diff --git a/.github/workflows/build_and_test.yaml b/.github/workflows/build_and_test.yaml index 0040aa2..0f102c2 100644 --- a/.github/workflows/build_and_test.yaml +++ b/.github/workflows/build_and_test.yaml @@ -33,7 +33,7 @@ jobs: uses: actions/checkout@v5 - name: Set up pixi - uses: prefix-dev/setup-pixi@v0.9.2 + uses: prefix-dev/setup-pixi@v0.9.3 with: environments: dashboard diff --git a/.github/workflows/pixi_build.yaml b/.github/workflows/pixi_build.yaml index f659c8a..dda6014 100644 --- a/.github/workflows/pixi_build.yaml +++ b/.github/workflows/pixi_build.yaml @@ -23,7 +23,7 @@ jobs: uses: actions/checkout@v5 - name: Set up pixi - uses: prefix-dev/setup-pixi@v0.9.2 + uses: prefix-dev/setup-pixi@v0.9.3 with: environments: default diff --git a/.github/workflows/run-checks.yml b/.github/workflows/run-checks.yml index 9e239ed..67c4f93 100644 --- a/.github/workflows/run-checks.yml +++ b/.github/workflows/run-checks.yml @@ -20,7 +20,8 @@ jobs: { "MD013": false, "MD033": false, - "MD034": false + "MD034": false, + "MD041": false } EOF - name: Lint markdown files (markdownlint) diff --git a/CHANGELOG.md b/CHANGELOG.md index c45974b..92adfb4 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,10 @@ # FANS Changelog +## v0.6.0 + +- Introduce MaterialManager abstraction class to handle multiple material models within the microstructure [#115](https://github.com/DataAnalyticsEngineering/FANS/pull/115) +- Bugfix: `homogenized_tangent` was computed but not written to HDF5 output [#113](https://github.com/DataAnalyticsEngineering/FANS/pull/113) + ## v0.5.2 - Bugfix: Fix bad initial guess for time steps > 0 [#109](https://github.com/DataAnalyticsEngineering/FANS/pull/109) diff --git a/CMakeLists.txt b/CMakeLists.txt index 485cfe8..57be65d 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -5,7 +5,7 @@ cmake_minimum_required(VERSION 3.21) # ############################################################################## project(FANS - VERSION 0.5.2 + VERSION 0.6.0 LANGUAGES C CXX ) @@ -151,6 +151,7 @@ target_include_directories(FANS_FANS PUBLIC $ + Example Image +

- Example Image + GitHub Release + Anaconda-Server Badge + Build and test pixi-build + Anaconda-Server Badge + Pixi Badge + Last commit + License + Stars

-## Table of contents +# Fourier-Accelerated Nodal Solver (FANS) -- [Dependencies](#dependencies) -- [Building](#building) -- [Installing](#installing) -- [Input File Format](#input-file-format) +Fourier-Accelerated Nodal Solver (FANS) is an FFT-based homogenization solver for microscale multiphysics problems. FANS is written in C++, built using CMake, and it has MPI parallelization. -## Dependencies +## Table of Contents -FANS has the following dependencies: +- [Quick start](#quick-start) +- [Build from source](#build-from-source) + - [Installing dependencies](#installing-dependencies) + - [Building FANS](#building-fans) +- [Python environment for the FANS dashboard](#python-environment-for-the-fans-dashboard) +- [Input file format](#input-file-format) + - [Microstructure definition](#microstructure-definition) + - [Problem type and material model](#problem-type-and-material-model) + - [Solver settings](#solver-settings) + - [Macroscale loading conditions](#macroscale-loading-conditions) + - [Results specification](#results-specification) -- A C++ compiler (e.g., GCC, Clang, etc.) -- CMake (version 3.21 or higher) -- Git (for cloning this repo) -- MPI (mpicc and mpic++) -- HDF5 with MPI support -- Eigen3 -- FFTW3 with MPI support -- nlohmann-json (for JSON input parsing) +## Quick start -### Installing dependencies +**Want to get started immediately?