))
|
||||
C(6,6) = C(4,4)
|
||||
|
||||
C_cI = lattice_symmetrize_C66(C,'cI')
|
||||
if (dNeq(C_cI(4,4),lattice_isotropic_mu(C_cI,'isostrain','cI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/cI'
|
||||
if (dNeq(C_cI(4,4),lattice_isotropic_mu(C_cI,'isostress','cI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/cI'
|
||||
C_cI = crystal_symmetrize_C66(C,'cI')
|
||||
if (dNeq(C_cI(4,4),crystal_isotropic_mu(C_cI,'isostrain','cI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/cI'
|
||||
if (dNeq(C_cI(4,4),crystal_isotropic_mu(C_cI,'isostress','cI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/cI'
|
||||
|
||||
lambda = C_cI(1,2)
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_cI,'isostrain','cI')), &
|
||||
lattice_isotropic_nu(C_cI,'isostrain','cI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/cI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_cI,'isostress','cI')), &
|
||||
lattice_isotropic_nu(C_cI,'isostress','cI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/cI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+crystal_isotropic_mu(C_cI,'isostrain','cI')), &
|
||||
crystal_isotropic_nu(C_cI,'isostrain','cI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/cI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+crystal_isotropic_mu(C_cI,'isostress','cI')), &
|
||||
crystal_isotropic_nu(C_cI,'isostress','cI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/cI'
|
||||
|
||||
|
||||
C_hP = lattice_symmetrize_C66(C,'hP')
|
||||
if (dNeq(C(4,4),lattice_isotropic_mu(C_hP,'isostrain','hP'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/hP'
|
||||
if (dNeq(C(4,4),lattice_isotropic_mu(C_hP,'isostress','hP'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/hP'
|
||||
C_hP = crystal_symmetrize_C66(C,'hP')
|
||||
if (dNeq(C(4,4),crystal_isotropic_mu(C_hP,'isostrain','hP'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/hP'
|
||||
if (dNeq(C(4,4),crystal_isotropic_mu(C_hP,'isostress','hP'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/hP'
|
||||
|
||||
lambda = C_hP(1,2)
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_hP,'isostrain','hP')), &
|
||||
lattice_isotropic_nu(C_hP,'isostrain','hP'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/hP'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_hP,'isostress','hP')), &
|
||||
lattice_isotropic_nu(C_hP,'isostress','hP'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/hP'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+crystal_isotropic_mu(C_hP,'isostrain','hP')), &
|
||||
crystal_isotropic_nu(C_hP,'isostrain','hP'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/hP'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+crystal_isotropic_mu(C_hP,'isostress','hP')), &
|
||||
crystal_isotropic_nu(C_hP,'isostress','hP'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/hP'
|
||||
|
||||
C_tI = lattice_symmetrize_C66(C,'tI')
|
||||
if (dNeq(C(6,6),lattice_isotropic_mu(C_tI,'isostrain','tI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/tI'
|
||||
if (dNeq(C(6,6),lattice_isotropic_mu(C_tI,'isostress','tI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/tI'
|
||||
