From a4584fecd2dda1193c703db91b91602194c95940 Mon Sep 17 00:00:00 2001 From: Pratheek Shanthraj Date: Tue, 25 Nov 2014 20:13:33 +0000 Subject: [PATCH] potential driving force for conservative cahn hilliard vacancy diffusion --- code/constitutive.f90 | 39 +++++++++++++++++++++-- code/homogenization.f90 | 63 ++++++++++++++++++++++++++++++------- code/vacancy_generation.f90 | 32 +++++++++++++++++++ 3 files changed, 120 insertions(+), 14 deletions(-) diff --git a/code/constitutive.f90 b/code/constitutive.f90 index e42b73923..9dc3da19f 100644 --- a/code/constitutive.f90 +++ b/code/constitutive.f90 @@ -48,6 +48,7 @@ module constitutive constitutive_getVacancyConcentration, & constitutive_getVacancyDiffusion33, & constitutive_getVacancyMobility33, & + constitutive_getVacancyPotentialDrivingForce, & constitutive_postResults private :: & @@ -1730,8 +1731,6 @@ end function constitutive_getVacancyDiffusion33 function constitutive_getVacancyMobility33(ipc, ip, el) use prec, only: & pReal - use lattice, only: & - lattice_VacancyDiffusion33 use material, only: & material_phase, & LOCAL_VACANCY_generation_ID, & @@ -1762,6 +1761,42 @@ function constitutive_getVacancyMobility33(ipc, ip, el) end function constitutive_getVacancyMobility33 +!-------------------------------------------------------------------------------------------------- +!> @brief returns vacancy chemical potential driving force +!-------------------------------------------------------------------------------------------------- +real(pReal) function constitutive_getVacancyPotentialDrivingForce(ipc, ip, el) + use prec, only: & + pReal + use material, only: & + material_phase, & + LOCAL_VACANCY_generation_ID, & + phase_vacancy + use vacancy_generation, only: & + vacancy_generation_getVacancyPotentialDrivingForce + + implicit none + integer(pInt), intent(in) :: & + ipc, & !< grain number + ip, & !< integration point number + el !< element number + real(pReal), dimension(3,3) :: & + constitutive_getVacancyMobility33 + real(pReal), dimension(:), allocatable :: & + accumulatedSlip + integer(pInt) :: & + nSlip + + select case(phase_vacancy(material_phase(ipc,ip,el))) + case (LOCAL_VACANCY_generation_ID) + call constitutive_getAccumulatedSlip(nSlip,accumulatedSlip,ipc,ip,el) + constitutive_getVacancyMobility33 = & + vacancy_generation_getVacancyPotentialDrivingForce(constitutive_getDamage(ipc, ip, el), & + ipc,ip,el) + + end select + +end function constitutive_getVacancyPotentialDrivingForce + !-------------------------------------------------------------------------------------------------- !> @brief returns accumulated slip on each system defined !-------------------------------------------------------------------------------------------------- diff --git a/code/homogenization.f90 b/code/homogenization.f90 index 9a1dd2999..96ca08b61 100644 --- a/code/homogenization.f90 +++ b/code/homogenization.f90 @@ -74,8 +74,9 @@ module homogenization field_getThermalConductivity33, & field_getMassDensity, & field_getSpecificHeat, & - field_getVacancyMobility, & + field_getVacancyMobility33, & field_getVacancyDiffusion33, & + field_getVacancyPotentialDrivingForce, & materialpoint_postResults, & field_postResults private :: & @@ -1104,8 +1105,6 @@ end function field_getDamageMobility function field_getVacancyDiffusion33(ip,el) use mesh, only: & mesh_element - use lattice, only: & - lattice_vacancyDiffusion33 use material, only: & material_homog, & field_vacancy_type, & @@ -1140,20 +1139,59 @@ function field_getVacancyDiffusion33(ip,el) homogenization_Ngrains(mesh_element(3,el)) end function field_getVacancyDiffusion33 + !-------------------------------------------------------------------------------------------------- !> @brief Returns average mobility for vacancy field at each integration point !-------------------------------------------------------------------------------------------------- -real(pReal) function field_getVacancyMobility(ip,el) +function field_getVacancyMobility33(ip,el) use mesh, only: & mesh_element - use lattice, only: & - lattice_vacancyMobility use material, only: & - material_phase, & material_homog, & field_vacancy_type, & FIELD_VACANCY_NONLOCAL_ID, & homogenization_Ngrains + use constitutive, only: & + constitutive_getVacancyMobility33 + + implicit none + integer(pInt), intent(in) :: & + ip, & !< integration point number + el !