Merge pull request #120 from DataAnalyticsEngineering/FANS-v0.6.1

Author: sanathkeshav

.github/workflows/build_and_test.yaml

@@ -30,7 +30,7 @@ jobs:
         UBUNTU_VERSION: [noble, jammy]
     steps:
       - name: Checkout code
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: prefix-dev/[email protected]

.github/workflows/docker.yaml

@@ -12,7 +12,7 @@ jobs:
 
     steps:
       - name: Checkout code
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up QEMU
         uses: docker/setup-qemu-action@v3

.github/workflows/pixi_build.yaml

@@ -20,7 +20,7 @@ jobs:
         os: [ubuntu-latest, macos-latest]
     steps:
       - name: Checkout code
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
 
       - name: Set up pixi
         uses: prefix-dev/[email protected]

.github/workflows/run-checks.yml

@@ -13,7 +13,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Check out repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
       - name: Create markdownlint config
         run: |
           cat > .markdownlint.json << 'EOF'
@@ -35,7 +35,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Check out repository
-        uses: actions/checkout@v5
+        uses: actions/checkout@v6
       - name: Create markdown-link-check config
         run: |
           cat > .markdown-link-check-config.json << 'EOF'
@@ -59,7 +59,7 @@ jobs:
     name: pre-commit checks
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v5
+      - uses: actions/checkout@v6
       - name: Setup python
         uses: actions/setup-python@v6
         with:

.github/workflows/test_pyfans.yaml

@@ -22,7 +22,7 @@ jobs:
     steps:
 
     - name: Checkout repository
-      uses: actions/checkout@v5
+      uses: actions/checkout@v6
 
     - name: Generate build directory
       run: mkdir -p ${{ env.FANS_BUILD_DIR }}

CHANGELOG.md

@@ -1,5 +1,9 @@
 # FANS Changelog
 
+## v0.6.1
+
+- Adds support to write integration point data to disk [#117](https://github.com/DataAnalyticsEngineering/FANS/pull/117)
+
 ## v0.6.0
 
 - Introduce MaterialManager abstraction class to handle multiple material models within the microstructure [#115](https://github.com/DataAnalyticsEngineering/FANS/pull/115)

CMakeLists.txt

@@ -5,7 +5,7 @@ cmake_minimum_required(VERSION 3.21)
 # ##############################################################################
 
 project(FANS
-        VERSION 0.6.0
+        VERSION 0.6.1
         LANGUAGES C CXX
 )
 
@@ -165,6 +165,7 @@ set_property(TARGET FANS_FANS PROPERTY PUBLIC_HEADER
         include/material_models/LinearElastic.h
         include/material_models/PseudoPlastic.h
         include/material_models/J2Plasticity.h
+        include/material_models/J2PlasticityNew.h
 
         include/material_models/SaintVenantKirchhoff.h
         include/material_models/CompressibleNeoHookean.h

README.md

@@ -62,8 +62,8 @@ To get started immediately, we include ready to use example [input files](test/i
 
 FANS requires the following dependencies:
 
-| Dependency | Purpose |  |
-|------------|---------|------------------|
+| Dependency | Purpose | |
+| ------------ | --------- | ------------------ |
 | **C++ Compiler** | (GCC, Clang, etc.) | C++17 or newer |
 | **CMake** | Build system | ≥ 3.21 |
 | **MPI** | Parallel computing | (OpenMPI, MPICH, Intel MPI) |
@@ -186,7 +186,7 @@ cd ../test
 **Build options:**
 
 | CMake Option | Description | Default |
-|--------------|-------------|---------|
+| -------------- | ------------- | --------- |
 | `CMAKE_BUILD_TYPE` | Build type: `Debug`, `Release`, `RelWithDebInfo` | `NONE` |
 | `CMAKE_INTERPROCEDURAL_OPTIMIZATION` | Enable link-time optimization (LTO) | `ON` (if supported) |
 | `FANS_BUILD_STATIC` | Build static library | `OFF` |
@@ -359,9 +359,10 @@ FANS also supports mixed boundary conditions, where some components can be strai
   - `microstructure`: The original microstructure data.
   - `displacement`: The displacement field (for mechanical problems) and temperature field (for thermal problems) at each voxel in the microstructure.
   - `displacement_fluctuation`: The periodic displacement fluctuation field (for mechanical problems) and periodic temperature fluctuation field (for thermal problems at each voxel in the microstructure).
-  - `stress` and `strain`: The stress and strain fields at each voxel in the microstructure.
+  - `stress` and `strain`: The stress and strain fields (element-averaged) at each voxel in the microstructure.
+  - `stress_gp` and `strain_gp`: The stress and strain fields at all Gauss points within each element.
 
