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subStep ---> step

This commit is contained in:
Sharan Roongta 2023-07-24 21:03:35 +02:00
parent 59ae287564
commit 33e0048010
2 changed files with 47 additions and 47 deletions
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8
src/phase.f90
View File

@ -65,10 +65,10 @@ module phase
nState, & !< state loop limit nState, & !< state loop limit
nStress !< stress loop limit nStress !< stress loop limit
real(pREAL) :: & real(pREAL) :: &
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback stepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
subStepSizeCryst, & !< size of first substep when cutback stepSizeCryst, & !< size of first substep when cutback
subStepSizeLp, & !< size of first substep when cutback in Lp calculation stepSizeLp, & !< size of first substep when cutback in Lp calculation
subStepSizeLi, & !< size of first substep when cutback in Li calculation stepSizeLi, & !< size of first substep when cutback in Li calculation
stepIncreaseCryst, & !< increase of next substep size when previous substep converged stepIncreaseCryst, & !< increase of next substep size when previous substep converged
rtol_crystalliteState, & rtol_crystalliteState, &
rtol_Lp, & !< relative tolerance in stress loop for Lp rtol_Lp, & !< relative tolerance in stress loop for Lp

48
src/phase_mechanical.f90
View File

@ -295,27 +295,27 @@ module subroutine mechanical_init(phases, num_mech)
num_mech_plastic => num_mech%get_dict('plastic', defaultVal=emptyDict) num_mech_plastic => num_mech%get_dict('plastic', defaultVal=emptyDict)
num_mech_eigen => num_mech%get_dict('eigen', defaultVal=emptyDict) num_mech_eigen => num_mech%get_dict('eigen', defaultVal=emptyDict)
num%subStepMinCryst = num_mech%get_asReal ('sub_step_min', defaultVal=1.0e-3_pREAL) num%stepMinCryst = num_mech%get_asReal ('step_min', defaultVal=1.0e-3_pREAL)
num%subStepSizeCryst = num_mech%get_asReal ('sub_step_size', defaultVal=0.25_pREAL) num%stepSizeCryst = num_mech%get_asReal ('step_size', defaultVal=0.25_pREAL)
num%stepIncreaseCryst = num_mech%get_asReal ('step_increase', defaultVal=1.5_pREAL) num%stepIncreaseCryst = num_mech%get_asReal ('step_increase', defaultVal=1.5_pREAL)
num%rtol_crystalliteState = num_mech%get_asReal ('eps_rel_state', defaultVal=1.0e-6_pREAL) num%rtol_crystalliteState = num_mech%get_asReal ('eps_rel_state', defaultVal=1.0e-6_pREAL)
num%nState = num_mech%get_asInt ('N_iter_state_max', defaultVal=20) num%nState = num_mech%get_asInt ('N_iter_state_max', defaultVal=20)
num%nStress = num_mech%get_asInt ('N_iter_stress_max', defaultVal=40) num%nStress = num_mech%get_asInt ('N_iter_stress_max', defaultVal=40)
num%subStepSizeLp = num_mech_plastic%get_asReal ('sub_step_size_Lp', defaultVal=0.5_pREAL) num%stepSizeLp = num_mech_plastic%get_asReal ('step_size_Lp', defaultVal=0.5_pREAL)
num%rtol_Lp = num_mech_plastic%get_asReal ('eps_rel_Lp', defaultVal=1.0e-6_pREAL) num%rtol_Lp = num_mech_plastic%get_asReal ('eps_rel_Lp', defaultVal=1.0e-6_pREAL)
num%atol_Lp = num_mech_plastic%get_asReal ('eps_abs_Lp', defaultVal=1.0e-8_pREAL) num%atol_Lp = num_mech_plastic%get_asReal ('eps_abs_Lp', defaultVal=1.0e-8_pREAL)
num%iJacoLpresiduum = num_mech_plastic%get_asInt ('f_update_jacobi_Lp', defaultVal=1) num%iJacoLpresiduum = num_mech_plastic%get_asInt ('f_update_jacobi_Lp', defaultVal=1)
num%subStepSizeLi = num_mech_eigen%get_asReal ('sub_step_size_Li', defaultVal=0.5_pREAL) num%stepSizeLi = num_mech_eigen%get_asReal ('step_size_Li', defaultVal=0.5_pREAL)
num%rtol_Li = num_mech_eigen%get_asReal ('eps_rel_Li', defaultVal=num%rtol_Lp) num%rtol_Li = num_mech_eigen%get_asReal ('eps_rel_Li', defaultVal=num%rtol_Lp)
num%atol_Li = num_mech_eigen%get_asReal ('eps_abs_Li', defaultVal=num%atol_Lp) num%atol_Li = num_mech_eigen%get_asReal ('eps_abs_Li', defaultVal=num%atol_Lp)
num%iJacoLiresiduum = num_mech_eigen%get_asInt ('f_update_jacobi_Li', defaultVal=num%iJacoLpresiduum) num%iJacoLiresiduum = num_mech_eigen%get_asInt ('f_update_jacobi_Li', defaultVal=num%iJacoLpresiduum)
extmsg = '' extmsg = ''
if (num%subStepMinCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_min' if (num%stepMinCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_min'
if (num%subStepSizeCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size' if (num%stepSizeCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size'
if (num%stepIncreaseCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' step_increase' if (num%stepIncreaseCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' step_increase'
if (num%subStepSizeLp <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size_Lp' if (num%stepSizeLp <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size_Lp'
if (num%subStepSizeLi <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size_Li' if (num%stepSizeLi <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size_Li'
if (num%rtol_Lp <= 0.0_pREAL) extmsg = trim(extmsg)//' epl_rel_Lp' if (num%rtol_Lp <= 0.0_pREAL) extmsg = trim(extmsg)//' epl_rel_Lp'