< element number + real(pReal), dimension(3,3) :: & + field_getVacancyMobility33 + integer(pInt) :: & + ipc + + + field_getVacancyMobility33 = 0.0_pReal + + select case(field_vacancy_type(material_homog(ip,el))) + case (FIELD_VACANCY_NONLOCAL_ID) + do ipc = 1, homogenization_Ngrains(mesh_element(3,el)) + field_getVacancyMobility33 = field_getVacancyMobility33 + constitutive_getVacancyMobility33(ipc,ip,el) + enddo + + end select + + field_getVacancyMobility33 = field_getVacancyMobility33/ & + homogenization_Ngrains(mesh_element(3,el)) + +end function field_getVacancyMobility33 + +!-------------------------------------------------------------------------------------------------- +!> @brief Returns average driving for vacancy chemical potential at each integration point +!-------------------------------------------------------------------------------------------------- +real(pReal) function field_getVacancyPotentialDrivingForce(ip,el) + use mesh, only: & + mesh_element + use material, only: & + material_homog, & + field_vacancy_type, & + FIELD_VACANCY_NONLOCAL_ID, & + homogenization_Ngrains + use constitutive, only: & + constitutive_getVacancyPotentialDrivingForce implicit none integer(pInt), intent(in) :: & @@ -1163,20 +1201,21 @@ real(pReal) function field_getVacancyMobility(ip,el) ipc - field_getVacancyMobility =0.0_pReal + field_getVacancyPotentialDrivingForce = 0.0_pReal select case(field_vacancy_type(material_homog(ip,el))) case (FIELD_VACANCY_NONLOCAL_ID) do ipc = 1, homogenization_Ngrains(mesh_element(3,el)) - field_getVacancyMobility = field_getVacancyMobility + lattice_VacancyMobility(material_phase(ipc,ip,el)) + field_getVacancyPotentialDrivingForce = field_getVacancyPotentialDrivingForce + & + constitutive_getVacancyPotentialDrivingForce(ipc,ip,el) enddo end select - field_getVacancyMobility = field_getVacancyMobility/ & - homogenization_Ngrains(mesh_element(3,el)) + field_getVacancyPotentialDrivingForce = field_getVacancyPotentialDrivingForce/ & + homogenization_Ngrains(mesh_element(3,el)) -end function field_getVacancyMobility +end function field_getVacancyPotentialDrivingForce !-------------------------------------------------------------------------------------------------- !> @brief ToDo diff --git a/code/vacancy_generation.f90 b/code/vacancy_generation.f90 index e132050d3..efd87eac3 100644 --- a/code/vacancy_generation.f90 +++ b/code/vacancy_generation.f90 @@ -55,6 +55,7 @@ module vacancy_generation vacancy_generation_getConcentration, & vacancy_generation_getVacancyDiffusion33, & vacancy_generation_getVacancyMobility33, & + vacancy_generation_getVacancyPotentialDrivingForce, & vacancy_generation_postResults contains @@ -427,6 +428,8 @@ end function vacancy_generation_getVacancyDiffusion33 !> @brief returns generation vacancy mobility tensor !-------------------------------------------------------------------------------------------------- function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperature,ipc,ip,el) + use math, only: & + math_I3 use material, only: & mappingConstitutive, & phase_vacancyInstance @@ -451,6 +454,7 @@ function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperatu instance = phase_vacancyInstance(phase) vacancy_generation_getVacancyMobility33 = & + math_I3* & vacancy_generation_surfaceEnergy(instance)* & vacancy_generation_diffusionCoeff0(instance)* & exp(-vacancy_generation_migrationEnergy(instance)/(kB*temperature))/ & @@ -458,6 +462,34 @@ function vacancy_generation_getVacancyMobility33(nSlip,accumulatedSlip,temperatu end function vacancy_generation_getVacancyMobility33 +!-------------------------------------------------------------------------------------------------- +!> @brief returns generation vacancy mobility tensor +!-------------------------------------------------------------------------------------------------- +real(pReal) function vacancy_generation_getVacancyPotentialDrivingForce(damage,ipc,ip,el) + use material, only: & + mappingConstitutive, & + phase_vacancyInstance + + implicit none + integer(pInt), intent(in) :: & + ipc, & !< grain number + ip, & !< integration point number + el !< element number + real(pReal), intent(in) :: & + damage + integer(pInt) :: & + phase, constituent, instance + + phase = mappingConstitutive(2,ipc,ip,el) + constituent = mappingConstitutive(1,ipc,ip,el) + instance = phase_vacancyInstance(phase) + + vacancy_generation_getVacancyPotentialDrivingForce = & + 1.0_pReal - damage - damage*damage*vacancy_generation_formationEnergy(instance)/ & + vacancy_generation_surfaceEnergy(instance) + +end function vacancy_generation_getVacancyPotentialDrivingForce + !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !--------------------------------------------------------------------------------------------------