** + +FANS is available as a precompiled binary on [conda-forge](https://anaconda.org/conda-forge/fans). Package managers such as [conda](https://docs.conda.io/projects/conda/en/latest/user-guide/install/index.html), [mamba](https://mamba.readthedocs.io/en/latest/installation/mamba-installation.html), [micromamba](https://mamba.readthedocs.io/en/latest/installation/micromamba-installation.html), and [Pixi](https://pixi.sh) can be used to install FANS from the conda-forge channel. + +Use [Pixi](https://pixi.sh) (recommended): + +```bash +# Install Pixi (if not already installed) +curl -fsSL https://pixi.sh/install.sh | sh + +# Install FANS via Pixi +pixi global install fans + +# Verify installation +FANS --version +``` + +That's it! No dependencies to install, no compilation needed πŸš€ + +To get started immediately, we include ready to use example [input files](test/input_files/) and [microstructures](test/microstructures/) you can use as templates to create your own. + +--- + +## Build from source -- On Debian-based systems, we recommend installing the dependencies using `apt`, +**Recommended for:** Developers, contributors, HPC users, or those needing custom builds. - ```bash - apt-get install \ - libhdf5-dev \ - libhdf5-openmpi-dev \ - libopenmpi-dev \ - libeigen3-dev \ - libfftw3-dev \ - libfftw3-mpi-dev \ - nlohmann-json3-dev - ``` +FANS requires the following dependencies: -- On macOS, you can obtain the dependencies using `brew` and set the environment variables: +| Dependency | Purpose | | +|------------|---------|------------------| +| **C++ Compiler** | (GCC, Clang, etc.) | C++17 or newer | +| **CMake** | Build system | β‰₯ 3.21 | +| **MPI** | Parallel computing | (OpenMPI, MPICH, Intel MPI) | +| **HDF5** | Data I/O | **with MPI support** | +| **FFTW3** | FFT computations | **with MPI support** | +| **Eigen3** | Linear algebra | β‰₯ 3.4 | +| **nlohmann-json** | JSON parsing | β‰₯ 3.11 | - ```zsh - brew install gnu-time cmake gcc@15 - brew install open-mpi --build-from-source --cc=gcc-15 - brew install hdf5-mpi --build-from-source --cc=gcc-15 - brew install fftw eigen nlohmann-json +### Installing dependencies - export CC=gcc-15 CXX=g++-15 MPICC=mpicc MPICXX=mpicxx - ``` +
-### Setting up a Python environment + Using Pixi (Cross-platform - Easiest for source builds) -Also, we recommend setting up a Python virtual environment for the [`FANS_Dashboard.ipynb`](FANS_Dashboard/FANS_Dashboard.ipynb) via [pixi](https://pixi.sh/) with all required Python dependencies in an isolated environment: +This uses the repository's [pixi.toml](pixi.toml) to define the `dev` environment. ```bash -# Install Pixi if not done already, -curl -fsSL https://pixi.sh/install.sh | sh +# Clone the repository +git clone https://github.com/DataAnalyticsEngineering/FANS.git +cd FANS -# Create and activate the environment -pixi shell -e dashboard +# Enter development environment (all dependencies pre-installed!) +pixi shell -e dev ``` -We also provide a set of Docker images. For further information, please refer to the [Docker README](docker/README.md). +
-### Installing dependencies using Spack +
+Linux (Debian/Ubuntu) -Spack is a package manager designed for high-performance computing environments. It simplifies the installation of complex software stacks, making it ideal for setting up FANS on HPC systems. +We recommend installing the dependencies using `apt`: -1. **Install Spack** by following these [installation instructions](https://spack.readthedocs.io/en/latest/getting_started.html). +```bash +apt-get install -y \ + build-essential \ + cmake \ + git \ + file \ + libhdf5-dev \ + libhdf5-openmpi-dev \ + libopenmpi-dev \ + libeigen3-dev \ + libfftw3-dev \ + libfftw3-mpi-dev \ + nlohmann-json3-dev +``` -2. **Install Dependencies**: Once Spack is set up, install the required dependencies: +
- ```bash - spack install cmake - spack install mpi - spack install hdf5 +cxx +mpi - spack install eigen - spack install fftw +mpi - spack install nlohmann-json - ``` +
+macOS - Additionally, optimized FFTW implementations can be used depending on your system's architecture, for example `amdfftw` (For AMD systems) or `cray-fftw` (For Cray systems), or `fujitsu-fftw` (For Fujitsu systems). +We recommend installing the dependencies using [`brew`](https://brew.sh): -3. **Load Dependencies** Once dependencies are installed, load them before building: +```bash +brew install gnu-time cmake gcc@15 +brew install open-mpi --build-from-source --cc=gcc-15 +brew install hdf5-mpi --build-from-source --cc=gcc-15 +brew install fftw eigen nlohmann-json + +# Set environment variables +export CC=gcc-15 CXX=g++-15 MPICC=mpicc MPICXX=mpicxx +``` - ```bash - spack load cmake mpi hdf5 eigen fftw nlohmann-json - ``` +
