Tenary alloy: free energy issues

[Emmanuel-324]

Below is also how it was approximated I the paper:

But I want to make it a tenary alloy like the paper below;
http://dx.doi.org/10.1016/j.actamat.2013.10.069

Below is a picture of how the chemical concentration was set in the paper above:

[GiudGiud]

hello

is this example relevant?
https://mooseframework.inl.gov/modules/phase_field/MultiPhase/KKSMultiComponentExample.html

Guillaume

[Emmanuel-324]

[Executioner]
  type = Transient
  solve_type = 'PJFNK'
  petsc_options_iname = '-pc_type -sub_pc_type -sub_pc_factor_shift_type'
  petsc_options_value = 'asm      ilu          nonzero'


  l_max_its = 50
  nl_max_its = 25
  l_tol = 1.0e-3
  nl_rel_tol = 1.0e-6
  nl_abs_tol = 1.0e-8

  end_time = 100

  [./TimeStepper]
    type = IterationAdaptiveDT
    dt = 5e-9
    cutback_factor = 0.75
    growth_factor = 1.2
    optimal_iterations = 20
  [../]

[]

[Preconditioning]
  active = 'full'
  [./full]
    type = SMP
    full = true
  [../]
  [./mydebug]
    type = FDP
    full = true
  [../]
[]

[GiudGiud]

sub-pc is fine here, though you might switch asm+ilu to lu if not solving well still, just to debug with a direct solve
turning off the line_search might help

[Emmanuel-324]

Below is the error I have now:

    Linear solve did not converge due to DIVERGED_BREAKDOWN iterations 30
 9 Nonlinear |R| = �[31m1.336623e+31�[39m
  Nonlinear solve did not converge due to DIVERGED_DTOL iterations 9
�[31m Solve Did NOT Converge!�[39m
  Finished Solving                                                                       [�[33m340.78 s�[39m] [�[33m 1229 MB�[39m]
Aborting as solve did not converge

Below is the new executioner block I have

[Executioner]
  type = Transient
  solve_type = 'PJFNK'
  petsc_options_iname = '-pc_type -sub_pc_type -sub_pc_factor_shift_type'
  petsc_options_value = 'asm      lu          nonzero'
  line_search = none

  l_max_its = 50
  nl_max_its = 25
  l_tol = 1.0e-3
  nl_rel_tol = 1.0e-6
  nl_abs_tol = 1.0e-8

  end_time = 100

  [./TimeStepper]
    type = IterationAdaptiveDT
    dt = 5e-9
    cutback_factor = 0.75
    growth_factor = 1.2
    optimal_iterations = 20
  [../]

[]

[GiudGiud]

Linear solve did not converge due to DIVERGED_BREAKDOWN iterations 30

linear solve is still failing.

Try this

  petsc_options_iname = '-pc_type -pc_factor_shift_type'
  petsc_options_value = '      lu          nonzero'

[GiudGiud]

0 Nonlinear |R| = �[32m1.482621e+22�[39m

this is a huge residual for an initial guess.
something is wrong in the setup
Try setting better initial conditions and looking at simplifying the problem until it solves

[Emmanuel-324]

I simplified the system a bit and I am monitoring the output.

Resetting modules to system default. Reseting $MODULEPATH back to system default. All extra directories will be removed from $MODULEPATH.

�[33m
*** Warning, This code is deprecated and will be removed in future versions:
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:203: (Functions/bc_func/vals):
The parameter 'vals' is deprecated.
Use 'symbol_values' instead.
�[39m

�[33m
*** Warning, This code is deprecated and will be removed in future versions:
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:202: (Functions/bc_func/vars):
The parameter 'vars' is deprecated.
Use 'symbol_names' instead.
�[39m

�[33m
*** Warning, This code is deprecated and will be removed in future versions:
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:236: (Materials/elastic_free_energy_1/f_name):
The parameter 'f_name' is deprecated.
f_name is deprecated, use property_name
�[39m

�[33m
*** Warning, This code is deprecated and will be removed in future versions:
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:284: (Materials/Dh1/function):
The parameter 'function' is deprecated.
'function' is deprecated, use 'expression' instead
�[39m

