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modularizing

This commit is contained in:
Martin Diehl 2021-01-26 01:11:32 +01:00
parent 4f467942ba
commit 912a21f5b6
9 changed files with 192 additions and 167 deletions
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169
src/phase_mechanics.f90
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@ -83,93 +83,6 @@ submodule(constitutive) constitutive_mech
myPlasticity myPlasticity
end function plastic_nonlocal_init end function plastic_nonlocal_init
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,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
integer, intent(in) :: &
instance, &
of
end subroutine plastic_isotropic_LpAndItsTangent
pure module subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,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
integer, intent(in) :: &
instance, &
of
end subroutine plastic_phenopowerlaw_LpAndItsTangent
pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,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
integer, intent(in) :: &
instance, &
of
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_dislotungsten_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_dislotungsten_LpAndItsTangent
module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,instance,of,ip,el)
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) :: &
Temperature
integer, intent(in) :: &
instance, &
of, &
ip, & !< current integration point
el !< current element number
end subroutine plastic_nonlocal_LpAndItsTangent
module subroutine plastic_isotropic_dotState(Mp,instance,of) module subroutine plastic_isotropic_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -267,6 +180,22 @@ submodule(constitutive) constitutive_mech
ip, & ip, &
el el
end subroutine plastic_nonlocal_deltaState end subroutine plastic_nonlocal_deltaState
module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
end subroutine constitutive_plastic_LpAndItsTangents
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics) module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length integer, intent(in) :: kinematics_length
@ -621,72 +550,6 @@ module subroutine constitutive_plastic_dependentState(co, ip, el)
end subroutine constitutive_plastic_dependentState end subroutine constitutive_plastic_dependentState
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: Discuss whether it makes sense if crystallite handles the configuration conversion, i.e.
! Mp in, dLp_dMp out
!--------------------------------------------------------------------------------------------------
subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
real(pReal), dimension(3,3,3,3) :: &
dLp_dMp !< derivative of Lp with respect to Mandel stress
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress work conjugate with Lp
integer :: &
i, j, instance, me, ph
Mp = matmul(matmul(transpose(Fi),Fi),S)
me = material_phasememberAt(co,ip,el)
ph = material_phaseAt(co,el)
instance = phase_plasticityInstance(ph)
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
case (PLASTICITY_NONE_ID) plasticityType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me,ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call plastic_dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me)
end select plasticityType
do i=1,3; do j=1,3
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S)
dLp_dS(i,j,1:3,1:3) = matmul(matmul(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
enddo; enddo
end subroutine constitutive_plastic_LpAndItsTangents
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

162
src/phase_mechanics_plastic.f90 Normal file
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@ -0,0 +1,162 @@
submodule(constitutive:constitutive_mech) plastic
interface
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,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
integer, intent(in) :: &
instance, &
of
end subroutine plastic_isotropic_LpAndItsTangent
pure module subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,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
integer, intent(in) :: &
instance, &
of
end subroutine plastic_phenopowerlaw_LpAndItsTangent
pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,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
integer, intent(in) :: &
instance, &
of
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_dislotungsten_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_dislotungsten_LpAndItsTangent
module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,instance,of,ip,el)
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) :: &
Temperature
integer, intent(in) :: &
instance, &
of, &
ip, & !< current integration point
el !< current element number
end subroutine plastic_nonlocal_LpAndItsTangent
end interface
contains
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: Discuss whether it makes sense if crystallite handles the configuration conversion, i.e.
! Mp in, dLp_dMp out
!--------------------------------------------------------------------------------------------------
module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
real(pReal), dimension(3,3,3,3) :: &
dLp_dMp !< derivative of Lp with respect to Mandel stress
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress work conjugate with Lp
integer :: &
i, j, instance, me, ph
Mp = matmul(matmul(transpose(Fi),Fi),S)
me = material_phasememberAt(co,ip,el)
ph = material_phaseAt(co,el)
instance = phase_plasticityInstance(ph)
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
case (PLASTICITY_NONE_ID) plasticityType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me,ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call plastic_dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me)
end select plasticityType
do i=1,3; do j=1,3
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S)
dLp_dS(i,j,1:3,1:3) = matmul(matmul(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
enddo; enddo
end subroutine constitutive_plastic_LpAndItsTangents
end submodule plastic