C_tI = crystal_symmetrize_C66(C,'tI')
|
||||
if (dNeq(C(6,6),crystal_isotropic_mu(C_tI,'isostrain','tI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostrain/tI'
|
||||
if (dNeq(C(6,6),crystal_isotropic_mu(C_tI,'isostress','tI'),1.0e-12_pREAL)) error stop 'isotropic_mu/isostress/tI'
|
||||
|
||||
lambda = C_tI(1,2)
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_tI,'isostrain','tI')), &
|
||||
lattice_isotropic_nu(C_tI,'isostrain','tI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/tI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+lattice_isotropic_mu(C_tI,'isostress','tI')), &
|
||||
lattice_isotropic_nu(C_tI,'isostress','tI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/tI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+crystal_isotropic_mu(C_tI,'isostrain','tI')), &
|
||||
crystal_isotropic_nu(C_tI,'isostrain','tI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostrain/tI'
|
||||
if (dNeq(lambda*0.5_pREAL/(lambda+crystal_isotropic_mu(C_tI,'isostress','tI')), &
|
||||
crystal_isotropic_nu(C_tI,'isostress','tI'),1.0e-12_pREAL)) error stop 'isotropic_nu/isostress/tI'
|
||||
|
||||
call random_number(C)
|
||||
C = lattice_symmetrize_C66(C+math_eye(6),'cI')
|
||||
if (dNeq(lattice_isotropic_mu(C,'isostrain','cI'), lattice_isotropic_mu(C,'isostrain','hP'), 1.0e-12_pREAL)) &
|
||||
C = crystal_symmetrize_C66(C+math_eye(6),'cI')
|
||||
if (dNeq(crystal_isotropic_mu(C,'isostrain','cI'), crystal_isotropic_mu(C,'isostrain','hP'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_mu/isostrain/cI-hP'
|
||||
if (dNeq(lattice_isotropic_nu(C,'isostrain','cF'), lattice_isotropic_nu(C,'isostrain','cI'), 1.0e-12_pREAL)) &
|
||||
if (dNeq(crystal_isotropic_nu(C,'isostrain','cF'), crystal_isotropic_nu(C,'isostrain','cI'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_nu/isostrain/cF-tI'
|
||||
if (dNeq(lattice_isotropic_mu(C,'isostress','cI'), lattice_isotropic_mu(C,'isostress'), 1.0e-12_pREAL)) &
|
||||
if (dNeq(crystal_isotropic_mu(C,'isostress','cI'), crystal_isotropic_mu(C,'isostress'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_mu/isostress/cI-hP'
|
||||
if (dNeq(lattice_isotropic_nu(C,'isostress','cF'), lattice_isotropic_nu(C,'isostress'), 1.0e-12_pREAL)) &
|
||||
if (dNeq(crystal_isotropic_nu(C,'isostress','cF'), crystal_isotropic_nu(C,'isostress'), 1.0e-12_pREAL)) &
|
||||
error stop 'isotropic_nu/isostress/cF-tI'
|
||||
|
||||
end subroutine selfTest
|
||||
|
||||
end module lattice
|
||||
end module crystal
|
||||
|
|
@ -16,7 +16,7 @@ module homogenization
|
|||
use HDF5
|
||||
use HDF5_utilities
|
||||
use result
|
||||
use lattice
|
||||
use crystal
|
||||
|
||||
implicit none(type,external)
|
||||
private
|
||||
|
|
|
|||
|
|
@ -8,7 +8,7 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
submodule(homogenization:mechanical) RGC
|
||||
use rotations
|
||||
use lattice
|
||||
use crystal
|
||||
|
||||
type :: tParameters
|
||||
integer, dimension(:), allocatable :: &
|
||||
|
|
@ -654,7 +654,7 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
|
|||
|
||||
C = phase_homogenizedC66(material_ID_phase(co,ce),material_entry_phase(co,ce)) ! damage not included!
