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marc and other minor changes

This commit is contained in:
Sharan Roongta 2023-08-02 14:08:25 +02:00
parent 482ba98b18
commit ac63ee3600
4 changed files with 59 additions and 57 deletions
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105
examples/config/numerics.yaml
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@ -1,5 +1,6 @@
# Available numerical parameters # Available numerical parameters
# Case sensitive keys # Case sensitive keys
---
homogenization: homogenization:
mechanical: mechanical:
@ -21,74 +22,74 @@ homogenization:
solver: solver:
grid: grid:
N_staggered_iter_max: 10 # max number of field level staggered iterations 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) N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
damage: damage:
N_iter_max: 100 # maximum iteration number N_iter_max: 100 # maximum iteration number
eps_abs_phi: 1.0e-2 # absolute tolerance for damage evolution eps_abs_phi: 1.0e-2 # absolute tolerance for damage evolution
eps_rel_phi: 1.0e-6 # relative tolerance for damage evolution eps_rel_phi: 1.0e-6 # relative tolerance for damage evolution
phi_min: 1.0e-6 # non-zero residual damage
thermal: thermal:
N_iter_max: 100 # maximum iteration number N_iter_max: 100 # maximum iteration number
eps_abs_T: 1.0e-2 # absolute tolerance for thermal equilibrium eps_abs_T: 1.0e-2 # absolute tolerance for thermal equilibrium
eps_rel_T: 1.0e-6 # relative tolerance for thermal equilibrium eps_rel_T: 1.0e-6 # relative tolerance for thermal equilibrium
mechanical: mechanical:
eps_abs_div(P): 1.0e-4 # absolute tolerance for fulfillment of stress equilibrium 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_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_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
eps_rel_P: 1.0e-3 # relative 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_min: 1 # minimum iteration number
N_iter_max: 100 # maximum iteration number N_iter_max: 100 # maximum iteration number
update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1) update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
FFT: FFT:
memory_efficient: True # Precalculate Gamma-operator (81 double per point) memory_efficient: True # Precalculate Gamma-operator (81 double per point)
divergence_correction: size+grid # Use size-independent divergence criterion divergence_correction: size+grid # Use size-independent divergence criterion
derivative: continuous # Approximation used for derivatives in Fourier space derivative: continuous # Approximation used for derivatives in Fourier space
FFTW_plan_mode: FFTW_MEASURE # planing-rigor flag, see manual on www.fftw.org 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 FFTW_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org. -1.0: disable timelimit
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
PETSc_options: -snes_type ngmres -snes_ngmres_anderson # PETSc solver options 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: mesh:
N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc) N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
N_staggered_iter_max: 10 # max number of field level staggered iterations N_staggered_iter_max: 10 # max number of field level staggered iterations
p_s: 2 # order of displacement shape functions (when mesh is defined) p_s: 2 # order of displacement shape functions (when mesh is defined)
bbarstabilisation: false bbarstabilisation: false
p_i: 2 # order of quadrature rule required (when mesh is defined) p_i: 2 # order of quadrature rule required (when mesh is defined)
N_iter_max: 250 # Maximum iteration number N_iter_max: 250 # Maximum iteration number
eps_abs_div(P): 1.0e-10 # absolute tolerance for mechanical equilibrium eps_abs_div(P): 1.0e-10 # absolute tolerance for mechanical equilibrium
eps_rel_div(P): 1.0e-4 # relative tolerance for mechanical equilibrium eps_rel_div(P): 1.0e-4 # relative tolerance for mechanical equilibrium
Marc:
unit_length: 1.0 # physical length of one computational length unit
phase: phase:
mechanical: mechanical:
r_cutback_min: 1.0e-3 # minimum (relative) size of step allowed during cutback in phase state calculation r_cutback_min: 1.0e-3 # minimum (relative) size of step allowed during cutback in phase state calculation
r_cutback: 0.25 # factor to decrease size of step when cutback introduced in phase state calculation (value between 0 and 1) r_cutback: 0.25 # factor to decrease size of step when cutback introduced in phase state calculation (value between 0 and 1)
r_increase: 1.5 # factor to increase size of next step when previous step converged in phase state calculation r_increase: 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 phase 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
plastic: plastic:
r_linesearch_Lp: 0.5 # factor to decrease the step due to non-convergence in Lp calculation r_linesearch_Lp: 0.5 # factor to decrease the step due to non-convergence in Lp calculation
eps_rel_Lp: 1.0e-6 # relative tolerance in Lp residuum eps_rel_Lp: 1.0e-6 # relative tolerance in Lp residuum
eps_abs_Lp: 1.0e-8 # absolute tolerance in Lp residuum eps_abs_Lp: 1.0e-8 # absolute tolerance in Lp residuum
N_iter_Lp_max: 40 # stress loop limit for Lp 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:
r_linesearch_Li: 0.5 # factor to decrease the step due to non-convergence in Li calculation r_linesearch_Li: 0.5 # factor to decrease the step due to non-convergence in Li calculation
eps_rel_Li: 1.0e-6 # relative tolerance in Li residuum eps_rel_Li: 1.0e-6 # relative tolerance in Li residuum
eps_abs_Li: 1.0e-8 # absolute tolerance in Li residuum eps_abs_Li: 1.0e-8 # absolute tolerance in Li residuum
N_iter_Li_max: 40 # stress loop limit for Li 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:
unitlength: 1 # physical length of one computational length unit
generic: generic:
random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed. random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
phi_min: 1.0e-6 # non-zero residual damage.

