Merge branch 'separate-thermal-homog' into 'development'
Separate thermal homog See merge request damask/DAMASK!323
This commit is contained in:
Franz Roters
commit
388e233486
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@ -365,7 +365,7 @@ subroutine flux(f,ts,n,time)
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f
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f(2) = 0.0_pReal
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call thermal_conduction_getSource(f(1), ts(3), n(3),mesh_FEM2DAMASK_elem(n(1)))
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call thermal_conduction_getSource(f(1), n(3),mesh_FEM2DAMASK_elem(n(1)))
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end subroutine flux
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@ -120,19 +120,15 @@ module constitutive
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integer, intent(in) :: ph, me
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end subroutine mech_initializeRestorationPoints
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module subroutine thermal_initializeRestorationPoints(ph,me)
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module subroutine constitutive_thermal_initializeRestorationPoints(ph,me)
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integer, intent(in) :: ph, me
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end subroutine thermal_initializeRestorationPoints
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end subroutine constitutive_thermal_initializeRestorationPoints
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module subroutine mech_windForward(ph,me)
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integer, intent(in) :: ph, me
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end subroutine mech_windForward
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module subroutine thermal_windForward(ph,me)
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integer, intent(in) :: ph, me
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end subroutine thermal_windForward
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module subroutine mech_forward()
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end subroutine mech_forward
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@ -146,10 +142,6 @@ module constitutive
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logical, intent(in) :: includeL
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end subroutine mech_restore
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module subroutine thermal_restore(ip,el)
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integer, intent(in) :: ip, el
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end subroutine thermal_restore
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module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
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real(pReal), intent(in) :: dt
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@ -207,21 +199,20 @@ module constitutive
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integer, intent(in) :: co, ip, el
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end subroutine constitutive_mech_setF
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module subroutine constitutive_thermal_setT(T,co,ip,el)
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module subroutine constitutive_thermal_setT(T,co,ce)
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real(pReal), intent(in) :: T
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integer, intent(in) :: co, ip, el
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integer, intent(in) :: co, ce
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end subroutine constitutive_thermal_setT
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! == cleaned:end ===================================================================================
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module function integrateThermalState(Delta_t,co,ip,el) result(broken)
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module function thermal_stress(Delta_t,ph,me) result(converged_)
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real(pReal), intent(in) :: Delta_t
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integer, intent(in) :: &
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el, & !< element index in element loop
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ip, & !< integration point index in ip loop
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co !< grain index in grain loop
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logical :: broken
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end function integrateThermalState
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integer, intent(in) :: ph, me
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logical :: converged_
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end function thermal_stress
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module function integrateDamageState(dt,co,ip,el) result(broken)
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real(pReal), intent(in) :: dt
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@ -283,12 +274,10 @@ module constitutive
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dPhiDot_dPhi
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end subroutine constitutive_damage_getRateAndItsTangents
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module subroutine constitutive_thermal_getRate(TDot, T,ip,el)
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module subroutine constitutive_thermal_getRate(TDot, ip,el)
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integer, intent(in) :: &
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in) :: &
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T
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real(pReal), intent(out) :: &
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TDot
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end subroutine constitutive_thermal_getRate
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@ -394,18 +383,19 @@ module constitutive
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converged, &
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crystallite_init, &
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crystallite_stress, &
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thermal_stress, &
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constitutive_mech_dPdF, &
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crystallite_orientations, &
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crystallite_push33ToRef, &
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constitutive_restartWrite, &
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constitutive_restartRead, &
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integrateThermalState, &
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integrateDamageState, &
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constitutive_thermal_setT, &
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constitutive_mech_getP, &
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constitutive_mech_setF, &
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constitutive_mech_getF, &
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constitutive_initializeRestorationPoints, &
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constitutive_thermal_initializeRestorationPoints, &
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constitutive_windForward, &
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KINEMATICS_UNDEFINED_ID ,&
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KINEMATICS_CLEAVAGE_OPENING_ID, &
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@ -553,7 +543,6 @@ subroutine constitutive_restore(ip,el,includeL)
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enddo
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call mech_restore(ip,el,includeL)
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call thermal_restore(ip,el)
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end subroutine constitutive_restore
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@ -720,7 +709,6 @@ subroutine constitutive_initializeRestorationPoints(ip,el)