|
||||
|
||||
equivalentMu = lattice_isotropic_mu(C,'isostrain')
|
||||
equivalentMu = crystal_isotropic_mu(C,'isostrain')
|
||||
|
||||
end function equivalentMu
|
||||
|
||||
|
|
|
|||
|
|
@ -20,7 +20,7 @@ module materialpoint
|
|||
use rotations
|
||||
use polynomials
|
||||
use tables
|
||||
use lattice
|
||||
use crystal
|
||||
use material
|
||||
use phase
|
||||
use homogenization
|
||||
|
|
@ -64,7 +64,7 @@ subroutine materialpoint_initAll()
|
|||
call rotations_init()
|
||||
call polynomials_init()
|
||||
call tables_init()
|
||||
call lattice_init()
|
||||
call crystal_init()
|
||||
#if defined(MESH)
|
||||
call discretization_mesh_init(restart=CLI_restartInc>0)
|
||||
#elif defined(GRID)
|
||||
|
|
|
|||
|
|
@ -14,7 +14,7 @@ module phase
|
|||
use config
|
||||
use material
|
||||
use result
|
||||
use lattice
|
||||
use crystal
|
||||
use discretization
|
||||
use parallelization
|
||||
use HDF5
|
||||
|
|
@ -336,7 +336,7 @@ module phase
|
|||
config, &
|
||||
material, &
|
||||
result, &
|
||||
lattice, &
|
||||
crystal, &
|
||||
discretization, &
|
||||
HDF5_utilities
|
||||
#endif
|
||||
|
|
|
|||
|
|
@ -77,7 +77,7 @@ module function anisobrittle_init() result(mySources)
|
|||
prm%s_crit = src%get_as1dReal('s_crit',requiredSize=size(N_cl))
|
||||
prm%g_crit = src%get_as1dReal('g_crit',requiredSize=size(N_cl))
|
||||
|
||||
prm%cleavage_systems = lattice_SchmidMatrix_cleavage(N_cl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%cleavage_systems = crystal_SchmidMatrix_cleavage(N_cl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
! expand: family => system
|
||||
prm%s_crit = math_expand(prm%s_crit,N_cl)
|
||||
|
|
|
|||
|
|
@ -92,7 +92,7 @@ module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
|
|||
Alpha = 0.0_pREAL
|
||||
Alpha(1,1) = prm%Alpha_11%at(T)
|
||||
if (any(phase_lattice(ph) == ['hP','tI'])) Alpha(3,3) = prm%Alpha_33%at(T)
|
||||
Alpha = lattice_symmetrize_33(Alpha,phase_lattice(ph))
|
||||
Alpha = crystal_symmetrize_33(Alpha,phase_lattice(ph))
|
||||
Li = dot_T * Alpha
|
||||
|
||||
end associate
|
||||
|
|
|
|||
|
|
@ -97,7 +97,7 @@ pure module function elastic_C66(ph,en) result(C66)
|
|||
|
||||
if (phase_lattice(ph) == 'tI') C66(6,6) = prm%C_66%at(T)
|
||||
|
||||
C66 = lattice_symmetrize_C66(C66,phase_lattice(ph))
|
||||
C66 = crystal_symmetrize_C66(C66,phase_lattice(ph))
|
||||
|
||||
end associate
|
||||
|
||||
|
|
@ -119,7 +119,7 @@ pure module function elastic_mu(ph,en,isotropic_bound) result(mu)
|
|||
|
||||
associate(prm => param(ph))
|
||||
|
||||
mu = lattice_isotropic_mu(elastic_C66(ph,en),isotropic_bound,phase_lattice(ph))
|
||||
mu = crystal_isotropic_mu(elastic_C66(ph,en),isotropic_bound,phase_lattice(ph))
|
||||
|
||||
end associate
|
||||
|
||||
|
|
@ -141,7 +141,7 @@ pure module function elastic_nu(ph,en,isotropic_bound) result(nu)
|
|||
|
||||
associate(prm => param(ph))
|
||||
|
||||
nu = lattice_isotropic_nu(elastic_C66(ph,en),isotropic_bound,phase_lattice(ph))
|
||||
nu = crystal_isotropic_nu(elastic_C66(ph,en),isotropic_bound,phase_lattice(ph))
|
||||
|
||||
end associate
|
||||
|
||||
|
|
|
|||
|
|
@ -149,13 +149,13 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
|
||||
prm%sum_N_sl = sum(abs(N_sl))
|
||||
slipActive: if (prm%sum_N_sl > 0) then
|
||||
prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%systems_sl = crystal_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%P_sl = crystal_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
if (phase_lattice(ph) == 'cI') then
|
||||
a = pl%get_as1dReal('a_nonSchmid',defaultVal = emptyRealArray)
|
||||
prm%P_nS_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
|
||||
prm%P_nS_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
|
||||
prm%P_nS_pos = crystal_nonSchmidMatrix(N_sl,a,+1)