6
src/Marc/discretization_Marc.f90
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@ -69,13 +69,15 @@ subroutine discretization_Marc_init
unscaledNormals unscaledNormals
type(tDict), pointer :: & type(tDict), pointer :: &
num_solver, &
num_commercialFEM num_commercialFEM
print'(/,a)', ' <<<+- discretization_Marc init -+>>>'; flush(6) print'(/,a)', ' <<<+- discretization_Marc init -+>>>'; flush(6)
num_commercialFEM => config_numerics%get_dict('commercialFEM',defaultVal = emptyDict) num_solver => config_numerics%get_asDict('solver',defaultVal=emptyDict)
mesh_unitlength = num_commercialFEM%get_asReal('unitlength',defaultVal=1.0_pREAL) ! set physical extent of a length unit in mesh num_commercialFEM => num_solver%get_asDict('Marc', defaultVal = emptyDict)
mesh_unitlength = num_commercialFEM%get_asReal('unit_length',defaultVal=1.0_pREAL) ! set physical extent of a length unit in mesh
if (mesh_unitlength <= 0.0_pREAL) call IO_error(301,'unitlength') if (mesh_unitlength <= 0.0_pREAL) call IO_error(301,'unitlength')
call inputRead(elem,node0_elem,connectivity_elem,materialAt) call inputRead(elem,node0_elem,connectivity_elem,materialAt)

4
src/grid/grid_damage_spectral.f90
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@ -102,7 +102,7 @@ subroutine grid_damage_spectral_init(num_grid)
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
num_grid_damage => num_grid%get_dict('damage',defaultVal=emptyDict) num_grid_damage => num_grid%get_dict('damage',defaultVal=emptyDict)
num%itmax = num_grid_damage%get_asInt('N_iter_max', defaultVal=100) num%itmax = num_grid_damage%get_asInt ('N_iter_max', defaultVal=100)
num%eps_damage_atol = num_grid_damage%get_asReal('eps_abs_phi',defaultVal=1.0e-2_pREAL) num%eps_damage_atol = num_grid_damage%get_asReal('eps_abs_phi',defaultVal=1.0e-2_pREAL)
num%eps_damage_rtol = num_grid_damage%get_asReal('eps_rel_phi',defaultVal=1.0e-6_pREAL) num%eps_damage_rtol = num_grid_damage%get_asReal('eps_rel_phi',defaultVal=1.0e-6_pREAL)
num%phi_min = num_grid_damage%get_asReal('phi_min', defaultVal=1.0e-6_pREAL) num%phi_min = num_grid_damage%get_asReal('phi_min', defaultVal=1.0e-6_pREAL)
@ -110,7 +110,7 @@ subroutine grid_damage_spectral_init(num_grid)
extmsg = '' extmsg = ''
if (num%eps_damage_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_phi' if (num%eps_damage_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_phi'
if (num%eps_damage_rtol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_rel_phi' if (num%eps_damage_rtol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_rel_phi'
if (num%phi_min < 0.0_pREAL) extmsg = trim(extmsg)//' phi_min' if (num%phi_min <= 0.0_pREAL) extmsg = trim(extmsg)//' phi_min'
if (num%itmax < 1) extmsg = trim(extmsg)//' N_iter_max' if (num%itmax < 1) extmsg = trim(extmsg)//' N_iter_max'
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg)) if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))

1
src/mesh/FEM_utilities.f90
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@ -96,7 +96,6 @@ subroutine FEM_utilities_init(num_mesh)
num_mesh num_mesh
character(len=pSTRLEN) :: petsc_optionsOrder character(len=pSTRLEN) :: petsc_optionsOrder
character(len=:), allocatable :: & character(len=:), allocatable :: &
extmsg, &
petsc_options petsc_options
integer :: & integer :: &
p_s, & !< order of shape functions p_s, & !< order of shape functions