DAMASK_EICMD/examples/config/numerics.yaml

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YAML

# Available numerical parameters
# Case sensitive keys
homogenization:
mech:
RGC:
atol: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
rtol: 1.0e-3 # relative ...
amax: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
rmax: 1.0e+2 # relative ...
perturbpenalty: 1.0e-7 # perturbation for computing penalty tangent
relevantmismatch: 1.0e-5 # minimum threshold of mismatch
viscositypower: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
viscositymodulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
refrelaxationrate: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
maxrelaxationrate: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
maxvoldiscrepancy: 1.0e-5 # maximum allowable relative volume discrepancy
voldiscrepancymod: 1.0e+12
discrepancypower: 5.0
generic:
subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSize: 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
nMPstate: 10 # materialpoint state loop limit
solver:
grid:
N_staggered_iter_max: 10 # max number of field level staggered iterations
N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
damage:
N_iter_max: 100 # maximum iteration number
eps_abs_phi: 1.0e-2 # absolute tolerance for damage evolution
eps_rel_phi: 1.0e-6 # relative tolerance for damage evolution
thermal:
N_iter_max: 100 # maximum iteration number
eps_abs_T: 1.0e-2 # absolute tolerance for thermal equilibrium
eps_rel_T: 1.0e-6 # relative tolerance for thermal equilibrium
mechanical:
eps_abs_div(P): 1.0e-4 # absolute tolerance for fulfillment of stress equilibrium
eps_rel_div(P): 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
eps_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
eps_rel_P: 1.0e-3 # relative tolerance for fulfillment of stress BC
N_iter_min: 1 # minimum iteration number
N_iter_max: 100 # maximum iteration number
update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
FFT:
memory_efficient: True # Precalculate Gamma-operator (81 double per point)
divergence_correction: size+grid # Use size-independent divergence criterion
derivative: continuous # Approximation used for derivatives in Fourier space
FFTW_plan_mode: FFTW_MEASURE # planing-rigor flag, see manual on www.fftw.org
FFTW_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org. -1.0: disable timelimit
PETSc_options: -snes_type ngmres -snes_ngmres_anderson # PETSc solver options
alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
eps_rel_curl(F): 5.0e-4 # relative tolerance for fulfillment of strain compatibility
mesh:
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
maxStaggeredIter: 10 # max number of field level staggered iterations
structorder: 2 # order of displacement shape functions (when mesh is defined)
bbarstabilisation: false
integrationorder: 2 # order of quadrature rule required (when mesh is defined)
itmax: 250 # Maximum iteration number
itmin: 2 # Minimum iteration number
eps_struct_atol: 1.0e-10 # absolute tolerance for mechanical equilibrium
eps_struct_rtol: 1.0e-4 # relative tolerance for mechanical equilibrium
crystallite:
subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
subStepSize: 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
stepIncrease: 1.5 # increase of next substep size when previous substep converged in crystallite (value higher than 1)
subStepSizeLp: 0.5 # size of first substep when cutback in Lp calculation
subStepSizeLi: 0.5 # size of first substep when cutback in Li calculation
nState: 10 # state loop limit
nStress: 40 # stress loop limit
rtol_State: 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
rtol_Stress: 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
atol_Stress: 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)
integrator: 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)
iJacoLpresiduum: 1 # frequency of Jacobian update of residuum in Lp
commercialFEM:
unitlength: 1 # physical length of one computational length unit
generic:
random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
phi_min: 1.0e-6 # non-zero residual damage.