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me = material_phaseMemberAt(co,ip,el)
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call mech_initializeRestorationPoints(ph,me)
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call thermal_initializeRestorationPoints(ph,me)
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do so = 1, size(damageState(ph)%p)
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damageState(ph)%p(so)%partitionedState0(:,me) = damageState(ph)%p(so)%state0(:,me)
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@ -750,7 +738,6 @@ subroutine constitutive_windForward(ip,el)
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me = material_phaseMemberAt(co,ip,el)
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call mech_windForward(ph,me)
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call thermal_windForward(ph,me)
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do so = 1, phase_Nsources(material_phaseAt(co,el))
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damageState(ph)%p(so)%partitionedState0(:,me) = damageState(ph)%p(so)%state(:,me)
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@ -599,20 +599,18 @@ module subroutine constitutive_plastic_dependentState(co, ip, el)
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el !< element
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integer :: &
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ho, & !< homogenization
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tme, & !< thermal member position
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ph, &
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instance, me
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ho = material_homogenizationAt(el)
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tme = material_homogenizationMemberAt(ip,el)
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me = material_phasememberAt(co,ip,el)
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instance = phase_plasticityInstance(material_phaseAt(co,el))
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ph = material_phaseAt(co,el)
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me = material_phasememberAt(co,ip,el)
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instance = phase_plasticityInstance(ph)
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plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
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case (PLASTICITY_DISLOTWIN_ID) plasticityType
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call plastic_dislotwin_dependentState(temperature(ho)%p(tme),instance,me)
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call plastic_dislotwin_dependentState(thermal_T(ph,me),instance,me)
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case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
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call plastic_dislotungsten_dependentState(instance,me)
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@ -650,17 +648,13 @@ subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
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real(pReal), dimension(3,3) :: &
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Mp !< Mandel stress work conjugate with Lp
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integer :: &
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ho, & !< homogenization
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tme !< thermal member position
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integer :: &
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i, j, instance, me
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i, j, instance, me, ph
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ho = material_homogenizationAt(el)
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tme = material_homogenizationMemberAt(ip,el)
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Mp = matmul(matmul(transpose(Fi),Fi),S)
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me = material_phasememberAt(co,ip,el)
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instance = phase_plasticityInstance(material_phaseAt(co,el))
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ph = material_phaseAt(co,el)
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instance = phase_plasticityInstance(ph)
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plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
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@ -678,13 +672,13 @@ subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
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call plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
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case (PLASTICITY_NONLOCAL_ID) plasticityType
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call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, temperature(ho)%p(tme),instance,me,ip,el)
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call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me,ip,el)
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case (PLASTICITY_DISLOTWIN_ID) plasticityType
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call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,me)
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call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me)
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case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
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call plastic_dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,me)
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call plastic_dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),instance,me)
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end select plasticityType
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@ -700,52 +694,49 @@ end subroutine constitutive_plastic_LpAndItsTangents
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!--------------------------------------------------------------------------------------------------
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!> @brief contains the constitutive equation for calculating the rate of change of microstructure
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!--------------------------------------------------------------------------------------------------
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function mech_collectDotState(subdt,co,ip,el,ph,of) result(broken)
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function mech_collectDotState(subdt,co,ip,el,ph,me) result(broken)
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integer, intent(in) :: &
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co, & !< component-ID of integration point
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co, & !< component-ID of integration point
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ip, & !< integration point
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el, & !< element
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ph, &
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of
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me
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real(pReal), intent(in) :: &
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subdt !< timestep
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real(pReal), dimension(3,3) :: &
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Mp
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integer :: &
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ho, & !< homogenization
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tme, & !< thermal member position
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instance
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logical :: broken
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ho = material_homogenizationAt(el)
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tme = material_homogenizationMemberAt(ip,el)
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instance = phase_plasticityInstance(ph)
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Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,of)),&
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constitutive_mech_Fi(ph)%data(1:3,1:3,of)),constitutive_mech_S(ph)%data(1:3,1:3,of))