-- Additional material model-specific results can be included depending on the problem type and material model.
+- Additional material model-specific results can be included depending on the problem type and material model. For plasticity models, internal variables such as `plastic_strain`, `isotropic_hardening_variable`, etc., are available. Append `_gp` to these field names (e.g., `plastic_strain_gp`) to output data at all Gauss points.
 
 ## Acknowledgements
 

include/material_models/GBDiffusion.h

@@ -179,7 +179,7 @@ class GBDiffusion : public ThermalModel, public LinearModel<1, 3> {
                     GBnormals_field[element_idx * 3 + 2] = GBnormals[3 * mat_index + 2];
                 }
             }
-            reader.writeSlab("GBnormals", load_idx, time_idx, GBnormals_field, 3);
+            reader.writeSlab("GBnormals", load_idx, time_idx, GBnormals_field, {3});
             FANS_free(GBnormals_field);
         }
     }

include/material_models/J2Plasticity.h

@@ -244,21 +244,81 @@ class J2ViscoPlastic_NonLinearIsotropicHardening : public J2Plasticity {
 
 inline void J2Plasticity::postprocess(Solver<3, 6> &solver, Reader &reader, int load_idx, int time_idx)
 {
-    int      n_str                             = 6; // The plastic strain and stress vectors have 6 components each
-    VectorXd mean_plastic_strain               = VectorXd::Zero(solver.local_n0 * solver.n_y * solver.n_z * n_str);
-    VectorXd mean_isotropic_hardening_variable = VectorXd::Zero(solver.local_n0 * solver.n_y * solver.n_z);
-    VectorXd mean_kinematic_hardening_variable = VectorXd::Zero(solver.local_n0 * solver.n_y * solver.n_z * n_str);
+    int n_str = 6;
+    int n_gp  = plasticStrain_t[0].cols();
+
+    // Check what user requested
+    auto &results                = reader.resultsToWrite;
+    bool  need_plastic_strain    = std::find(results.begin(), results.end(), "plastic_strain") != results.end();
+    bool  need_plastic_strain_gp = std::find(results.begin(), results.end(), "plastic_strain_gp") != results.end();
+    bool  need_iso_hard          = std::find(results.begin(), results.end(), "isotropic_hardening_variable") != results.end();
+    bool  need_iso_hard_gp       = std::find(results.begin(), results.end(), "isotropic_hardening_variable_gp") != results.end();
+    bool  need_kin_hard          = std::find(results.begin(), results.end(), "kinematic_hardening_variable") != results.end();
+    bool  need_kin_hard_gp       = std::find(results.begin(), results.end(), "kinematic_hardening_variable_gp") != results.end();
+
+    // Conditional allocation
+    VectorXd *plastic_strain_elem = need_plastic_strain ? new VectorXd(solver.local_n0 * solver.n_y * solver.n_z * n_str) : nullptr;
+    VectorXd *plastic_strain_gp   = need_plastic_strain_gp ? new VectorXd(solver.local_n0 * solver.n_y * solver.n_z * n_gp * n_str) : nullptr;
+    VectorXd *iso_hard_elem       = need_iso_hard ? new VectorXd(solver.local_n0 * solver.n_y * solver.n_z) : nullptr;
+    VectorXd *iso_hard_gp         = need_iso_hard_gp ? new VectorXd(solver.local_n0 * solver.n_y * solver.n_z * n_gp) : nullptr;
+    VectorXd *kin_hard_elem       = need_kin_hard ? new VectorXd(solver.local_n0 * solver.n_y * solver.n_z * n_str) : nullptr;
+    VectorXd *kin_hard_gp         = need_kin_hard_gp ? new VectorXd(solver.local_n0 * solver.n_y * solver.n_z * n_gp * n_str) : nullptr;
 
