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initialise Fi correctly for initial field values away from equilibrium

This commit is contained in:
Pratheek Shanthraj 2015-07-24 14:47:18 +00:00
parent 0a5ccb3d91
commit 87d42bf447
6 changed files with 149 additions and 11 deletions
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59
code/constitutive.f90
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@ -23,6 +23,7 @@ module constitutive
constitutive_microstructure, &
constitutive_LpAndItsTangent, &
constitutive_LiAndItsTangent, &
constitutive_initialFi, &
constitutive_TandItsTangent, &
constitutive_collectDotState, &
constitutive_collectDeltaState, &
@ -713,6 +714,64 @@ enddo
end subroutine constitutive_LiAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief collects initial intermediate deformation gradient
!--------------------------------------------------------------------------------------------------
pure function constitutive_initialFi(ipc, ip, el)
use prec, only: &
pReal
use math, only: &
math_I3, &
math_inv33, &
math_mul33x33
use material, only: &
phase_kinematics, &
phase_Nkinematics, &
material_phase, &
KINEMATICS_thermal_expansion_ID, &
KINEMATICS_vacancy_strain_ID, &
KINEMATICS_hydrogen_strain_ID
use kinematics_thermal_expansion, only: &
kinematics_thermal_expansion_initialStrain
use kinematics_vacancy_strain, only: &
kinematics_vacancy_strain_initialStrain
use kinematics_hydrogen_strain, only: &
kinematics_hydrogen_strain_initialStrain
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
constitutive_initialFi !< composite initial intermediate deformation gradient
real(pReal), dimension(3,3) :: &
my_Fi !< individual intermediate deformation gradients
integer(pInt) :: &
kinematics
constitutive_initialFi = math_I3
do kinematics = 1_pInt, phase_Nkinematics(material_phase(ipc,ip,el)) !< Warning: small initial strain assumption
select case (phase_kinematics(kinematics,material_phase(ipc,ip,el)))
case (KINEMATICS_thermal_expansion_ID)
constitutive_initialFi = &
constitutive_initialFi + kinematics_thermal_expansion_initialStrain(ipc, ip, el)
case (KINEMATICS_vacancy_strain_ID)
constitutive_initialFi = &
constitutive_initialFi + kinematics_vacancy_strain_initialStrain(ipc, ip, el)
case (KINEMATICS_hydrogen_strain_ID)
constitutive_initialFi = &
constitutive_initialFi + kinematics_hydrogen_strain_initialStrain(ipc, ip, el)
end select
enddo
end function constitutive_initialFi
!--------------------------------------------------------------------------------------------------
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> the elastic deformation gradient depending on the selected elastic law (so far no case switch

6
code/crystallite.f90
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@ -179,6 +179,7 @@ subroutine crystallite_init
IO_EOF
use material
use constitutive, only: &
constitutive_initialFi, &
constitutive_microstructure ! derived (shortcut) quantities of given state
implicit none
@ -415,10 +416,11 @@ subroutine crystallite_init
myNgrains = homogenization_Ngrains(mesh_element(3,e)) ! look up homogenization-->grainCount
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1_pInt:myNgrains)
crystallite_Fp0(1:3,1:3,g,i,e) = math_EulerToR(material_EulerAngles(1:3,g,i,e)) ! plastic def gradient reflects init orientation
crystallite_Fi0(1:3,1:3,g,i,e) = math_I3
crystallite_Fi0(1:3,1:3,g,i,e) = constitutive_initialFi(g,i,e)
crystallite_F0(1:3,1:3,g,i,e) = math_I3
crystallite_localPlasticity(g,i,e) = phase_localPlasticity(material_phase(g,i,e))
crystallite_Fe(1:3,1:3,g,i,e) = math_transpose33(crystallite_Fp0(1:3,1:3,g,i,e))
crystallite_Fe(1:3,1:3,g,i,e) = math_inv33(math_mul33x33(crystallite_Fi0(1:3,1:3,g,i,e), &
crystallite_Fp0(1:3,1:3,g,i,e))) ! assuming that euler angles are given in internal strain free configuration
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
crystallite_Fi(1:3,1:3,g,i,e) = crystallite_Fi0(1:3,1:3,g,i,e)
crystallite_requested(g,i,e) = .true.

38
code/kinematics_hydrogen_strain.f90
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@ -31,6 +31,7 @@ module kinematics_hydrogen_strain
public :: &
kinematics_hydrogen_strain_init, &
kinematics_hydrogen_strain_initialStrain, &
kinematics_hydrogen_strain_LiAndItsTangent, &
kinematics_hydrogen_strain_ChemPotAndItsTangent
@ -142,6 +143,43 @@ subroutine kinematics_hydrogen_strain_init(fileUnit)
end subroutine kinematics_hydrogen_strain_init
!--------------------------------------------------------------------------------------------------
!> @brief report initial hydrogen strain based on current hydrogen conc deviation from
!> equillibrium (0)
!--------------------------------------------------------------------------------------------------
pure function kinematics_hydrogen_strain_initialStrain(ipc, ip, el)
use math, only: &
math_I3
use material, only: &
material_phase, &
material_homog, &
hydrogenConc, &
hydrogenfluxMapping
use lattice, only: &
lattice_equilibriumHydrogenConcentration
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
kinematics_hydrogen_strain_initialStrain !< initial thermal strain (should be small strain, though)
integer(pInt) :: &
phase, &
homog, offset, instance
phase = material_phase(ipc,ip,el)
instance = kinematics_hydrogen_strain_instance(phase)
homog = material_homog(ip,el)
offset = hydrogenfluxMapping(homog)%p(ip,el)
kinematics_hydrogen_strain_initialStrain = &
(hydrogenConc(homog)%p(offset) - lattice_equilibriumHydrogenConcentration(phase)) * &
kinematics_hydrogen_strain_coeff(instance)* math_I3
end function kinematics_hydrogen_strain_initialStrain
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------

