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migrating to submodules

This commit is contained in:
Martin Diehl 2019-12-02 21:51:25 +01:00
parent 226b715c46
commit 4ee2e551b8
3 changed files with 126 additions and 79 deletions
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100
src/constitutive.f90
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@ -12,11 +12,8 @@ module constitutive
use config use config
use material use material
use results use results
use HDF5_utilities
use lattice use lattice
use discretization use discretization
use plastic_dislotwin
use plastic_disloucla
use plastic_nonlocal use plastic_nonlocal
use geometry_plastic_nonlocal use geometry_plastic_nonlocal
use source_thermal_dissipation use source_thermal_dissipation
@ -37,7 +34,6 @@ module constitutive
constitutive_source_maxSizePostResults, & constitutive_source_maxSizePostResults, &
constitutive_source_maxSizeDotState constitutive_source_maxSizeDotState
interface interface
module subroutine plastic_none_init module subroutine plastic_none_init
@ -52,6 +48,13 @@ module constitutive
module subroutine plastic_kinehardening_init module subroutine plastic_kinehardening_init
end subroutine plastic_kinehardening_init end subroutine plastic_kinehardening_init
module subroutine plastic_dislotwin_init
end subroutine plastic_dislotwin_init
module subroutine plastic_disloUCLA_init
end subroutine plastic_disloUCLA_init
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
@ -91,6 +94,36 @@ module constitutive
of of
end subroutine plastic_kinehardening_LpAndItsTangent end subroutine plastic_kinehardening_LpAndItsTangent
module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_dislotwin_LpAndItsTangent
pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloUCLA_LpAndItsTangent
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of) module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
@ -130,6 +163,41 @@ module constitutive
of of
end subroutine plastic_kinehardening_dotState end subroutine plastic_kinehardening_dotState
module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_dislotwin_dotState
module subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloUCLA_dotState
module subroutine plastic_dislotwin_dependentState(T,instance,of)
integer, intent(in) :: &
instance, &
of
real(pReal), intent(in) :: &
T
end subroutine plastic_dislotwin_dependentState
module subroutine plastic_disloUCLA_dependentState(instance,of)
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloUCLA_dependentState
module subroutine plastic_kinehardening_deltaState(Mp,instance,of) module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
@ -140,6 +208,16 @@ module constitutive
end subroutine plastic_kinehardening_deltaState end subroutine plastic_kinehardening_deltaState
module function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
real(pReal), dimension(6,6) :: &
homogenizedC
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
end function plastic_dislotwin_homogenizedC
module subroutine plastic_isotropic_results(instance,group) module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -155,6 +233,16 @@ module constitutive
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_kinehardening_results end subroutine plastic_kinehardening_results
module subroutine plastic_dislotwin_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results
module subroutine plastic_disloUCLA_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_disloUCLA_results
end interface end interface
public :: & public :: &
@ -810,11 +898,11 @@ subroutine constitutive_results
character(len=256) :: group character(len=256) :: group
do p=1,size(config_name_phase) do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p)) group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call HDF5_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic' group = trim(group)//'/plastic'
call HDF5_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
select case(phase_plasticity(p)) select case(phase_plasticity(p))
case(PLASTICITY_ISOTROPIC_ID) case(PLASTICITY_ISOTROPIC_ID)