-    // Compute the mean values for each element
     for (ptrdiff_t elem_idx = 0; elem_idx < solver.local_n0 * solver.n_y * solver.n_z; ++elem_idx) {
-        mean_plastic_strain.segment(n_str * elem_idx, n_str)               = plasticStrain_t[elem_idx].rowwise().mean();
-        mean_isotropic_hardening_variable(elem_idx)                        = psi_t[elem_idx].mean();
-        mean_kinematic_hardening_variable.segment(n_str * elem_idx, n_str) = psi_bar_t[elem_idx].rowwise().mean();
+        // Element averages
+        if (need_plastic_strain) {
+            (*plastic_strain_elem).segment(n_str * elem_idx, n_str) = plasticStrain_t[elem_idx].rowwise().mean();
+        }
+        if (need_iso_hard) {
+            (*iso_hard_elem)(elem_idx) = psi_t[elem_idx].mean();
+        }
+        if (need_kin_hard) {
+            (*kin_hard_elem).segment(n_str * elem_idx, n_str) = psi_bar_t[elem_idx].rowwise().mean();
+        }
+
+        // All Gauss point data
+        if (need_plastic_strain_gp || need_iso_hard_gp || need_kin_hard_gp) {
+            for (int gp = 0; gp < n_gp; ++gp) {
+                if (need_plastic_strain_gp) {
+                    (*plastic_strain_gp).segment(n_str * n_gp * elem_idx + n_str * gp, n_str) = plasticStrain_t[elem_idx].col(gp);
+                }
+                if (need_iso_hard_gp) {
+                    (*iso_hard_gp)(n_gp *elem_idx + gp) = psi_t[elem_idx](gp);
+                }
+                if (need_kin_hard_gp) {
+                    (*kin_hard_gp).segment(n_str * n_gp * elem_idx + n_str * gp, n_str) = psi_bar_t[elem_idx].col(gp);
+                }
+            }
+        }
     }
 
-    reader.writeSlab("plastic_strain", load_idx, time_idx, mean_plastic_strain.data(), n_str);
-    reader.writeSlab("isotropic_hardening_variable", load_idx, time_idx, mean_isotropic_hardening_variable.data(), 1);
-    reader.writeSlab("kinematic_hardening_variable", load_idx, time_idx, mean_kinematic_hardening_variable.data(), n_str);
+    // Write only what was requested
+    if (need_plastic_strain)
+        reader.writeSlab("plastic_strain", load_idx, time_idx, plastic_strain_elem->data(), {n_str});
+    if (need_plastic_strain_gp)
+        reader.writeSlab("plastic_strain_gp", load_idx, time_idx, plastic_strain_gp->data(), {n_gp, n_str});
+    if (need_iso_hard)
+        reader.writeSlab("isotropic_hardening_variable", load_idx, time_idx, iso_hard_elem->data(), {1});
+    if (need_iso_hard_gp)
+        reader.writeSlab("isotropic_hardening_variable_gp", load_idx, time_idx, iso_hard_gp->data(), {n_gp});
+    if (need_kin_hard)
+        reader.writeSlab("kinematic_hardening_variable", load_idx, time_idx, kin_hard_elem->data(), {n_str});
+    if (need_kin_hard_gp)
+        reader.writeSlab("kinematic_hardening_variable_gp", load_idx, time_idx, kin_hard_gp->data(), {n_gp, n_str});
+
+    // Cleanup
+    if (plastic_strain_elem)
+        delete plastic_strain_elem;
+    if (plastic_strain_gp)
+        delete plastic_strain_gp;
+    if (iso_hard_elem)
+        delete iso_hard_elem;
+    if (iso_hard_gp)
+        delete iso_hard_gp;
+    if (kin_hard_elem)
+        delete kin_hard_elem;
+    if (kin_hard_gp)
+        delete kin_hard_gp;
 }
 
 #endif // J2PLASTICITY_H