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Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,me)),&
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constitutive_mech_Fi(ph)%data(1:3,1:3,me)),constitutive_mech_S(ph)%data(1:3,1:3,me))
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plasticityType: select case (phase_plasticity(ph))
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case (PLASTICITY_ISOTROPIC_ID) plasticityType
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call plastic_isotropic_dotState(Mp,instance,of)
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call plastic_isotropic_dotState(Mp,instance,me)
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case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
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call plastic_phenopowerlaw_dotState(Mp,instance,of)
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call plastic_phenopowerlaw_dotState(Mp,instance,me)
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case (PLASTICITY_KINEHARDENING_ID) plasticityType
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call plastic_kinehardening_dotState(Mp,instance,of)
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call plastic_kinehardening_dotState(Mp,instance,me)
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case (PLASTICITY_DISLOTWIN_ID) plasticityType
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call plastic_dislotwin_dotState(Mp,temperature(ho)%p(tme),instance,of)
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call plastic_dislotwin_dotState(Mp,thermal_T(ph,me),instance,me)
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case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
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call plastic_disloTungsten_dotState(Mp,temperature(ho)%p(tme),instance,of)
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call plastic_disloTungsten_dotState(Mp,thermal_T(ph,me),instance,me)
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case (PLASTICITY_NONLOCAL_ID) plasticityType
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call plastic_nonlocal_dotState(Mp,temperature(ho)%p(tme),subdt,instance,of,ip,el)
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call plastic_nonlocal_dotState(Mp,thermal_T(ph,me),subdt,instance,me,ip,el)
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end select plasticityType
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broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,of)))
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broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,me)))
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end function mech_collectDotState
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@ -1633,9 +1624,6 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
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do so = 1, phase_Nsources(ph)
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damageState(ph)%p(so)%subState0(:,me) = damageState(ph)%p(so)%state(:,me)
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enddo
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do so = 1, thermal_Nsources(ph)
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thermalState(ph)%p(so)%subState0(:,me) = thermalState(ph)%p(so)%state(:,me)
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enddo
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endif
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!--------------------------------------------------------------------------------------------------
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! cut back (reduced time and restore)
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@ -1652,9 +1640,6 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
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do so = 1, phase_Nsources(ph)
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damageState(ph)%p(so)%state(:,me) = damageState(ph)%p(so)%subState0(:,me)
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enddo
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do so = 1, thermal_Nsources(ph)
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thermalState(ph)%p(so)%state(:,me) = thermalState(ph)%p(so)%subState0(:,me)
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enddo
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todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)
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endif
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@ -1668,7 +1653,6 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
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constitutive_mech_Fp(ph)%data(1:3,1:3,me))))
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converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * dt,co,ip,el)
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converged_ = converged_ .and. .not. integrateDamageState(subStep * dt,co,ip,el)
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converged_ = converged_ .and. .not. integrateThermalState(subStep * dt,co,ip,el)
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endif
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enddo cutbackLooping
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@ -86,7 +86,7 @@ module subroutine thermal_init(phases)
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Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
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allocate(current(ph)%T(Nconstituents))
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allocate(current(ph)%T(Nconstituents),source=300.0_pReal)
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phase => phases%get(ph)
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if(phase%contains('thermal')) then
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thermal => phase%get('thermal')
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@ -127,13 +127,11 @@ end subroutine thermal_init
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!----------------------------------------------------------------------------------------------
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!< @brief calculates thermal dissipation rate
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!----------------------------------------------------------------------------------------------
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module subroutine constitutive_thermal_getRate(TDot, T, ip, el)
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module subroutine constitutive_thermal_getRate(TDot, ip, el)
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integer, intent(in) :: &
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in) :: &
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T !< plastic velocity gradient
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real(pReal), intent(out) :: &
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TDot
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@ -197,30 +195,37 @@ function constitutive_thermal_collectDotState(ph,me) result(broken)
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end function constitutive_thermal_collectDotState
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module function thermal_stress(Delta_t,ph,me) result(converged_)
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real(pReal), intent(in) :: Delta_t
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integer, intent(in) :: ph, me
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logical :: converged_
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integer :: so
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do so = 1, thermal_Nsources(ph)
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thermalState(ph)%p(so)%state(:,me) = thermalState(ph)%p(so)%subState0(:,me)
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enddo
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converged_ = .not. integrateThermalState(Delta_t,ph,me)
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end function thermal_stress
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate state with 1st order explicit Euler method
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!--------------------------------------------------------------------------------------------------