12
code/kinematics_thermal_expansion.f90
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@ -32,7 +32,7 @@ module kinematics_thermal_expansion
! end enum
public :: &
kinematics_thermal_expansion_init, &
kinematics_thermal_expansion_initialFi, &
kinematics_thermal_expansion_initialStrain, &
kinematics_thermal_expansion_LiAndItsTangent
contains
@ -153,14 +153,12 @@ end subroutine kinematics_thermal_expansion_init
!--------------------------------------------------------------------------------------------------
!> @brief report initial thermal strain based on current temperature deviation from reference
!--------------------------------------------------------------------------------------------------
pure function kinematics_thermal_expansion_initialFi(ipc, ip, el)
pure function kinematics_thermal_expansion_initialStrain(ipc, ip, el)
use material, only: &
material_phase, &
material_homog, &
temperature, &
thermalMapping
use math, only: &
math_I3
use lattice, only: &
lattice_thermalExpansion33, &
lattice_referenceTemperature
@ -171,7 +169,7 @@ use math, only: &
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
kinematics_thermal_expansion_initialFi !< initial thermal strain (should be small strain, though)
kinematics_thermal_expansion_initialStrain !< initial thermal strain (should be small strain, though)
integer(pInt) :: &
phase, &
homog, offset
@ -180,11 +178,11 @@ use math, only: &
homog = material_homog(ip,el)
offset = thermalMapping(homog)%p(ip,el)
kinematics_thermal_expansion_initialFi = math_I3 + &
kinematics_thermal_expansion_initialStrain = &
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase)) * &
lattice_thermalExpansion33(1:3,1:3,phase)
end function kinematics_thermal_expansion_initialFi
end function kinematics_thermal_expansion_initialStrain
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient

37
code/kinematics_vacancy_strain.f90
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@ -31,6 +31,7 @@ module kinematics_vacancy_strain
public :: &
kinematics_vacancy_strain_init, &
kinematics_vacancy_strain_initialStrain, &
kinematics_vacancy_strain_LiAndItsTangent, &
kinematics_vacancy_strain_ChemPotAndItsTangent
@ -142,6 +143,42 @@ subroutine kinematics_vacancy_strain_init(fileUnit)
end subroutine kinematics_vacancy_strain_init
!--------------------------------------------------------------------------------------------------
!> @brief report initial vacancy strain based on current vacancy conc deviation from equillibrium
!--------------------------------------------------------------------------------------------------
pure function kinematics_vacancy_strain_initialStrain(ipc, ip, el)
use math, only: &
math_I3
use material, only: &
material_phase, &
material_homog, &
vacancyConc, &
vacancyfluxMapping
use lattice, only: &
lattice_equilibriumVacancyConcentration
implicit none
integer(pInt), intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
kinematics_vacancy_strain_initialStrain !< initial thermal strain (should be small strain, though)
integer(pInt) :: &
phase, &
homog, offset, instance
phase = material_phase(ipc,ip,el)
instance = kinematics_vacancy_strain_instance(phase)
homog = material_homog(ip,el)
offset = vacancyfluxMapping(homog)%p(ip,el)
kinematics_vacancy_strain_initialStrain = &
(vacancyConc(homog)%p(offset) - lattice_equilibriumVacancyConcentration(phase)) * &
kinematics_vacancy_strain_coeff(instance)* math_I3
end function kinematics_vacancy_strain_initialStrain
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------

8
code/lattice.f90
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@ -1041,7 +1041,8 @@ module lattice
lattice_hydrogenSurfaceEnergy, &
lattice_hydrogenVol, &
lattice_referenceTemperature, &
lattice_equilibriumVacancyConcentration
lattice_equilibriumVacancyConcentration, &
lattice_equilibriumHydrogenConcentration
enum, bind(c)
enumerator :: LATTICE_undefined_ID, &
LATTICE_iso_ID, &
@ -1344,8 +1345,9 @@ subroutine lattice_init
allocate(lattice_hydrogenFormationEnergy( Nphases), source=0.0_pReal)
allocate(lattice_hydrogenSurfaceEnergy ( Nphases), source=0.0_pReal)
allocate(lattice_hydrogenVol ( Nphases), source=0.0_pReal)
allocate(lattice_referenceTemperature ( Nphases), source=0.0_pReal)
allocate(lattice_referenceTemperature ( Nphases), source=300.0_pReal)
allocate(lattice_equilibriumVacancyConcentration(Nphases), source=0.0_pReal)
allocate(lattice_equilibriumHydrogenConcentration(Nphases),source=0.0_pReal)
allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal)
@ -1551,6 +1553,8 @@ subroutine lattice_init
lattice_hydrogenfluxMobility33(3,3,section) = IO_floatValue(line,positions,2_pInt)
case ('vacancy_eqcv')
lattice_equilibriumVacancyConcentration(section) = IO_floatValue(line,positions,2_pInt)
case ('hydrogen_eqch')
lattice_equilibriumHydrogenConcentration(section) = IO_floatValue(line,positions,2_pInt)
end select
endif
enddo