feat: add task to generate VE from PyAPD

Author: aplowman

matflow/data/template_components/task_schemas.yaml

@@ -1422,6 +1422,29 @@
       script_data_out: direct
       script_exe: python_script
 
+- objective: generate_volume_element
+  method: APD
+  inputs:
+    - parameter: num_grains
+    - parameter: VE_grid_size
+    - parameter: VE_size
+    - parameter: phase_label
+    - parameter: homog_label
+      default_value: SX
+    - parameter: orientations
+      default_value: null
+  outputs:
+    - parameter: volume_element
+  actions:
+    - script: <<script:pyapd/generate_VE_PyAPD.py>>
+      script_data_in: direct
+      script_data_out: direct
+      script_exe: python_script
+      environments:
+        - scope:
+            type: any
+          environment: damask_parse_env
+
 - objective: load_microstructure
   doc: Get a 2D microstructure model from a differential interference contrast microscopy image.
   method: EBSD_DIC

matflow/data/workflows/damask_apd.yaml

@@ -0,0 +1,84 @@
+
+tasks:
+  - schema: generate_volume_element_APD
+    inputs:
+      VE_grid_size: [8, 8, 8]
+      VE_size: [1, 1, 1]
+      num_grains: 4
+      phase_label: Al
+
+  - schema: visualise_VE_VTK
+
+  - schema: simulate_VE_loading_damask
+    inputs:
+      load_case::uniaxial:
+        total_time: 100
+        num_increments: 200
+        direction: x
+        target_def_grad_rate: 1.0e-3
+        dump_frequency: 1
+      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, epsilon_V^0(F_p)_vM, IPFcolor_(0 0 1), phase]
+        increments:
+          - step: 20
+      calculate_yield_stress:
+        yield_point: 0.002

matflow/data/workflows/generate_VE_APD.yaml

@@ -0,0 +1,9 @@
+tasks:
+  - schema: generate_volume_element_APD
+    inputs:
+      VE_grid_size: [16, 16, 16]
+      VE_size: [1, 1, 1]
+      num_grains: 10
+      phase_label: Al
+
+  - schema: visualise_VE_VTK