-## Building +
+ Using Spack (HPC environments) -1. Clone the repository: +[Spack](https://spack.readthedocs.io/en/latest/) is a flexible package manager for building and managing software stacks in high-performance computing environments. Install Spack by following these [installation instructions](https://spack.readthedocs.io/en/latest/getting_started.html). Once Spack is set up, install the required dependencies: - ```bash - git clone https://github.com/DataAnalyticsEngineering/FANS.git - cd FANS - ``` +```bash +spack install cmake +spack install mpi +spack install hdf5+cxx+mpi +spack install eigen +spack install fftw+mpi +spack install nlohmann-json + +# Load dependencies +spack load cmake mpi hdf5 eigen fftw nlohmann-json +``` -2. Configure the build using CMake: +Additionally, optimized FFTW implementations can be used depending on your system's architecture: - ```bash - mkdir build - cd build - cmake .. - ``` +- AMD systems: `spack install amdfftw+mpi` +- Cray systems: `spack install cray-fftw+mpi` +- Fujitsu systems: `spack install fujitsu-fftw+mpi` -3. Compile: +
- ```bash - cmake --build . -j - ``` +
+Docker images -The compilation symlinks the generated `FANS` binary into the `test/` directory for convenience. +Pre-configured Docker images are available for containerized deployments. See [`docker/README.md`](docker/README.md) for further details. -### Configuring a build +
-The following CMake configuration options exist: +### Building FANS -- `CMAKE_BUILD_TYPE`: Sets the build type. Common values are Debug, Release, RelWithDebInfo, and MinSizeRel. - - Default: NONE +```bash +# Clone the repository +git clone https://github.com/DataAnalyticsEngineering/FANS.git +cd FANS -- `FANS_BUILD_STATIC`: Build static library instead of shared library. - - Default: OFF +# Create build directory +mkdir build && cd build -- `CMAKE_INTERPROCEDURAL_OPTIMIZATION`: Enable inter-procedural optimization (IPO) for all targets. - - Default: ON (if supported) - - Note: When you run the configure step for the first time, IPO support is automatically checked and enabled if available. A status message will indicate whether IPO is activated or not supported. +# Configure (basic) +cmake .. -## Installing +# Build +cmake --build . -j -Install FANS (system-wide) using the following options: +# Run tests with 8 mpi processes +cd ../test +./run_tests.sh -n 8 +``` -1. Using CMake (sudo required if --prefix is omitted): +**Build options:** - ```bash - cmake --install . [--prefix ] - ``` +| 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` | +| `CMAKE_INSTALL_PREFIX` | Installation directory | System default | +| `FANS_LIBRARY_FOR_MICRO_MANAGER` | Build Python bindings using Pybind11 (needed) | `OFF` | +| `FANS_ENABLE_SANITIZERS` | Enable runtime sanitizers (AddressSanitizer and LeakSanitizer) for memory debugging | `OFF` | -### Install using Conda +--- -[![Anaconda-Server Badge](https://anaconda.org/conda-forge/fans/badges/version.svg)](https://anaconda.org/conda-forge/fans) -[![Anaconda-Server Badge](https://anaconda.org/conda-forge/fans/badges/platforms.svg)](https://anaconda.org/conda-forge/fans) -[![Anaconda-Server Badge](https://anaconda.org/conda-forge/fans/badges/downloads.svg)](https://anaconda.org/conda-forge/fans) +## Python environment for the FANS dashboard -FANS is also available as a conda package on [conda-forge/fans](https://anaconda.org/conda-forge/fans). No dependencies have to be manually installed for it to work. -It can be installed via +FANS includes [`FANS_Dashboard.ipynb`](FANS_Dashboard/FANS_Dashboard.ipynb), a comprehensive pipeline for post-processing, visualization, and analysis of simulation results. We recommend setting up a Python virtual environment via [Pixi](https://pixi.sh/) with all required Python dependencies in an isolated environment: ```bash -conda install conda-forge::fans +# Install and activate the dashboard