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module function integrateThermalState(Delta_t,co,ip,el) result(broken)
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function integrateThermalState(Delta_t, ph,me) result(broken)
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real(pReal), intent(in) :: Delta_t
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integer, intent(in) :: &
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el, & !< element index in element loop
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ip, & !< integration point index in ip loop
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co !< grain index in grain loop
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integer, intent(in) :: ph, me
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logical :: &
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broken
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integer :: &
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ph, &
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me, &
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so, &
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sizeDotState
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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broken = constitutive_thermal_collectDotState(ph,me)
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if(broken) return
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@ -233,7 +238,7 @@ module function integrateThermalState(Delta_t,co,ip,el) result(broken)
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end function integrateThermalState
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module subroutine thermal_initializeRestorationPoints(ph,me)
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module subroutine constitutive_thermal_initializeRestorationPoints(ph,me)
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integer, intent(in) :: ph, me
|
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@ -244,24 +249,10 @@ module subroutine thermal_initializeRestorationPoints(ph,me)
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thermalState(ph)%p(so)%partitionedState0(:,me) = thermalState(ph)%p(so)%state0(:,me)
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enddo
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end subroutine thermal_initializeRestorationPoints
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end subroutine constitutive_thermal_initializeRestorationPoints
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|
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module subroutine thermal_windForward(ph,me)
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|
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integer, intent(in) :: ph, me
|
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integer :: so
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do so = 1, size(thermalState(ph)%p)
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thermalState(ph)%p(so)%partitionedState0(:,me) = thermalState(ph)%p(so)%state(:,me)
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enddo
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end subroutine thermal_windForward
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module subroutine thermal_forward()
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integer :: ph, so
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|
|
@ -276,26 +267,6 @@ module subroutine thermal_forward()
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|||
end subroutine thermal_forward
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|
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module subroutine thermal_restore(ip,el)
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||||
|
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integer, intent(in) :: ip, el
|
||||
|
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integer :: co, ph, me, so
|
||||
|
||||
|
||||
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
|
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ph = material_phaseAt(co,el)
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||||
me = material_phaseMemberAt(co,ip,el)
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||||
do so = 1, size(thermalState(ph)%p)
|
||||
thermalState(ph)%p(so)%state(:,me) = thermalState(ph)%p(so)%partitionedState0(:,me)
|
||||
enddo
|
||||
|
||||
enddo
|
||||
|
||||
end subroutine thermal_restore
|
||||
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
!< @brief Get temperature (for use by non-thermal physics)
|
||||
!----------------------------------------------------------------------------------------------
|
||||
|
|
@ -313,13 +284,13 @@ end function thermal_T
|
|||
!----------------------------------------------------------------------------------------------
|
||||
!< @brief Set temperature
|
||||
!----------------------------------------------------------------------------------------------
|
||||
module subroutine constitutive_thermal_setT(T,co,ip,el)
|
||||
module subroutine constitutive_thermal_setT(T,co,ce)
|
||||
|
||||
real(pReal), intent(in) :: T
|
||||
integer, intent(in) :: co, ip, el
|
||||
integer, intent(in) :: ce, co
|
||||
|
||||
|
||||
current(material_phaseAt(co,el))%T(material_phaseMemberAt(co,ip,el)) = T
|
||||
current(material_phaseAt2(co,ce))%T(material_phaseMemberAt2(co,ce)) = T
|
||||
|
||||
end subroutine constitutive_thermal_setT
|
||||
|
||||
|
|
|
|||
|
|
@ -16,10 +16,11 @@ module grid_thermal_spectral
|
|||
use spectral_utilities
|
||||
use discretization_grid
|
||||
use thermal_conduction
|
||||
use homogenization
|
||||
use YAML_types
|
||||
use config
|
||||
use material
|
||||
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
|
|
@ -45,11 +46,11 @@ module grid_thermal_spectral
|
|||
T_stagInc !< field of staggered temperature
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reference diffusion tensor, mobility etc.
|
||||
! reference diffusion tensor, mobility etc.
|
||||
integer :: totalIter = 0 !< total iteration in current increment
|
||||
real(pReal), dimension(3,3) :: K_ref
|
||||
real(pReal) :: mu_ref
|
||||
|
||||
|
||||
public :: &
|
||||
grid_thermal_spectral_init, &
|
||||
grid_thermal_spectral_solution, &
|
||||
|
|
@ -63,8 +64,8 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_thermal_spectral_init
|
||||
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, cell
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, ce
|
||||
DM :: thermal_grid
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
|
@ -93,11 +94,11 @@ subroutine grid_thermal_spectral_init
|
|||
CHKERRQ(ierr)
|
||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
|
@ -115,23 +116,23 @@ subroutine grid_thermal_spectral_init
|
|||
call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(thermal_grid,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
! init fields
|
||||
call DMDAGetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
|
||||
CHKERRQ(ierr)
|
||||
xend = xstart + xend - 1
|
||||
yend = ystart + yend - 1
|
||||
zend = zstart + zend - 1
|
||||
zend = zstart + zend - 1
|
||||
allocate(T_current(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(T_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(T_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
cell = 0
|
||||
ce = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
T_current(i,j,k) = temperature(material_homogenizationAt(cell))%p(material_homogenizationMemberAt(1,cell))
|
||||
ce = ce + 1
|
||||
T_current(i,j,k) = temperature(material_homogenizationAt(ce))%p(material_homogenizationMemberAt(1,ce))
|
||||
T_lastInc(i,j,k) = T_current(i,j,k)
|
||||
T_stagInc(i,j,k) = T_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -143,26 +144,26 @@ subroutine grid_thermal_spectral_init
|
|||
|
||||
end subroutine grid_thermal_spectral_init
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the spectral thermal scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function grid_thermal_spectral_solution(timeinc) result(solution)
|
||||
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc !< increment in time for current solution
|
||||
integer :: i, j, k, cell
|
||||
integer :: i, j, k, ce
|
||||
type(tSolutionState) :: solution
|
||||
PetscInt :: devNull
|
||||
PetscReal :: T_min, T_max, stagNorm, solnNorm
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
solution%converged =.false.