|
||||
prm%P_nS_neg = crystal_nonSchmidMatrix(N_sl,a,-1)
|
||||
else
|
||||
prm%P_nS_pos = prm%P_sl
|
||||
prm%P_nS_neg = prm%P_sl
|
||||
|
|
@ -184,13 +184,13 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
prm%d_caron = prm%b_sl * pl%get_asReal('D_a')
|
||||
prm%f_at = prm%b_sl**3*pl%get_asReal('f_at')
|
||||
|
||||
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
|
||||
prm%h_sl_sl = crystal_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
|
||||
phase_lattice(ph))
|
||||
|
||||
prm%forestProjection = spread( f_edge,1,prm%sum_N_sl) &
|
||||
* lattice_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
|
||||
* crystal_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
|
||||
+ spread(1.0_pREAL-f_edge,1,prm%sum_N_sl) &
|
||||
* lattice_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
* crystal_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
! sanity checks
|
||||
if ( prm%D_0 < 0.0_pREAL) extmsg = trim(extmsg)//' D_0'
|
||||
|
|
|
|||
|
|
@ -73,7 +73,7 @@ submodule(phase:plastic) dislotwin
|
|||
integer, allocatable, dimension(:,:) :: &
|
||||
fcc_twinNucleationSlipPair ! ToDo: Better name? Is also used for trans
|
||||
character(len=:), allocatable :: &
|
||||
lattice_tr, &
|
||||
crystal_tr, &
|
||||
isotropic_bound
|
||||
character(len=pSTRLEN), allocatable, dimension(:) :: &
|
||||
output
|
||||
|
|
@ -202,9 +202,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
|
||||
prm%sum_N_sl = sum(abs(N_sl))
|
||||
slipActive: if (prm%sum_N_sl > 0) then
|
||||
prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%systems_sl = crystal_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%P_sl = crystal_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%n0_sl = crystal_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal=.false.)
|
||||
prm%omitDipoles = pl%get_asBool('omit_dipoles', defaultVal=.false.)
|
||||
|
|
@ -226,15 +226,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
defaultVal=[(0.0_pREAL,i=1,size(N_sl))]),N_sl)
|
||||
prm%d_caron = prm%b_sl * pl%get_asReal('D_a')
|
||||
|
||||
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
|
||||
prm%h_sl_sl = crystal_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
|
||||
|
||||
prm%forestProjection = spread( f_edge,1,prm%sum_N_sl) &
|
||||
* lattice_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
|
||||
* crystal_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
|
||||
+ spread(1.0_pREAL-f_edge,1,prm%sum_N_sl) &
|
||||
* lattice_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
* crystal_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. N_sl(1) == 12
|
||||
if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_CF_TWINNUCLEATIONSLIPPAIR
|
||||
if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = crystal_CF_TWINNUCLEATIONSLIPPAIR
|
||||
|
||||
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
|
||||
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
||||
|
|
@ -274,9 +274,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
|
||||
prm%sum_N_tw = sum(abs(prm%N_tw))
|
||||
twinActive: if (prm%sum_N_tw > 0) then
|
||||
prm%systems_tw = lattice_labels_twin(prm%N_tw,phase_lattice(ph))
|
||||
prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%gamma_char_tw = lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%systems_tw = crystal_labels_twin(prm%N_tw,phase_lattice(ph))
|
||||
prm%P_tw = crystal_SchmidMatrix_twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%gamma_char_tw = crystal_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
prm%L_tw = pl%get_asReal('L_tw')
|
||||
prm%i_tw = pl%get_asReal('i_tw')
|
||||
|
|
@ -285,7 +285,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%t_tw = math_expand(pl%get_as1dReal('t_tw', requiredSize=size(prm%N_tw)),prm%N_tw)