4
src/phase_mechanics_plastic_dislotungsten.f90
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@ -5,7 +5,7 @@
!> @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
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_dislotungsten submodule(constitutive:plastic) dislotungsten
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
@ -547,4 +547,4 @@ pure subroutine kinetics(Mp,T,instance,of, &
end subroutine kinetics end subroutine kinetics
end submodule plastic_dislotungsten end submodule dislotungsten

4
src/phase_mechanics_plastic_dislotwin.f90
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@ -7,7 +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
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_dislotwin submodule(constitutive:plastic) dislotwin
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
@ -1088,4 +1088,4 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
end subroutine kinetics_trans end subroutine kinetics_trans
end submodule plastic_dislotwin end submodule dislotwin

4
src/phase_mechanics_plastic_isotropic.f90
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@ -7,7 +7,7 @@
!! resolving the stress on the slip systems. Will give the response of phenopowerlaw for an !! resolving the stress on the slip systems. Will give the response of phenopowerlaw for an
!! untextured polycrystal !! untextured polycrystal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_isotropic submodule(constitutive:plastic) isotropic
type :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
@ -348,4 +348,4 @@ module subroutine plastic_isotropic_results(instance,group)
end subroutine plastic_isotropic_results end subroutine plastic_isotropic_results
end submodule plastic_isotropic end submodule isotropic

4
src/phase_mechanics_plastic_kinehardening.f90
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@ -5,7 +5,7 @@
!> @brief Phenomenological crystal plasticity using a power law formulation for the shear rates !> @brief Phenomenological crystal plasticity using a power law formulation for the shear rates
!! and a Voce-type kinematic hardening rule !! and a Voce-type kinematic hardening rule
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_kinehardening submodule(constitutive:plastic) kinehardening
type :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
@ -474,4 +474,4 @@ pure subroutine kinetics(Mp,instance,of, &
end subroutine kinetics end subroutine kinetics
end submodule plastic_kinehardening end submodule kinehardening

4
src/phase_mechanics_plastic_none.f90
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@ -4,7 +4,7 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Dummy plasticity for purely elastic material !> @brief Dummy plasticity for purely elastic material
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_none submodule(constitutive:plastic) none
contains contains
@ -50,4 +50,4 @@ module function plastic_none_init() result(myPlasticity)
end function plastic_none_init end function plastic_none_init
end submodule plastic_none end submodule none

4
src/phase_mechanics_plastic_nonlocal.f90
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@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine for plasticity including dislocation flux !> @brief material subroutine for plasticity including dislocation flux
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_nonlocal submodule(constitutive:plastic) nonlocal
use geometry_plastic_nonlocal, only: & use geometry_plastic_nonlocal, only: &
nIPneighbors => geometry_plastic_nonlocal_nIPneighbors, & nIPneighbors => geometry_plastic_nonlocal_nIPneighbors, &
IPneighborhood => geometry_plastic_nonlocal_IPneighborhood, & IPneighborhood => geometry_plastic_nonlocal_IPneighborhood, &
@ -1834,4 +1834,4 @@ pure function getRho0(instance,of,ip,el)
end function getRho0 end function getRho0
end submodule plastic_nonlocal end submodule nonlocal

4
src/phase_mechanics_plastic_phenopowerlaw.f90
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@ -4,7 +4,7 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief phenomenological crystal plasticity formulation using a powerlaw fitting !> @brief phenomenological crystal plasticity formulation using a powerlaw fitting
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_mech) plastic_phenopowerlaw submodule(constitutive:plastic) phenopowerlaw
type :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
@ -543,4 +543,4 @@ pure subroutine kinetics_twin(Mp,instance,of,&
end subroutine kinetics_twin end subroutine kinetics_twin
end submodule plastic_phenopowerlaw end submodule phenopowerlaw