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide availabe data
|
||||
! set module wide availabe data
|
||||
params%timeinc = timeinc
|
||||
|
||||
call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -183,13 +184,14 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
|
|||
solution%stagConverged = stagNorm < max(num%eps_thermal_atol, num%eps_thermal_rtol*solnNorm)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updating thermal state
|
||||
cell = 0
|
||||
! updating thermal state
|
||||
ce = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
ce = ce + 1
|
||||
call thermal_conduction_putTemperatureAndItsRate(T_current(i,j,k), &
|
||||
(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc, &
|
||||
1,cell)
|
||||
1,ce)
|
||||
homogenization_T(ce) = T_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
||||
call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -198,7 +200,7 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
|
|||
print'(/,a)', ' ... thermal conduction converged ..................................'
|
||||
print'(/,a,f8.4,2x,f8.4,2x,f8.4)', ' Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm
|
||||
print'(/,a)', ' ==========================================================================='
|
||||
flush(IO_STDOUT)
|
||||
flush(IO_STDOUT)
|
||||
|
||||
end function grid_thermal_spectral_solution
|
||||
|
||||
|
|
@ -207,36 +209,37 @@ end function grid_thermal_spectral_solution
|
|||
!> @brief forwarding routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_thermal_spectral_forward(cutBack)
|
||||
|
||||
|
||||
logical, intent(in) :: cutBack
|
||||
integer :: i, j, k, cell
|
||||
integer :: i, j, k, ce
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
if (cutBack) then
|
||||
|
||||
if (cutBack) then
|
||||
T_current = T_lastInc
|
||||
T_stagInc = T_lastInc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reverting thermal field state
|
||||
cell = 0
|
||||
! reverting thermal field state
|
||||
ce = 0
|
||||
call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
|
||||
call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current
|
||||
call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
ce = ce + 1
|
||||
call thermal_conduction_putTemperatureAndItsRate(T_current(i,j,k), &
|
||||
(T_current(i,j,k) - &
|
||||
T_lastInc(i,j,k))/params%timeinc, &
|
||||
1,cell)
|
||||
1,ce)
|
||||
homogenization_T(ce) = T_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
else
|
||||
T_lastInc = T_current
|
||||
call updateReference
|
||||
endif
|
||||
|
||||
|
||||
end subroutine grid_thermal_spectral_forward
|
||||
|
||||
|
||||
|
|
@ -244,7 +247,7 @@ end subroutine grid_thermal_spectral_forward
|
|||
!> @brief forms the spectral thermal residual vector
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||
|
||||
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, dimension( &
|
||||
|
|
@ -255,33 +258,33 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
f_scal
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
integer :: i, j, k, cell
|
||||
integer :: i, j, k, ce
|
||||
real(pReal) :: Tdot
|
||||
|
||||
T_current = x_scal
|
||||
T_current = x_scal
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate polarization field
|
||||
scalarField_real = 0.0_pReal
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = T_current
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = T_current
|
||||
call utilities_FFTscalarForward
|
||||
call utilities_fourierScalarGradient !< calculate gradient of temperature field
|
||||
call utilities_FFTvectorBackward
|
||||
cell = 0
|
||||
ce = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
vectorField_real(1:3,i,j,k) = matmul(thermal_conduction_getConductivity(1,cell) - K_ref, &
|
||||
ce = ce + 1
|
||||
vectorField_real(1:3,i,j,k) = matmul(thermal_conduction_getConductivity(1,ce) - K_ref, &
|
||||
vectorField_real(1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
call utilities_FFTvectorForward
|
||||
call utilities_fourierVectorDivergence !< calculate temperature divergence in fourier field
|
||||
call utilities_FFTscalarBackward
|
||||
cell = 0
|
||||
ce = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_getSource(Tdot, T_current(i,j,k), 1, cell)
|
||||
ce = ce + 1
|
||||
call thermal_conduction_getSource(Tdot, 1,ce)
|
||||
scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + Tdot) &
|
||||
+ thermal_conduction_getMassDensity (1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)*(T_lastInc(i,j,k) - &