59
src/plastic_disloUCLA.f90 → src/constitutive_plastic_disloUCLA.f90
View File

@ -5,21 +5,9 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief crystal plasticity model for bcc metals, especially Tungsten !> @brief crystal plasticity model for bcc metals, especially Tungsten
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_disloUCLA submodule(constitutive) plastic_disloUCLA
use prec
use debug
use math
use IO
use material
use config
use lattice
use discretization
use results
implicit none real(pReal), parameter :: &
private
real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
enum, bind(c) enum, bind(c)
@ -33,14 +21,14 @@ module plastic_disloUCLA
tau_pass_ID tau_pass_ID
end enum end enum
type, private :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
aTol_rho, & aTol_rho, &
D, & !< grain size D, & !< grain size
mu, & mu, &
D_0, & !< prefactor for self-diffusion coefficient D_0, & !< prefactor for self-diffusion coefficient
Q_cl !< activation energy for dislocation climb Q_cl !< activation energy for dislocation climb
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
rho_mob_0, & !< initial dislocation density rho_mob_0, & !< initial dislocation density
rho_dip_0, & !< initial dipole density rho_dip_0, & !< initial dipole density
b_sl, & !< magnitude of burgers vector [m] b_sl, & !< magnitude of burgers vector [m]
@ -58,31 +46,31 @@ module plastic_disloUCLA
kink_height, & !< height of the kink pair kink_height, & !< height of the kink pair
w, & !< width of the kink pair w, & !< width of the kink pair
omega !< attempt frequency for kink pair nucleation omega !< attempt frequency for kink pair nucleation
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
h_sl_sl, & !< slip resistance from slip activity h_sl_sl, & !< slip resistance from slip activity
forestProjectionEdge forestProjectionEdge
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
Schmid, & Schmid, &
nonSchmid_pos, & nonSchmid_pos, &
nonSchmid_neg nonSchmid_neg
integer :: & integer :: &
sum_N_sl !< total number of active slip system sum_N_sl !< total number of active slip system
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
N_sl !< number of active slip systems for each family N_sl !< number of active slip systems for each family
integer(kind(undefined_ID)), dimension(:),allocatable :: & integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID !< ID of each post result output outputID !< ID of each post result output
logical :: & logical :: &
dipoleFormation !< flag indicating consideration of dipole formation dipoleFormation !< flag indicating consideration of dipole formation
end type !< container type for internal constitutive parameters end type !< container type for internal constitutive parameters
type, private :: tDisloUCLAState type :: tDisloUCLAState
real(pReal), dimension(:,:), pointer :: & real(pReal), dimension(:,:), pointer :: &
rho_mob, & rho_mob, &
rho_dip, & rho_dip, &
gamma_sl gamma_sl
end type tDisloUCLAState end type tDisloUCLAState
type, private :: tDisloUCLAdependentState type :: tDisloUCLAdependentState
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, & Lambda_sl, &
threshold_stress threshold_stress
@ -90,20 +78,11 @@ module plastic_disloUCLA
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:), private :: param type(tParameters), allocatable, dimension(:) :: param
type(tDisloUCLAState), allocatable, dimension(:), private :: & type(tDisloUCLAState), allocatable, dimension(:) :: &
dotState, & dotState, &
state state
type(tDisloUCLAdependentState), allocatable, dimension(:), private :: dependentState type(tDisloUCLAdependentState), allocatable, dimension(:) :: dependentState
public :: &
plastic_disloUCLA_init, &
plastic_disloUCLA_dependentState, &
plastic_disloUCLA_LpAndItsTangent, &
plastic_disloUCLA_dotState, &
plastic_disloUCLA_results
private :: &
kinetics
contains contains
@ -112,7 +91,7 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_init() module subroutine plastic_disloUCLA_init
integer :: & integer :: &
Ninstance, & Ninstance, &
@ -333,7 +312,7 @@ end subroutine plastic_disloUCLA_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, & pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of) Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
@ -376,7 +355,7 @@ end subroutine plastic_disloUCLA_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dotState(Mp,T,instance,of) module subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -436,7 +415,7 @@ end subroutine plastic_disloUCLA_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state !> @brief calculates derived quantities from state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dependentState(instance,of) module subroutine plastic_disloUCLA_dependentState(instance,of)
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
@ -462,7 +441,7 @@ end subroutine plastic_disloUCLA_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_results(instance,group) module subroutine plastic_disloUCLA_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
integer, intent(in) :: instance integer, intent(in) :: instance
@ -615,4 +594,4 @@ pure subroutine kinetics(Mp,T,instance,of, &
end subroutine kinetics end subroutine kinetics
end module plastic_disloUCLA end submodule plastic_disloUCLA

46
src/plastic_dislotwin.f90 → src/constitutive_plastic_dislotwin.f90
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@ -7,19 +7,7 @@
!> @brief material subroutine incoprorating dislocation and twinning physics !> @brief material subroutine incoprorating dislocation and twinning physics
!> @details to be done !> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_dislotwin submodule(constitutive) plastic_dislotwin
use prec
use debug
use math
use IO
use material
use config
use lattice
use discretization
use results
implicit none
private
real(pReal), parameter :: & real(pReal), parameter :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
@ -156,14 +144,6 @@ module plastic_dislotwin
state state
type(tDislotwinMicrostructure), allocatable, dimension(:) :: dependentState type(tDislotwinMicrostructure), allocatable, dimension(:) :: dependentState
public :: &
plastic_dislotwin_init, &
plastic_dislotwin_homogenizedC, &
plastic_dislotwin_dependentState, &
plastic_dislotwin_LpAndItsTangent, &
plastic_dislotwin_dotState, &
plastic_dislotwin_results
contains contains
@ -171,7 +151,7 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_init module subroutine plastic_dislotwin_init
integer :: & integer :: &
Ninstance, & Ninstance, &
@ -576,14 +556,14 @@ end subroutine plastic_dislotwin_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix !> @brief returns the homogenized elasticity matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) module function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
homogenizedC homogenizedC
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
ip, & !< integration point ip, & !< integration point
el !< element el !< element
integer :: i, & integer :: i, &
of of
@ -615,7 +595,7 @@ end function plastic_dislotwin_homogenizedC
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
@ -730,7 +710,7 @@ end subroutine plastic_dislotwin_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dotState(Mp,T,instance,of) module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress Mp !< Mandel stress
@ -833,7 +813,7 @@ end subroutine plastic_dislotwin_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state !> @brief calculates derived quantities from state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dependentState(T,instance,of) module subroutine plastic_dislotwin_dependentState(T,instance,of)
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
@ -925,11 +905,11 @@ end subroutine plastic_dislotwin_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_results(instance,group) module subroutine plastic_dislotwin_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*) :: group character(len=*), intent(in) :: group
integer :: o integer :: o
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
@ -1183,4 +1163,4 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
end subroutine kinetics_trans end subroutine kinetics_trans
end module plastic_dislotwin end submodule plastic_dislotwin