�[33m
*** Warning, This code is deprecated and will be removed in future versions:
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:381.3: The 'Kernels/TensorMechanics' syntax is deprecated. Please use 'Physics/SolidMechanics/QuasiStatic' instead.�[39m
Stack frames: 14
0: libMesh::print_trace(std::ostream&)
1: void moose::internal::mooseDeprecatedStream<libMesh::BasicOStreamProxy<char, std::char_traits<char> >, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > >(libMesh::BasicOStreamProxy<char, std::char_traits<char> >&, bool, bool, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&&)
2: Moose::Builder::walkRaw(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, hit::Node*)
3: Moose::Builder::walk(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, hit::Node*)
4: hit::Node::walk(hit::Walker*, hit::NodeType, hit::TraversalOrder)
5: hit::Node::walk(hit::Walker*, hit::NodeType, hit::TraversalOrder)
6: hit::Node::walk(hit::Walker*, hit::NodeType, hit::TraversalOrder)
7: Moose::Builder::build()
8: MooseApp::setupOptions()
9: MooseApp::run()
10: /home/emmanuel324/projects/belson324/belson324-opt(+0x50e8) [0x5555555590e8]
11: /lib64/libc.so.6(+0x295d0) [0x1555404295d0]
12: __libc_start_main
13: /home/emmanuel324/projects/belson324/belson324-opt(+0x538a) [0x55555555938a]


�[36m
*** Info ***
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:381.3:
The following information occurred in the Action 'TensorMechanics' of type LegacyTensorMechanicsAction.

SolidMechanics Action: selecting 'total small strain' formulation. Use `incremental = true` to select 'incremental small strain' instead.�[39m

�[33m
*** Warning, This code is deprecated and will be removed in future versions:
/home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i:679: (Outputs/checkpoint/interval):
'interval' has been deprecated and will be removed on 02/01/2025. Please use 'time_step_interval' instead.
�[39m
Currently Setting Up
  Initializing
    Finished Initializing Equation Systems                                               [�[33m  2.22 s�[39m] [�[33m  475 MB�[39m]
  Finished Initializing                                                                  [�[33m  2.23 s�[39m] [�[33m  475 MB�[39m]
Finished Setting Up                                                                      [�[33m  7.90 s�[39m] [�[33m  475 MB�[39m]

Framework Information:
MOOSE Version:           git commit 619d63588d on 2025-02-13
LibMesh Version:         
PETSc Version:           3.22.1
SLEPc Version:           3.22.1
Current Time:            Thu Mar 20 12:12:20 2025
Executable Timestamp:    Mon Mar 17 20:42:00 2025

Input File(s):
  /home/emmanuel324/projects/belson324/KKS_large_largescale/3-18-25/Inconel_718_4/Inconel_718_4.i

Checkpoint:
  Wall Time Interval:      Every 3600 s
  User Checkpoint:         Outputs/checkpoint
  # Checkpoints Kept:      10
  Execute On:              TIMESTEP_END 

Parallelism:
  Num Processors:          1
  Num Threads:             1

Mesh: 
  Parallel Type:           replicated
  Mesh Dimension:          2
  Spatial Dimension:       2
  Nodes:                   22801
  Elems:                   22500
  Num Subdomains:          1

Nonlinear System:
  Num DOFs:                273612
  Num Local DOFs:          273612
  Variables:               { "eta1" "eta2" "c_Al" "c_Nb" "w_Al" "w_Nb" "c_Al_gamma" "c_Nb_gamma" "c_Al_gammaP" 
                             "c_Nb_gammaP" } { "disp_x" "disp_y" } 
  Finite Element Types:    "LAGRANGE" "LAGRANGE" 
  Approximation Orders:    "FIRST" "FIRST" 

Auxiliary System:
  Num DOFs:                90301
  Num Local DOFs:          90301
  Variables:               "Energy" "stress_xx" "e_xx" "bounds_dummy" 
  Finite Element Types:    "MONOMIAL" "MONOMIAL" "MONOMIAL" "LAGRANGE" 
  Approximation Orders:    "CONSTANT" "CONSTANT" "CONSTANT" "FIRST" 

Execution Information:
  Executioner:             Transient
  TimeStepper:             IterationAdaptiveDT
  TimeIntegrator(s):       ImplicitEuler
  Solver Mode:             Preconditioned JFNK
  PETSc Preconditioner:    lu 
  MOOSE Preconditioner:    SMP



Currently Executing
  Performing Initial Setup
    Finished Setting Up Initial Conditions                                               [�[33m  0.38 s�[39m] [�[33m  940 MB�[39m]


  Finished Performing Initial Setup                                                      [�[33m  1.58 s�[39m] [�[33m  952 MB�[39m]


Time Step 0, time = 0

Postprocessor Values:
+----------------+----------------+----------------+----------------+----------------+
| time           | dofs           | gr1area        | gr2area        | h1_error       |
+----------------+----------------+----------------+----------------+----------------+
|   0.000000e+00 |   0.000000e+00 |   7.993173e+01 |   3.861565e+01 |   0.000000e+00 |
+----------------+----------------+----------------+----------------+----------------+


Time Step 1, time = 5e-06, dt = 5e-06
 0 Nonlinear |R| = �[32m2.196777e+06�[39m


    Computing Jacobian                                                                   [�[33m  6.22 s�[39m] [�[33m 1227 MB�[39m]

      0 Linear |R| = �[32m2.196777e+06�[39m
      1 Linear |R| = �[32m3.689279e+05�[39m
      2 Linear |R| = �[32m2.560808e+04�[39m
      3 Linear |R| = �[32m2.412039e+03�[39m
      4 Linear |R| = �[32m3.328833e+02�[39m
 1 Nonlinear |R| = �[32m3.357745e+04�[39m


    Computing Jacobian                                                                   [�[33m  6.06 s�[39m] [�[33m 4005 MB�[39m]

      0 Linear |R| = �[32m3.357745e+04�[39m
      1 Linear |R| = �[32m4.413871e+03�[39m
      2 Linear |R| = �[32m2.470787e+02�[39m
      3 Linear |R| = �[32m2.994002e+01�[39m
 2 Nonlinear |R| = �[32m3.131626e+01�[39m


    Computing Jacobian                                                                   [�[33m  6.02 s�[39m] [�[33m 4046 MB�[39m]

      0 Linear |R| = �[32m3.131626e+01�[39m
      1 Linear |R| = �[32m1.275268e+01�[39m
      2 Linear |R| = �[32m3.051285e+00�[39m
      3 Linear |R| = �[32m2.213519e-01�[39m
      4 Linear |R| = �[32m5.455163e-02�[39m
      5 Linear |R| = �[32m9.244675e-03�[39m
 3 Nonlinear |R| = �[32m1.813922e+00�[39m

�[32m Solve Converged!�[39m

  Finished Solving                                                                       [�[33m125.89 s�[39m] [�[33m 1293 MB�[39m]


Outlier Variable Residual Norms:
  eta1: �[31m2.975729e-01�[39m
  eta2: �[31m2.594081e-01�[39m
  c_Al: �[31m4.661199e-10�[39m
  c_Nb: �[31m2.226022e-10�[39m
  w_Al: �[31m4.733069e-06�[39m
  w_Nb: �[31m9.378651e-06�[39m
  c_Al_gamma: �[31m5.329866e-10�[39m
  c_Nb_gamma: �[31m2.473407e-10�[39m
  c_Al_gammaP: �[31m2.021004e-06�[39m
  c_Nb_gammaP: �[31m1.001591e-07�[39m
  disp_x: �[31m1.251699e+00�[39m
  disp_y: �[31m1.252086e+00�[39m

Postprocessor Values:
+----------------+----------------+----------------+----------------+----------------+
| time           | dofs           | gr1area        | gr2area        | h1_error       |
+----------------+----------------+----------------+----------------+----------------+
|   0.000000e+00 |   0.000000e+00 |   7.993173e+01 |   3.861565e+01 |   0.000000e+00 |
|   5.000000e-06 |   3.639130e+05 |   6.477483e+01 |   1.750405e+02 |   1.107186e+04 |
+----------------+----------------+----------------+----------------+----------------+


  Adapting Mesh

  Finished Adapting Mesh                                                                 [�[33m 20.52 s�[39m] [�[33m 2968 MB�[39m]



Time Step 2, time = 1.1e-05, dt = 6e-06
 0 Nonlinear |R| = �[32m1.035306e+06�[39m


    Computing Jacobian....                                                               [�[33m 27.56 s�[39m] [�[33m 2986 MB�[39m]

      0 Linear |R| = �[32m1.035306e+06�[39m
      1 Linear |R| = �[32m2.237340e+05�[39m
      2 Linear |R| = �[32m2.154794e+04�[39m
      3 Linear |R| = �[32m2.368373e+03�[39m
      4 Linear |R| = �[32m5.158081e+02�[39m
 1 Nonlinear |R| = �[32m1.487630e+04�[39m


    Computing Jacobian....                                                               [�[33m 27.72 s�[39m] [�[33m15229 MB�[39m]

      0 Linear |R| = �[32m1.487630e+04�[39m
      1 Linear |R| = �[32m3.111694e+03�[39m
      2 Linear |R| = �[32m2.660862e+02�[39m
      3 Linear |R| = �[32m7.782754e+01�[39m
      4 Linear |R| = �[32m4.480329e+01�[39m
      5 Linear |R| = �[32m4.120496e+01�[39m
      6 Linear |R| = �[32m1.024778e+01�[39m
 2 Nonlinear |R| = �[32m4.950526e+01�[39m


    Computing Jacobian....                                                               [�[33m 27.32 s�[39m] [�[33m15417 MB�[39m]

Is this reasonable enough for the initial conditions

 0 Nonlinear |R| = �[32m2.196777e+06�[39m

[GiudGiud]

this looks much better
convergence is decent as well, though I would encourage you to tighten the convergences while still debugging.,

 3 Nonlinear |R| = �[32m1.813922e+00�[39m

accepting this is still fairly loose. Of course this is problem dependent and it's hard getting an insight on what they mean. But if you hit convegence issues on later time steps you ll want to tighten these criteria