|
||||
+ thermal_conduction_getMassDensity (1,ce)* &
|
||||
thermal_conduction_getSpecificHeat(1,ce)*(T_lastInc(i,j,k) - &
|
||||
T_current(i,j,k))&
|
||||
+ mu_ref*T_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -291,7 +294,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
call utilities_FFTscalarForward
|
||||
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%timeinc)
|
||||
call utilities_FFTscalarBackward
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
f_scal = T_current - scalarField_real(1:grid(1),1:grid(2),1:grid3)
|
||||
|
|
@ -304,15 +307,15 @@ end subroutine formResidual
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine updateReference
|
||||
|
||||
integer :: i,j,k,cell,ierr
|
||||
|
||||
cell = 0
|
||||
integer :: i,j,k,ce,ierr
|
||||
|
||||
ce = 0
|
||||
K_ref = 0.0_pReal
|
||||
mu_ref = 0.0_pReal
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
K_ref = K_ref + thermal_conduction_getConductivity(1,cell)
|
||||
mu_ref = mu_ref + thermal_conduction_getMassDensity(1,cell)* thermal_conduction_getSpecificHeat(1,cell)
|
||||
ce = ce + 1
|
||||
K_ref = K_ref + thermal_conduction_getConductivity(1,ce)
|
||||
mu_ref = mu_ref + thermal_conduction_getMassDensity(1,ce)* thermal_conduction_getSpecificHeat(1,ce)
|
||||
enddo; enddo; enddo
|
||||
K_ref = K_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,K_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
|
|
|||
|
|
@ -28,7 +28,8 @@ module homogenization
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! General variables for the homogenization at a material point
|
||||
real(pReal), dimension(:), allocatable, public :: &
|
||||
homogenization_T
|
||||
homogenization_T, &
|
||||
homogenization_dot_T
|
||||
real(pReal), dimension(:,:,:), allocatable, public :: &
|
||||
homogenization_F0, & !< def grad of IP at start of FE increment
|
||||
homogenization_F !< def grad of IP to be reached at end of FE increment
|
||||
|
|
@ -69,13 +70,15 @@ module homogenization
|
|||
el !< element number
|
||||
end subroutine mech_partition
|
||||
|
||||
module subroutine thermal_partition(T,ip,el)
|
||||
module subroutine thermal_partition(T,ce)
|
||||
real(pReal), intent(in) :: T
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
el !< element number
|
||||
integer, intent(in) :: ce
|
||||
end subroutine thermal_partition
|
||||
|
||||
module subroutine thermal_homogenize(ip,el)
|
||||
integer, intent(in) :: ip,el
|
||||
end subroutine thermal_homogenize
|
||||
|
||||
module subroutine mech_homogenize(dt,ip,el)
|
||||
real(pReal), intent(in) :: dt
|
||||
integer, intent(in) :: &
|
||||
|
|
@ -161,7 +164,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
NiterationMPstate, &
|
||||
ip, & !< integration point number
|
||||
el, & !< element number
|
||||
myNgrains, co, ce, ho, me
|
||||
myNgrains, co, ce, ho, me, ph
|
||||
real(pReal) :: &
|
||||
subFrac, &
|
||||
subStep
|
||||
|
|
@ -170,8 +173,8 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
logical, dimension(2) :: &
|
||||
doneAndHappy
|
||||
|
||||
|
||||
!$OMP PARALLEL DO PRIVATE(ce,me,ho,myNgrains,NiterationMPstate,subFrac,converged,subStep,doneAndHappy)
|
||||
!$OMP PARALLEL
|
||||
!$OMP DO PRIVATE(ce,me,ho,myNgrains,NiterationMPstate,subFrac,converged,subStep,doneAndHappy)
|
||||
do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
ho = material_homogenizationAt(el)
|
||||
myNgrains = homogenization_Nconstituents(ho)
|
||||
|
|
@ -221,9 +224,8 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
if (subStep > num%subStepMinHomog) doneAndHappy = [.false.,.true.]
|
||||
|
||||
NiterationMPstate = 0
|
||||
convergenceLooping: do while (.not. terminallyIll &
|
||||
.and. .not. doneAndHappy(1) &
|
||||
.and. NiterationMPstate < num%nMPstate)
|
||||
convergenceLooping: do while (.not. (terminallyIll .or. doneAndHappy(1)) &
|
||||
.and. NiterationMPstate < num%nMPstate)
|
||||
NiterationMPstate = NiterationMPstate + 1
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -231,10 +233,9 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
|
||||
if (.not. doneAndHappy(1)) then
|
||||
ce = (el-1)*discretization_nIPs + ip
|
||||
call mech_partition(homogenization_F0(1:3,1:3,ce) &
|
||||
+ (homogenization_F(1:3,1:3,ce)-homogenization_F0(1:3,1:3,ce))&
|
||||
*(subStep+subFrac), &
|
||||
ip,el)
|
||||
call mech_partition( homogenization_F0(1:3,1:3,ce) &
|
||||
+ (homogenization_F(1:3,1:3,ce)-homogenization_F0(1:3,1:3,ce))*(subStep+subFrac), &
|
||||
ip,el)
|
||||
converged = .true.