if (num%atol_Lp <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_Lp' if (num%atol_Lp <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_Lp'
if (num%rtol_Li <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_rel_Li' if (num%rtol_Li <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_rel_Li'
@ -507,7 +507,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
Lpguess_old = Lpguess Lpguess_old = Lpguess
steplengthLp = 1.0_pREAL ! ...proceed with normal step length (calculate new search direction) steplengthLp = 1.0_pREAL ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved... else ! not converged and residuum not improved...
steplengthLp = num%subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction steplengthLp = num%stepSizeLp * steplengthLp ! ...try with smaller step length in same direction
Lpguess = Lpguess_old & Lpguess = Lpguess_old &
+ deltaLp * stepLengthLp + deltaLp * stepLengthLp
cycle LpLoop cycle LpLoop
@ -547,7 +547,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
Liguess_old = Liguess Liguess_old = Liguess
steplengthLi = 1.0_pREAL ! ...proceed with normal step length (calculate new search direction) steplengthLi = 1.0_pREAL ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved... else ! not converged and residuum not improved...
steplengthLi = num%subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction steplengthLi = num%stepSizeLi * steplengthLi ! ...try with smaller step length in same direction
Liguess = Liguess_old & Liguess = Liguess_old &
+ deltaLi * steplengthLi + deltaLi * steplengthLi
cycle LiLoop cycle LiLoop
@ -1029,11 +1029,11 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
logical :: converged_ logical :: converged_
real(pREAL) :: & real(pREAL) :: &
formerSubStep formerStep
integer :: & integer :: &
ph, en, sizeDotState ph, en, sizeDotState
logical :: todo logical :: todo
real(pREAL) :: subFrac,subStep real(pREAL) :: stepFrac,step
real(pREAL), dimension(3,3) :: & real(pREAL), dimension(3,3) :: &
subFp0, & subFp0, &
subFi0, & subFi0, &
@ -1053,20 +1053,20 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en)
subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en) subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en)
subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en) subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en)
subFrac = 0.0_pREAL stepFrac = 0.0_pREAL
todo = .true. todo = .true.
subStep = 1.0_pREAL/num%subStepSizeCryst step = 1.0_pREAL/num%stepSizeCryst
converged_ = .false. ! pretend failed step of 1/subStepSizeCryst converged_ = .false. ! pretend failed step of 1/stepSizeCryst
todo = .true. todo = .true.
cutbackLooping: do while (todo) cutbackLooping: do while (todo)
if (converged_) then if (converged_) then
formerSubStep = subStep formerStep = step
subFrac = subFrac + subStep stepFrac = stepFrac + step
subStep = min(1.0_pREAL - subFrac, num%stepIncreaseCryst * subStep) step = min(1.0_pREAL - stepFrac, num%stepIncreaseCryst * step)
todo = subStep > 0.0_pREAL ! still time left to integrate on? todo = step > 0.0_pREAL ! still time left to integrate on?
if (todo) then if (todo) then
subF0 = subF subF0 = subF
@ -1079,16 +1079,16 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! cut back (reduced time and restore) ! cut back (reduced time and restore)
else else
subStep = num%subStepSizeCryst * subStep step = num%stepSizeCryst * step
phase_mechanical_Fp(ph)%data(1:3,1:3,en) = subFp0 phase_mechanical_Fp(ph)%data(1:3,1:3,en) = subFp0
phase_mechanical_Fi(ph)%data(1:3,1:3,en) = subFi0 phase_mechanical_Fi(ph)%data(1:3,1:3,en) = subFi0
phase_mechanical_S(ph)%data(1:3,1:3,en) = phase_mechanical_S0(ph)%data(1:3,1:3,en) phase_mechanical_S(ph)%data(1:3,1:3,en) = phase_mechanical_S0(ph)%data(1:3,1:3,en)
if (subStep < 1.0_pREAL) then ! actual (not initial) cutback if (step < 1.0_pREAL) then ! actual (not initial) cutback
phase_mechanical_Lp(ph)%data(1:3,1:3,en) = subLp0 phase_mechanical_Lp(ph)%data(1:3,1:3,en) = subLp0
phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0 phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0
end if end if
plasticState(ph)%state(:,en) = subState0 plasticState(ph)%state(:,en) = subState0
todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair) todo = step > num%stepMinCryst ! still on track or already done (beyond repair)
end if end if
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1096,8 +1096,8 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
if (todo) then if (todo) then
sizeDotState = plasticState(ph)%sizeDotState sizeDotState = plasticState(ph)%sizeDotState
subF = subF0 & subF = subF0 &
+ subStep * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en)) + step * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en))
converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * Delta_t,ph,en) converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),step * Delta_t,ph,en)
end if end if
end do cutbackLooping end do cutbackLooping