|
||||
prm%r = math_expand(pl%get_as1dReal('p_tw', requiredSize=size(prm%N_tw)),prm%N_tw)
|
||||
|
||||
prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,pl%get_as1dReal('h_tw-tw'), &
|
||||
prm%h_tw_tw = crystal_interaction_TwinByTwin(prm%N_tw,pl%get_as1dReal('h_tw-tw'), &
|
||||
phase_lattice(ph))
|
||||
|
||||
! sanity checks
|
||||
|
|
@ -309,7 +309,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray)
|
||||
prm%sum_N_tr = sum(abs(prm%N_tr))
|
||||
transActive: if (prm%sum_N_tr > 0) then
|
||||
prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr,'hP',prm%cOverA_hP)
|
||||
prm%P_tr = crystal_SchmidMatrix_trans(prm%N_tr,'hP',prm%cOverA_hP)
|
||||
|
||||
prm%Delta_G = polynomial(pl,'Delta_G','T')
|
||||
prm%i_tr = pl%get_asReal('i_tr')
|
||||
|
|
@ -324,7 +324,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
a_cF = prm%b_tr(1)*sqrt(6.0_pREAL) ! b_tr is Shockley partial
|
||||
prm%h = 5.0_pREAL * a_cF/sqrt(3.0_pREAL)
|
||||
prm%rho = 4.0_pREAL/(sqrt(3.0_pREAL)*a_cF**2)/N_A
|
||||
prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dReal('h_tr-tr'),&
|
||||
prm%h_tr_tr = crystal_interaction_TransByTrans(prm%N_tr,pl%get_as1dReal('h_tr-tr'),&
|
||||
phase_lattice(ph))
|
||||
|
||||
|
||||
|
|
@ -372,13 +372,13 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%Gamma_sf = polynomial(pl,'Gamma_sf','T')
|
||||
|
||||
slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
|
||||
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,prm%N_tw,pl%get_as1dReal('h_sl-tw'), &
|
||||
prm%h_sl_tw = crystal_interaction_SlipByTwin(N_sl,prm%N_tw,pl%get_as1dReal('h_sl-tw'), &
|
||||
phase_lattice(ph))
|
||||
if (prm%fccTwinTransNucleation .and. size(prm%N_tw) /= 1) extmsg = trim(extmsg)//' N_tw: nucleation'
|
||||
end if slipAndTwinActive
|
||||
|
||||
slipAndTransActive: if (prm%sum_N_sl * prm%sum_N_tr > 0) then
|
||||
prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,prm%N_tr,pl%get_as1dReal('h_sl-tr'), &
|
||||
prm%h_sl_tr = crystal_interaction_SlipByTrans(N_sl,prm%N_tr,pl%get_as1dReal('h_sl-tr'), &
|
||||
phase_lattice(ph))
|
||||
if (prm%fccTwinTransNucleation .and. size(prm%N_tr) /= 1) extmsg = trim(extmsg)//' N_tr: nucleation'
|
||||
end if slipAndTransActive
|
||||
|
|
@ -480,7 +480,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
|||
homogenizedC = f_matrix * C
|
||||
|
||||
twinActive: if (prm%sum_N_tw > 0) then
|
||||
C66_tw = lattice_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph))
|
||||
C66_tw = crystal_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph))
|
||||
do i = 1, prm%sum_N_tw
|
||||
homogenizedC = homogenizedC &
|
||||
+ stt%f_tw(i,en)*C66_tw(1:6,1:6,i)
|
||||
|
|
@ -488,7 +488,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
|||
end if twinActive
|
||||
|
||||
transActive: if (prm%sum_N_tr > 0) then
|
||||
C66_tr = lattice_C66_trans(prm%N_tr,C,'hP',prm%cOverA_hP)
|
||||
C66_tr = crystal_C66_trans(prm%N_tr,C,'hP',prm%cOverA_hP)
|
||||
do i = 1, prm%sum_N_tr
|
||||
homogenizedC = homogenizedC &
|
||||
+ stt%f_tr(i,en)*C66_tr(1:6,1:6,i)
|
||||
|
|
|
|||
|
|
@ -139,14 +139,14 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
|
||||
prm%sum_N_sl = sum(abs(N_sl))
|
||||
slipActive: if (prm%sum_N_sl > 0) then
|
||||
prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%P = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%systems_sl = crystal_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%P = crystal_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
if (phase_lattice(ph) == 'cI') then
|
||||
a = pl%get_as1dReal('a_nonSchmid',defaultVal=emptyRealArray)
|
||||
prm%nonSchmidActive = size(a) > 0
|
||||
prm%P_nS_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
|
||||