|
||||
do co = 1, myNgrains
|
||||
converged = converged .and. crystallite_stress(dt*subStep,co,ip,el)
|
||||
|
|
@ -257,24 +258,45 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
enddo cutBackLooping
|
||||
enddo
|
||||
enddo
|
||||
!$OMP END PARALLEL DO
|
||||
!$OMP END DO
|
||||
|
||||
if (.not. terminallyIll ) then
|
||||
!$OMP PARALLEL DO PRIVATE(ho,myNgrains)
|
||||
!$OMP DO PRIVATE(ho,ph,ce)
|
||||
do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
if (terminallyIll) continue
|
||||
ho = material_homogenizationAt(el)
|
||||
do ip = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
ce = (el-1)*discretization_nIPs + ip
|
||||
call thermal_partition(homogenization_T(ce),ce)
|
||||
do co = 1, homogenization_Nconstituents(ho)
|
||||
ph = material_phaseAt(co,el)
|
||||
call constitutive_thermal_initializeRestorationPoints(ph,material_phaseMemberAt(co,ip,el))
|
||||
if (.not. thermal_stress(dt,ph,material_phaseMemberAt(co,ip,el))) then
|
||||
if (.not. terminallyIll) & ! so first signals terminally ill...
|
||||
print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
|
||||
terminallyIll = .true. ! ...and kills all others
|
||||
endif
|
||||
call thermal_homogenize(ip,el)
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
!$OMP END DO
|
||||
|
||||
!$OMP DO PRIVATE(ho)
|
||||
elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
ho = material_homogenizationAt(el)
|
||||
myNgrains = homogenization_Nconstituents(ho)
|
||||
IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
do co = 1, myNgrains
|
||||
do co = 1, homogenization_Nconstituents(ho)
|
||||
call crystallite_orientations(co,ip,el)
|
||||
enddo
|
||||
call mech_homogenize(dt,ip,el)
|
||||
enddo IpLooping3
|
||||
enddo elementLooping3
|
||||
!$OMP END PARALLEL DO
|
||||
!$OMP END DO
|
||||
else
|
||||
print'(/,a,/)', ' << HOMOG >> Material Point terminally ill'
|
||||
endif
|
||||
!$OMP END PARALLEL
|
||||
|
||||
end subroutine materialpoint_stressAndItsTangent
|
||||
|
||||
|
|
|
|||
|
|
@ -15,25 +15,38 @@ module subroutine thermal_init()
|
|||
print'(/,a)', ' <<<+- homogenization_thermal init -+>>>'
|
||||
|
||||
allocate(homogenization_T(discretization_nIPs*discretization_Nelems))
|
||||
|
||||
allocate(homogenization_dot_T(discretization_nIPs*discretization_Nelems))
|
||||
|
||||
end subroutine thermal_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Partition T onto the individual constituents.
|
||||
!> @brief Partition temperature onto the individual constituents.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine thermal_partition(T,ip,el)
|
||||
module subroutine thermal_partition(T,ce)
|
||||
|
||||
real(pReal), intent(in) :: T
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
el !< element number
|
||||
integer, intent(in) :: ce
|
||||
|
||||
integer :: co
|
||||
|
||||
call constitutive_thermal_setT(T,1,ip,el)
|
||||
do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
|
||||
call constitutive_thermal_setT(T,co,ce)
|
||||
enddo
|
||||
|
||||
end subroutine thermal_partition
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Homogenize temperature rates
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine thermal_homogenize(ip,el)
|
||||
|
||||
integer, intent(in) :: ip,el
|
||||
|
||||
call constitutive_thermal_getRate(homogenization_dot_T((el-1)*discretization_nIPs+ip), ip,el)
|
||||
|
||||
end subroutine thermal_homogenize
|
||||
|
||||
|
||||
end submodule homogenization_thermal
|
||||
|
|
|
|||
|
|
@ -51,11 +51,15 @@ module material
|
|||
thermal_initialT !< initial temperature per each homogenization
|
||||
|
||||
integer, dimension(:), allocatable, public, protected :: & ! (elem)
|
||||
material_homogenizationAt !< homogenization ID of each element
|
||||
material_homogenizationAt, & !< homogenization ID of each element
|
||||
material_homogenizationAt2, & !< per cell
|
||||
material_homogenizationMemberAt2 !< cell
|
||||
integer, dimension(:,:), allocatable, public, protected :: & ! (ip,elem)
|
||||
material_homogenizationMemberAt !< position of the element within its homogenization instance
|
||||
integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem)
|
||||
material_phaseAt !< phase ID of each element
|
||||
material_phaseAt, & !< phase ID of each element
|
||||
material_phaseAt2, & !< per constituent,cell
|
||||
material_phaseMemberAt2 !< per constituent, cell
|
||||
integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,IP,elem)
|
||||
material_phaseMemberAt !< position of the element within its phase instance
