Demo workflows

These workflow templates are included in MatFlow as demonstrations. You can copy a demo workflow template to somewhere accessible using the CLI like this:

matflow demo-workflow copy WORKFLOW_NAME DESTINATION

where WORKFLOW_NAME is the name of one of the demo workflows, and DESTINATION is the target copy location, which can be a directory (e.g. "." for the current working directory, or a full file path).

In the Python API, we can copy a demo workflow template file like this:

import matflow as mf

mf.copy_demo_workflow(name, dst)

fit_yield_funcs

A workflow to fit yield functions to crystal plasticity simulations.

fit_yield_funcs.yaml

tasks:
- schema: generate_volume_element_from_voronoi
  inputs:
    homog_label: SX
    VE_grid_size: [8, 8, 8]
    orientations::from_random:
      number: 4
    microstructure_seeds::from_random:
      box_size: [1, 1, 1]
      num_seeds: 4
      phase_label: Al

- schema: define_load_case
  element_sets:
  - inputs:
      load_case::uniaxial:
        total_time: 100
        num_increments: 200
        direction: x
        target_def_grad_rate: 1.0e-3
  - inputs:
      load_case::random_3D:
        total_time: 100
        num_increments: 200
        target_def_grad: 1.0e-1
    groups:
    - name: multiaxial_load_cases
    repeats: 6

- schema: simulate_VE_loading_damask
  inputs:
    homogenization:
      SX:
        mechanical: {type: pass}
        N_constituents: 1
    damask_phases:
      Al:
        lattice: cF
        mechanical:
          output: [F, P, F_e, F_p, L_p, O]
          elastic:
            type: Hooke
            C_11: 106750000000
            C_12: 60410000000
            C_44: 28340000000
          plastic:
            type: phenopowerlaw
            N_sl: [12]
            a_sl: 2.25
            atol_xi: 1
            dot_gamma_0_sl: 0.001
            h_0_sl-sl: 75.0e+6
            h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
            n_sl: 20
            output: [xi_sl]
            xi_0_sl: [31.0e+6]
            xi_inf_sl: [63.0e+6]
    damask_post_processing:
    - name: add_stress_Cauchy
      args: {P: P, F: F}
      opts: {}
    - name: add_strain
      args: {F: F_p, t: U, m: 0}
      opts: {}
    VE_response_data:
      volume_data:
      - out_name: vol_avg_stress
        field_name: sigma
        transforms: [mean_along_axes: 1]
      - out_name: vol_avg_plastic_strain
        field_name: epsilon_U^0(F_p)
        transforms: [mean_along_axes: 1]
    damask_viz:

- schema: fit_yield_function
  inputs:
    yield_function_name: Hill1948
    yield_point_criteria:
      threshold: equivalent_plastic_strain
      values: [2.0e-3, 1.0e-2]
  input_sources:
    VE_response[uniaxial]:
    - source_type: task
      task_ref: simulate_VE_loading_damask
      where:
        path: inputs.load_case.type
        condition:
          value.equal_to: uniaxial
    VE_response[multiaxial]:
    - source_type: task
      task_ref: simulate_VE_loading_damask
      where:
        path: inputs.load_case.type
        condition:
          value.equal_to: random_3D

tension_DAMASK_Al

A simple crystal plasticity simulation using DAMASK. A volume element is loading uniaxially.

tension_DAMASK_Al.yaml

tasks:
- schema: generate_microstructure_seeds_from_random
  inputs:
    VE_size: [1, 1, 1]
    num_grains: 4
    phase_label: Al

- schema: generate_volume_element_from_voronoi
  inputs:
    homog_label: SX
    VE_grid_size: [8, 8, 8]

- schema: simulate_VE_loading_damask
  inputs:
    load_case::uniaxial:
      total_time: 50
      num_increments: 100
      direction: x
      target_def_grad_rate: 1.0e-3
    homogenization:
      SX:
        mechanical: {type: pass}
        N_constituents: 1
    damask_phases:
      Al:
        lattice: cF
        mechanical:
          output: [F, P, F_e, F_p, L_p, O]
          elastic:
            type: Hooke
            C_11: 106750000000
            C_12: 60410000000
            C_44: 28340000000
          plastic:
            type: phenopowerlaw
            N_sl: [12]
            a_sl: 2.25
            atol_xi: 1
            dot_gamma_0_sl: 0.001
            h_0_sl-sl: 75.0e+6
            h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
            n_sl: 20
            output: [xi_sl]
            xi_0_sl: [31.0e+6]
            xi_inf_sl: [63.0e+6]
    damask_post_processing:
    - name: add_stress_Cauchy
      args: {P: P, F: F}
      opts: {add_Mises: true}
    - name: add_strain
      args: {F: F, t: V, m: 0}
      opts: {add_Mises: true}
    - name: add_strain
      args: {F: F_p, t: V, m: 0}
      opts: {add_Mises: true}
    - name: add_IPF_color
      args: {l: [0, 0, 1]}
    VE_response_data:
      phase_data:
      - field_name: sigma_vM
        phase_name: Al
        out_name: vol_avg_equivalent_stress
        transforms: [mean_along_axes: 1]
      - field_name: epsilon_V^0(F)_vM
        phase_name: Al
        out_name: vol_avg_equivalent_strain
        transforms: [mean_along_axes: 1]
      - field_name: epsilon_V^0(F_p)_vM
        phase_name: Al
        out_name: vol_avg_equivalent_plastic_strain
        transforms: [mean_along_axes: 1]
      field_data:
      - field_name: phase
      - field_name: O
      grain_data:
      - field_name: O
        increments: [values: [0, -1]]
    damask_viz:
      fields: [F, F_p, P, sigma_vM, IPFcolor_(0 0 1), phase]
      increments: [{start: 10, stop: 20, step: 2}]