prm%P_nS_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
|
||||
prm%P_nS_pos = crystal_nonSchmidMatrix(N_sl,a,+1)
|
||||
prm%P_nS_neg = crystal_nonSchmidMatrix(N_sl,a,-1)
|
||||
else
|
||||
prm%P_nS_pos = prm%P
|
||||
prm%P_nS_neg = prm%P
|
||||
|
|
@ -155,7 +155,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
prm%dot_gamma_0 = pl%get_asReal('dot_gamma_0')
|
||||
prm%n = pl%get_asReal('n')
|
||||
|
||||
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
|
||||
prm%h_sl_sl = crystal_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
|
||||
phase_lattice(ph))
|
||||
|
||||
xi_0 = math_expand(pl%get_as1dReal('xi_0', requiredSize=size(N_sl)),N_sl)
|
||||
|
|
|
|||
|
|
@ -249,30 +249,30 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
ini%N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
|
||||
prm%sum_N_sl = sum(abs(ini%N_sl))
|
||||
slipActive: if (prm%sum_N_sl > 0) then
|
||||
prm%systems_sl = lattice_labels_slip(ini%N_sl,phase_lattice(ph))
|
||||
prm%P_sl = lattice_SchmidMatrix_slip(ini%N_sl,phase_lattice(ph), phase_cOverA(ph))
|
||||
prm%systems_sl = crystal_labels_slip(ini%N_sl,phase_lattice(ph))
|
||||
prm%P_sl = crystal_SchmidMatrix_slip(ini%N_sl,phase_lattice(ph), phase_cOverA(ph))
|
||||
|
||||
if (phase_lattice(ph) == 'cI') then
|
||||
a = pl%get_as1dReal('a_nonSchmid',defaultVal = emptyRealArray)
|
||||
if (size(a) > 0) prm%nonSchmidActive = .true.
|
||||
prm%P_nS_pos = lattice_nonSchmidMatrix(ini%N_sl,a,+1)
|
||||
prm%P_nS_neg = lattice_nonSchmidMatrix(ini%N_sl,a,-1)
|
||||
prm%P_nS_pos = crystal_nonSchmidMatrix(ini%N_sl,a,+1)
|
||||
prm%P_nS_neg = crystal_nonSchmidMatrix(ini%N_sl,a,-1)
|
||||
else
|
||||
prm%P_nS_pos = prm%P_sl
|
||||
prm%P_nS_neg = prm%P_sl
|
||||
end if
|
||||
|
||||
prm%h_sl_sl = lattice_interaction_SlipBySlip(ini%N_sl,pl%get_as1dReal('h_sl-sl'), &
|
||||
prm%h_sl_sl = crystal_interaction_SlipBySlip(ini%N_sl,pl%get_as1dReal('h_sl-sl'), &
|
||||
phase_lattice(ph))
|
||||
|
||||
prm%forestProjection_edge = lattice_forestProjection_edge (ini%N_sl,phase_lattice(ph),&
|
||||
prm%forestProjection_edge = crystal_forestProjection_edge (ini%N_sl,phase_lattice(ph),&
|
||||
phase_cOverA(ph))
|
||||
prm%forestProjection_screw = lattice_forestProjection_screw(ini%N_sl,phase_lattice(ph),&
|
||||
prm%forestProjection_screw = crystal_forestProjection_screw(ini%N_sl,phase_lattice(ph),&
|
||||
phase_cOverA(ph))
|
||||
|
||||
prm%slip_direction = lattice_slip_direction (ini%N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%slip_transverse = lattice_slip_transverse(ini%N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%slip_normal = lattice_slip_normal (ini%N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%slip_direction = crystal_slip_direction (ini%N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%slip_transverse = crystal_slip_transverse(ini%N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%slip_normal = crystal_slip_normal (ini%N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
! collinear systems (only for octahedral slip systems in fcc)
|
||||
allocate(prm%colinearSystem(prm%sum_N_sl), source = -1)
|
||||
|
|
|
|||
|
|
@ -149,21 +149,21 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
prm%h_int = math_expand(pl%get_as1dReal('h_int', requiredSize=size(N_sl), &
|
||||
defaultVal=[(0.0_pREAL,i=1,size(N_sl))]),N_sl)
|
||||
|
||||
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
|
||||
prm%h_sl_sl = crystal_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
|
||||
|
||||
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%P_sl = crystal_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
if (phase_lattice(ph) == 'cI') then
|
||||
a = pl%get_as1dReal('a_nonSchmid',defaultVal=emptyRealArray)
|
||||
if (size(a) > 0) prm%nonSchmidActive = .true.
|
||||
prm%P_nS_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
|
||||
prm%P_nS_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
|
||||
prm%P_nS_pos = crystal_nonSchmidMatrix(N_sl,a,+1)
|
||||
prm%P_nS_neg = crystal_nonSchmidMatrix(N_sl,a,-1)
|
||||
else
|
||||
prm%P_nS_pos = prm%P_sl
|
||||
prm%P_nS_neg = prm%P_sl
|
||||
end if
|
||||
|
||||
prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
|
||||
prm%systems_sl = crystal_labels_slip(N_sl,phase_lattice(ph))
|
||||
|
||||
! sanity checks
|
||||
if ( prm%dot_gamma_0_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0_sl'
|
||||
|
|
@ -196,11 +196,11 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
|
||||
xi_0_tw = math_expand(pl%get_as1dReal('xi_0_tw',requiredSize=size(N_tw)),N_tw)
|
||||
|
||||
prm%gamma_char = lattice_characteristicShear_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,pl%get_as1dReal('h_tw-tw'),phase_lattice(ph))
|
||||
prm%gamma_char = crystal_characteristicShear_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%h_tw_tw = crystal_interaction_TwinByTwin(N_tw,pl%get_as1dReal('h_tw-tw'),phase_lattice(ph))
|
||||
|
||||
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%systems_tw = lattice_labels_twin(N_tw,phase_lattice(ph))
|
||||
prm%P_tw = crystal_SchmidMatrix_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
prm%systems_tw = crystal_labels_twin(N_tw,phase_lattice(ph))
|
||||
|
||||
! sanity checks
|
||||
if (prm%dot_gamma_0_tw <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0_tw'
|
||||
|
|
@ -216,9 +216,9 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
! slip-twin related parameters
|
||||
slipAndTwinActive: if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
|
||||
prm%h_0_tw_sl = pl%get_asReal('h_0_tw-sl')
|
||||
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,pl%get_as1dReal('h_sl-tw'), &
|
||||
prm%h_sl_tw = crystal_interaction_SlipByTwin(N_sl,N_tw,pl%get_as1dReal('h_sl-tw'), &
|
||||
phase_lattice(ph))
|
||||
prm%h_tw_sl = lattice_interaction_TwinBySlip(N_tw,N_sl,pl%get_as1dReal('h_tw-sl'), &
|
||||
prm%h_tw_sl = crystal_interaction_TwinBySlip(N_tw,N_sl,pl%get_as1dReal('h_tw-sl'), &
|
||||
phase_lattice(ph))
|
||||
else slipAndTwinActive
|
||||
allocate(prm%h_sl_tw(prm%sum_N_sl,prm%sum_N_tw)) ! at least one dimension is 0
|
||||
|
|
|
|||
|
|
@ -112,7 +112,7 @@ module subroutine thermal_init(phases)
|
|||
param(ph)%C_p = thermal%get_asReal('C_p')
|
||||
param(ph)%K(1,1) = thermal%get_asReal('K_11')
|
||||
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asReal('K_33')
|
||||
param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph))
|
||||
param(ph)%K = crystal_symmetrize_33(param(ph)%K,phase_lattice(ph))
|
||||
|
||||
#if defined(__GFORTRAN__)
|
||||
param(ph)%output = output_as1dStr(thermal)
|
||||
|
|
|
|||
Loading…
Reference in New Issue