|
||||
|
||||
|
|
@ -215,8 +219,8 @@ subroutine material_parseMaterial
|
|||
real(pReal) :: &
|
||||
frac
|
||||
integer :: &
|
||||
e, i, c, &
|
||||
h
|
||||
el, ip, co, &
|
||||
h, ce
|
||||
|
||||
materials => config_material%get('material')
|
||||
phases => config_material%get('phase')
|
||||
|
|
@ -241,29 +245,41 @@ subroutine material_parseMaterial
|
|||
allocate(material_phaseAt(homogenization_maxNconstituents,discretization_Nelems),source=0)
|
||||
allocate(material_phaseMemberAt(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems),source=0)
|
||||
|
||||
|
||||
allocate(material_homogenizationAt2(discretization_nIPs*discretization_Nelems),source=0)
|
||||
allocate(material_homogenizationMemberAt2(discretization_nIPs*discretization_Nelems),source=0)
|
||||
allocate(material_phaseAt2(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0)
|
||||
allocate(material_phaseMemberAt2(homogenization_maxNconstituents,discretization_nIPs*discretization_Nelems),source=0)
|
||||
|
||||
allocate(material_orientation0(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems))
|
||||
|
||||
do e = 1, discretization_Nelems
|
||||
material => materials%get(discretization_materialAt(e))
|
||||
do el = 1, discretization_Nelems
|
||||
material => materials%get(discretization_materialAt(el))
|
||||
constituents => material%get('constituents')
|
||||
|
||||
material_homogenizationAt(e) = homogenizations%getIndex(material%get_asString('homogenization'))
|
||||
do i = 1, discretization_nIPs
|
||||
counterHomogenization(material_homogenizationAt(e)) = counterHomogenization(material_homogenizationAt(e)) + 1
|
||||
material_homogenizationMemberAt(i,e) = counterHomogenization(material_homogenizationAt(e))
|
||||
material_homogenizationAt(el) = homogenizations%getIndex(material%get_asString('homogenization'))
|
||||
do ip = 1, discretization_nIPs
|
||||
ce = (el-1)*discretization_nIPs + ip
|
||||
counterHomogenization(material_homogenizationAt(el)) = counterHomogenization(material_homogenizationAt(el)) + 1
|
||||
material_homogenizationMemberAt(ip,el) = counterHomogenization(material_homogenizationAt(el))
|
||||
material_homogenizationAt2(ce) = material_homogenizationAt(el)
|
||||
material_homogenizationMemberAt2(ce) = material_homogenizationMemberAt(ip,el)
|
||||
enddo
|
||||
|
||||
frac = 0.0_pReal
|
||||
do c = 1, constituents%length
|
||||
constituent => constituents%get(c)
|
||||
do co = 1, constituents%length
|
||||
constituent => constituents%get(co)
|
||||
frac = frac + constituent%get_asFloat('fraction')
|
||||
|
||||
material_phaseAt(c,e) = phases%getIndex(constituent%get_asString('phase'))
|
||||
do i = 1, discretization_nIPs
|
||||
counterPhase(material_phaseAt(c,e)) = counterPhase(material_phaseAt(c,e)) + 1
|
||||
material_phaseMemberAt(c,i,e) = counterPhase(material_phaseAt(c,e))
|
||||
material_phaseAt(co,el) = phases%getIndex(constituent%get_asString('phase'))
|
||||
do ip = 1, discretization_nIPs
|
||||
ce = (el-1)*discretization_nIPs + ip
|
||||
counterPhase(material_phaseAt(co,el)) = counterPhase(material_phaseAt(co,el)) + 1
|
||||
material_phaseMemberAt(co,ip,el) = counterPhase(material_phaseAt(co,el))
|
||||
|
||||
call material_orientation0(c,i,e)%fromQuaternion(constituent%get_asFloats('O',requiredSize=4)) ! should be done in crystallite
|
||||
material_phaseAt2(co,ce) = material_phaseAt(co,el)
|
||||
material_phaseMemberAt2(co,ce) = material_phaseMemberAt(co,ip,el)
|
||||
call material_orientation0(co,ip,el)%fromQuaternion(constituent%get_asFloats('O',requiredSize=4)) ! should be done in crystallite
|
||||
enddo
|
||||
|
||||
enddo
|
||||
|
|
|
|||
|
|
@ -91,13 +91,11 @@ end subroutine thermal_conduction_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return heat generation rate
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine thermal_conduction_getSource(Tdot, T,ip,el)
|
||||
subroutine thermal_conduction_getSource(Tdot, ip,el)
|
||||
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point number
|
||||
el !< element number
|
||||
real(pReal), intent(in) :: &
|
||||
T
|
||||
real(pReal), intent(out) :: &
|
||||
Tdot
|
||||
|
||||
|
|
@ -105,7 +103,7 @@ subroutine thermal_conduction_getSource(Tdot, T,ip,el)
|
|||
homog
|
||||
|
||||
homog = material_homogenizationAt(el)
|
||||
call constitutive_thermal_getRate(TDot, T,ip,el)
|
||||
call constitutive_thermal_getRate(TDot, ip,el)
|
||||
|
||||
Tdot = Tdot/real(homogenization_Nconstituents(homog),pReal)
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue