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DAMASK_EICMD
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clear names

This commit is contained in:
Sharan Roongta 2023-07-25 23:04:29 +02:00
parent 4f59fac81d
commit 2547d4a25c
3 changed files with 30 additions and 26 deletions
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23
examples/config/numerics.yaml
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@ -73,23 +73,24 @@ mesh:
phase: phase:
mechanical: mechanical:
step_min: 1.0e-3 # minimum (relative) size of step allowed during cutback in crystallite step_min: 1.0e-3 # minimum (relative) size of step allowed during cutback in phase state calculation
step_size: 0.25 # size of step when cutback introduced in crystallite (value between 0 and 1) r_cutback_step: 0.25 # factor to decrease size of step when cutback introduced in phase state calculation (value between 0 and 1)
step_increase: 1.5 # increase of next step size when previous step converged in crystallite (value higher than 1) r_increase_step: 1.5 # factor to increase size of next step when previous step converged in phase state calculation
eps_rel_state: 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law) eps_rel_state: 1.0e-6 # relative tolerance in phase state loop (abs tol provided by constitutive law)
N_iter_state_max: 10 # state loop limit N_iter_state_max: 10 # state loop limit
N_iter_stress_max: 40 # stress loop limit
plastic: plastic:
step_size_Lp: 0.5 # size of first substep when cutback in Lp calculation r_cutback_step_Lp: 0.5 # factor to decrease the step when cutback in Lp calculation
eps_rel_Lp: 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum) eps_rel_Lp: 1.0e-6 # relative tolerance in phase stress loop (Lp residuum)
eps_abs_Lp: 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!) eps_abs_Lp: 1.0e-8 # absolute tolerance in phase stress loop (Lp residuum)
N_iter_Lp_max: 40 # stress loop limit for Lp
f_update_jacobi_Lp: 1 # frequency of Jacobian update of residuum in Lp f_update_jacobi_Lp: 1 # frequency of Jacobian update of residuum in Lp
integrator_state: FPI # integration method (FPI = Fixed Point Iteration, Euler = Euler, AdaptiveEuler = Adaptive Euler, RK4 = classical 4th order Runge-Kutta, RKCK45 = 5th order Runge-Kutta Cash-Karp) integrator_state: FPI # integration method (FPI = Fixed Point Iteration, Euler = Euler, AdaptiveEuler = Adaptive Euler, RK4 = classical 4th order Runge-Kutta, RKCK45 = 5th order Runge-Kutta Cash-Karp)
eigen: eigen:
step_size_Li: 0.5 # size of first substep when cutback in Li calculation r_cutback_step_Li: 0.5 # factor to decrease the step when cutback in Li calculation
eps_rel_Li: 1.0e-6 # relative tolerance in crystallite stress loop (Li residuum) eps_rel_Li: 1.0e-6 # relative tolerance in phase stress loop (Li residuum)
eps_abs_Li: 1.0e-8 # absolute tolerance in crystallite stress loop (Li residuum!) eps_abs_Li: 1.0e-8 # absolute tolerance in phase stress loop (Li residuum)
N_iter_Li_max: 40 # stress loop limit for Li
f_update_jacobi_Li: 1 # frequency of Jacobian update of residuum in Li f_update_jacobi_Li: 1 # frequency of Jacobian update of residuum in Li
commercialFEM: commercialFEM:

3
src/phase.f90
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@ -86,7 +86,8 @@ module phase
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
iJacoLiresiduum, & !< frequency of Jacobian update of residuum in Li iJacoLiresiduum, & !< frequency of Jacobian update of residuum in Li
nState, & !< state loop limit nState, & !< state loop limit
nStress !< stress loop limit nStress_Lp, & !< stress loop limit for Lp
nStress_Li !< stress loop limit for Li
real(pREAL) :: & real(pREAL) :: &
stepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback stepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
stepSizeCryst, & !< size of first substep when cutback stepSizeCryst, & !< size of first substep when cutback

30
src/phase_mechanical.f90
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@ -278,34 +278,36 @@ module subroutine mechanical_init(phases, num_mech)
num_mech_eigen => num_mech%get_dict('eigen', defaultVal=emptyDict) num_mech_eigen => num_mech%get_dict('eigen', defaultVal=emptyDict)
num%stepMinCryst = num_mech%get_asReal ('step_min', defaultVal=1.0e-3_pREAL) num%stepMinCryst = num_mech%get_asReal ('step_min', defaultVal=1.0e-3_pREAL)
num%stepSizeCryst = num_mech%get_asReal ('step_size', defaultVal=0.25_pREAL) num%stepSizeCryst = num_mech%get_asReal ('r_cutback_step', defaultVal=0.25_pREAL)
num%stepIncreaseCryst = num_mech%get_asReal ('step_increase', defaultVal=1.5_pREAL) num%stepIncreaseCryst = num_mech%get_asReal ('r_increase_step', 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_Lp = num_mech_plastic%get_asInt ('N_iter_Lp_max', defaultVal=40)
num%stepSizeLp = num_mech_plastic%get_asReal ('step_size_Lp', defaultVal=0.5_pREAL) num%stepSizeLp = num_mech_plastic%get_asReal ('r_cutback_step_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%stepSizeLi = num_mech_eigen%get_asReal ('step_size_Li', defaultVal=0.5_pREAL) num%nStress_Li = num_mech_eigen%get_asInt ('N_iter_Li_max', defaultVal=40)
num%stepSizeLi = num_mech_eigen%get_asReal ('r_cutback_step_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%stepMinCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_min' if (num%stepMinCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_min'
if (num%stepSizeCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size' if (num%stepSizeCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' r_cutback_step'
if (num%stepIncreaseCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' step_increase' if (num%stepIncreaseCryst <= 0.0_pREAL) extmsg = trim(extmsg)//' r_increase_step'
if (num%stepSizeLp <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size_Lp' if (num%stepSizeLp <= 0.0_pREAL) extmsg = trim(extmsg)//' r_cutback_step_Lp'
if (num%stepSizeLi <= 0.0_pREAL) extmsg = trim(extmsg)//' sub_step_size_Li' if (num%stepSizeLi <= 0.0_pREAL) extmsg = trim(extmsg)//' r_cutback_step_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'
if (num%atol_Li <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_Li' if (num%atol_Li <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_Li'
if (num%iJacoLpresiduum < 1) extmsg = trim(extmsg)//' f_jacobi_residuum_update_Lp' if (num%iJacoLpresiduum < 1) extmsg = trim(extmsg)//' f_update_jacobi_Lp'
if (num%iJacoLiresiduum < 1) extmsg = trim(extmsg)//' f_jacobi_residuum_update_Li' if (num%iJacoLiresiduum < 1) extmsg = trim(extmsg)//' f_update_jacobi_Li'
if (num%nState < 1) extmsg = trim(extmsg)//' N_iter_state_max' if (num%nState < 1) extmsg = trim(extmsg)//' N_iter_state_max'
if (num%nStress < 1) extmsg = trim(extmsg)//' N_iter_stress_max' if (num%nStress_Lp < 1) extmsg = trim(extmsg)//' N_iter_Lp_max'
if (num%nStress_Li < 1) extmsg = trim(extmsg)//' N_iter_Li_max'
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg)) if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
@ -452,7 +454,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
NiterationStressLi = 0 NiterationStressLi = 0
LiLoop: do LiLoop: do
NiterationStressLi = NiterationStressLi + 1 NiterationStressLi = NiterationStressLi + 1
if (NiterationStressLi>num%nStress) return ! error if (NiterationStressLi>num%nStress_Li) return ! error
invFi_new = matmul(invFi_current,math_I3 - Delta_t*Liguess) invFi_new = matmul(invFi_current,math_I3 - Delta_t*Liguess)
Fi_new = math_inv33(invFi_new) Fi_new = math_inv33(invFi_new)
@ -465,7 +467,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,ph,en) result(broken)
NiterationStressLp = 0 NiterationStressLp = 0
LpLoop: do LpLoop: do
NiterationStressLp = NiterationStressLp + 1 NiterationStressLp = NiterationStressLp + 1
if (NiterationStressLp>num%nStress) return ! error if (NiterationStressLp>num%nStress_Lp) return ! error
B = math_I3 - Delta_t*Lpguess B = math_I3 - Delta_t*Lpguess
Fe = matmul(matmul(A,B), invFi_new) Fe = matmul(matmul(A,B), invFi_new)