environment +pixi shell -e dashboard ``` -exposing the executable `FANS`. +The `dashboard` environment includes: + +- Python +- Jupyter notebook (`ipykernel`) +- [MSUtils](https://github.com/DataAnalyticsEngineering/MSUtils) for FANS-specific utilities +- Testing tools (`pytest`) +- Code quality tools (`pre-commit`) -## Input File Format +See [`FANS_Dashboard`](FANS_Dashboard/) for further details. + +--- + +## Input file format FANS requires a JSON input file specifying the problem parameters. Example input files can be found in the [`test/input_files`](test/input_files) directory. It is recommended to use these files as a reference to create your input file. -### Microstructure Definition +### Microstructure definition ```json "microstructure": { @@ -173,36 +235,53 @@ FANS requires a JSON input file specifying the problem parameters. Example input - `datasetname`: This is the path within the HDF5 file to the specific dataset that represents the microstructure. - `L`: Microstructure length defines the physical dimensions of the microstructure in the $x$, $y$, and $z$ directions. -### Problem Type and Material Model +### Problem type and material model ```json "problem_type": "mechanical", -"matmodel": "LinearElasticIsotropic", "strain_type": "small", -"material_properties": { - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667] - } +"materials": [ + { + "phases": [0], + "matmodel": "PseudoPlasticLinearHardening", + "material_properties": { + "bulk_modulus": [62.5000], + "shear_modulus": [28.8462], + "yield_stress": [0.1], + "hardening_parameter": [0.0] + } + }, + { + "phases": [1], + "matmodel": "LinearElasticIsotropic", + "material_properties": { + "bulk_modulus": [222.222], + "shear_modulus": [166.6667] + } + } +] ``` -- `problem_type`: This defines the type of physical problem you are solving. Common options include `thermal` problems and `mechanical` problems. -- `matmodel`: This specifies the material model to be used in the simulation. Examples include +- `problem_type`: This defines the type of physical problem you are solving. Options include `thermal` problems and `mechanical` problems. +- `strain_type`: This indicates whether the problem is formulated using infinitesimal (`small`) strain or finite (`large`) strain theory. +- `materials`: An array of material groups, where each group assigns one or more phases to a specific material model. Each material group contains: + - `phases`: An array of phase IDs (material labels) from the microstructure that use this material model. + - `matmodel`: The constitutive model for this material group. Available models include: - - `LinearThermalIsotropic` for linear isotropic conductive material model. - - `LinearThermalTriclinic` for linear triclinic conductive material model. - - `GBDiffusion` for diffusion model with transversely isotropic grain boundary and isotropic bulk for polycrystalline materials. + - `LinearThermalIsotropic` for linear isotropic conductive material model. + - `LinearThermalTriclinic` for linear triclinic conductive material model. + - `GBDiffusion` for diffusion model with transversely isotropic grain boundary and isotropic bulk for polycrystalline materials. - - `LinearElasticIsotropic` for linear isotropic elastic material model. - - `LinearElasticTriclinic` for linear triclinic elastic material model. - - `PseudoPlasticLinearHardening` / `PseudoPlasticNonLinearHardening` for plasticity mimicking model with linear/nonlinear hardening. - - `J2ViscoPlastic_LinearIsotropicHardening` / `J2ViscoPlastic_NonLinearIsotropicHardening` for rate-independent / dependent J2 plasticity model with kinematic and linear/nonlinear isotropic hardening. - - `SaintVenantKirchhoff` for the hyperelastic Saint Venant-Kirchhoff material model. - - `CompressibleNeoHookean` for the compressible Neo-Hookean material model. + - `LinearElasticIsotropic` for linear isotropic elastic material model. + - `LinearElasticTriclinic` for linear triclinic elastic material model. + - `PseudoPlasticLinearHardening` / `PseudoPlasticNonLinearHardening` for plasticity mimicking model with linear/nonlinear hardening. + - `J2ViscoPlastic_LinearIsotropicHardening` / `J2ViscoPlastic_NonLinearIsotropicHardening` for rate-independent / dependent J2 plasticity model with kinematic and linear/nonlinear isotropic hardening. + - `SaintVenantKirchhoff` for the hyperelastic Saint Venant-Kirchhoff material model. + - `CompressibleNeoHookean` for the compressible Neo-Hookean material model. -- `strain_type`: This indicates whether the problem is formulated using infinitesimal (`small`) strain or finite (`large`) strain theory. -- `material_properties`: This provides the necessary material parameters for the chosen material model. For thermal problems, you might specify `conductivity`, while mechanical problems might require `bulk_modulus`, `shear_modulus`, and more properties for advanced material models. These properties can be defined as arrays to represent multiple phases within the microstructure. + - `material_properties`: Material parameters specific to the chosen model. Properties are defined as arrays, where each element corresponds to one of the phases listed in the `phases` array. -### Solver Settings +### Solver settings ```json "FE_type": "HEX8", @@ -218,7 +297,7 @@ FANS requires a JSON input file specifying the problem parameters. Example input - `FE_type`: This specifies the type of finite element to be used. Common options include: - `HEX8`: Standard trilinear hexahedral elements with full integration (8 Gauss points). Suitable for most problems but may exhibit volumetric locking for nearly incompressible materials (Poisson's ratio ~ 0.5). - `BBAR`: B-bar elements with selective reduced integration to mitigate volumetric locking. Recommended for materials with high Poisson's ratios (0.4 to 0.5). - - `HEX8R`: Reduced integration elements with a single Gauss point at the element center. Use with caution as they may lead to hourglassing and less accurate results. + - `HEX8R`: Reduced integration elements with a single Gauss point at the element center. Use with cautionβ€”these may produce less accurate field results and can cause local material issues such as negative Jacobian ($J < 0$), leading to nonphysical solutions (hourglassing). - `method`: This indicates the numerical method to be used for solving the system of equations. `cg` stands for the Conjugate Gradient method, and `fp` stands for the Fixed Point method. - `error_parameters`: This section defines the error parameters for the solver. Error control is applied to the finite element nodal residual of the problem. - `measure`: Specifies the norm used to measure the error. Options include `Linfinity`, `L1`, or `L2`. @@ -226,7 +305,7 @@ FANS requires a JSON input file specifying the problem parameters. Example input - `tolerance`: Sets the tolerance level for the solver, defining the convergence criterion based on the chosen error measure. The solver iterates until the solution meets this tolerance. - `n_it`: Specifies the maximum number of iterations allowed for the FANS solver. -### Macroscale Loading Conditions +### Macroscale loading conditions ```json "macroscale_loading": [ @@ -246,9 +325,9 @@ FANS requires a JSON input file specifying the problem parameters. Example input ``` - `macroscale_loading`: This defines the external loading applied to the microstructure. It is an array of arrays, where each sub-array represents a load path applied to the system. The format of the load path depends on the problem type: - - For `thermal` problems, the array typically has 3 components, representing the temperature gradients in the $x$, $y$, and $z$ directions. - - For `small` strain `mechanical` problems, the array must have 6 components, corresponding to the components of the strain tensor in Mandel notation (e.g., $[\varepsilon_{11}, \varepsilon_{22}, \varepsilon_{33}, \sqrt{2}\varepsilon_{12}, \sqrt{2}\varepsilon_{13}, \sqrt{2}\varepsilon_{23}]$). - - For `large` strain `mechanical` problems, the array must have 9 components, corresponding to the deformation gradient tensor components (e.g., $[F_{11}, F_{12}, F_{13}, F_{21}, F_{22}, F_{23}, F_{31}, F_{32}, F_{33}]$). + - For `thermal` problems, the array typically has 3 components, representing the macroscale temperature gradients in the $x$, $y$, and $z$ directions. + - For `small` strain `mechanical` problems, the array must have 6 components, corresponding to the macroscale strain tensor in Mandel notation: $[\varepsilon_{11},\ \varepsilon_{22},\ \varepsilon_{33},\ \sqrt{2}\,\varepsilon_{12},\ \sqrt{2}\,\varepsilon_{13},\ \sqrt{2}\,\varepsilon_{23}]$. + - For `large` strain `mechanical` problems, the array must have 9 components, corresponding to the macroscale deformation gradient tensor: $[F_{11},\ F_{12},\ F_{13},\ F_{21},\ F_{22},\ F_{23},\ F_{31},\ F_{32},\ F_{33}]$. In the case of path/time-dependent loading, as shown, for example, in plasticity problems, the `macroscale_loading` array can include multiple steps with corresponding loading conditions. @@ -265,7 +344,7 @@ FANS also supports mixed boundary conditions, where some components can be strai }] ``` -### Results Specification +### Results specification ```json "results": ["stress_average", "strain_average", "absolute_error", "phase_stress_average", "phase_strain_average", diff --git a/include/MaterialManager.h b/include/MaterialManager.h new file mode 100644 index 0000000..cbff981 --- /dev/null +++ b/include/MaterialManager.h @@ -0,0 +1,278 @@ +#ifndef MATERIALMANAGER_H +#define MATERIALMANAGER_H + +#include "general.h" +#include "matmodel.h" + +template +Matmodel *createMatmodel(const Reader &reader); + +/** + * @brief Lightweight struct for fast material model lookup in hot loops + */ +template +struct MaterialInfo { + Matmodel *model; + LinearModel *linear_model; // Pre-cast pointer (nullptr if nonlinear) + int local_mat_id; + bool is_linear; +}; + +/** + * @brief MaterialManager: Manages multiple material models for multi-material simulations + * + * Enables different phases in the microstructure to use different constitutive models. + * + */ +template +class MaterialManager { + private: + MaterialInfo *phase_to_info{nullptr}; // [n_phases] - HOT DATA + int n_phases; + + public: + vector *> models; // vector of unique material models + Matrix kapparef_mat; // Reference stiffness for fundamental solution + bool all_linear{true}; // True if ALL phases use linear models + + MaterialManager(const Reader &reader) + { + // Check for old format (backward compatibility) + json materials_json; + if (reader.inputJson.contains("matmodel") && reader.inputJson.contains("material_properties")) { + // Old format: convert to new format + json mat_group; + mat_group["matmodel"] = reader.inputJson["matmodel"]; + mat_group["material_properties"] = reader.inputJson["material_properties"]; + + // Infer phases from material_properties array length + auto props = reader.inputJson["material_properties"]; + int n_mats = 0; + for (auto it = props.begin(); it != props.end(); ++it) { + if (it.value().is_array()) { + n_mats = it.value().size(); + break; + } + } + vector phases(n_mats); + for (int i = 0; i < n_mats; ++i) + phases[i] = i; + mat_group["phases"] = phases; + + materials_json = json::array({mat_group}); + } else { + materials_json = reader.inputJson.at("materials"); + } + + const auto &mats = materials_json; + if (!mats.is_array() || mats.empty()) + throw std::runtime_error("MaterialManager: 'materials' must be non-empty array"); + + int max_phase = -1; + for (const auto &mg : mats) { + if (!mg.contains("phases") || !mg.contains("matmodel") || !mg.contains("material_properties")) + throw std::runtime_error("MaterialManager: material group missing required fields"); + + for (int p : mg["phases"].get>()) + max_phase = std::max(max_phase, p); + } + + n_phases = max_phase + 1; + if (n_phases == 0) + throw std::runtime_error("MaterialManager: No phases defined"); + + phase_to_info = new MaterialInfo[n_phases](); + + // Create models and map phases + for (const auto &mg : mats) { + auto *model = create_material_model_from_json(mg, reader); + models.push_back(model); + + auto *linear_model = dynamic_cast *>(model); + bool is_linear = (linear_model != nullptr); + if (!is_linear) + all_linear = false; + + auto phases = mg["phases"].get>(); + for (size_t i = 0; i < phases.size(); ++i) { + int p = phases[i]; + if (p < 0 || p >= n_phases || phase_to_info[p].model) + throw std::runtime_error("MaterialManager: Invalid or duplicate phase " + std::to_string(p)); + phase_to_info[p] = {model, linear_model, static_cast(i), is_linear}; + } + } + + // Verify all phases assigned + for (int p = 0; p < n_phases; ++p) + if (!phase_to_info[p].model) + throw std::runtime_error("MaterialManager: Phase " + std::to_string(p) + " not assigned"); + + compute_reference_stiffness(reader); + + // Print detailed information about material configuration for logging + if (reader.world_rank == 0) { + printf("\n# MaterialManager initialized:\n"); + printf("# Number of material models: %zu\n", models.size()); + printf("# Number of phases: %d\n#\n", n_phases); + + for (size_t i = 0; i < mats.size(); ++i) { + const auto &mg = mats[i]; + printf("# Material Model %zu: %s\n", i + 1, mg["matmodel"].get().c_str()); + + // Print phases + auto phases = mg["phases"].get>(); + printf("# Phases: ["); + for (size_t j = 0; j < phases.size(); ++j) { + printf("%d", phases[j]); + if (j < phases.size() - 1) + printf(", "); + } + printf("]\n"); + + // Print material properties + printf("# Material properties:\n"); + const auto &props = mg["material_properties"]; + for (auto it = props.begin(); it != props.end(); ++it) { + printf("# %s: ", it.key().c_str()); + if (it.value().is_array()) { + printf("["); + for (size_t k = 0; k < it.value().size(); ++k) { + if (it.value()[k].is_number()) { + printf("%.5g", it.value()[k].get()); + } else if (it.value()[k].is_string()) { + printf("\"%s\"", it.value()[k].get().c_str()); + } + if (k < it.value().size() - 1) + printf(", "); + } + printf("]"); + } else if (it.value().is_number()) { + printf("%.5g", it.value().get()); + } else if (it.value().is_string()) { + printf("\"%s\"", it.value().get().c_str()); + } + printf("\n"); + } + printf("#\n"); + } + } + } + + ~MaterialManager() + { + for (auto *m : models) + delete m; + delete[] phase_to_info; + } + + // Initialize internal variables for all material models + void initialize_internal_variables(ptrdiff_t num_elements, int num_gauss_points) + { + for (auto *model : models) { + model->initializeInternalVariables(num_elements, num_gauss_points); + } + } + + // Compute reference stiffness for the fundamental solution + void compute_reference_stiffness(const Reader &reader) + { + if (reader.inputJson.contains("reference_material")) { + // Check for optional user-defined reference material + auto ref_mat = reader.inputJson["reference_material"].get>>(); + if (ref_mat.size() != n_str || ref_mat[0].size() != n_str) { + throw std::invalid_argument("reference_material must be " + std::to_string(n_str) + "x" + std::to_string(n_str)); + } + + for (int i = 0; i < n_str; ++i) { + kapparef_mat.row(i) = Eigen::Map(ref_mat[i].data(), n_str); + } + Eigen::LLT> llt(kapparef_mat); + if (llt.info() != Eigen::Success) { + throw std::invalid_argument("reference_material must be symmetric positive definite"); + } + + if (reader.world_rank == 0) { + cout << "# Using user-defined reference material for fundamental solution." << endl; + } + } else { + // Default: simple average of reference stiffness across all material models + kapparef_mat = Matrix::Zero(); + for (auto *model : models) { + kapparef_mat += model->get_reference_stiffness(); + } + kapparef_mat /= static_cast(models.size()); + } + } + + // Update internal variables after converged time step + void update_internal_variables() + { + for (auto *model : models) { + model->updateInternalVariables(); + } + } + + // Set macroscale loading gradient for all models + void set_gradient(vector g0) + { + for (auto *model : models) { + model->setGradient(g0); + } + } + + // Post-processing for all material models + void postprocess(Solver &solver, Reader &reader, int load_idx, int time_idx) + { + for (auto *model : models) { + model->postprocess(solver, reader, load_idx, time_idx); + } + } + + // Get material info for a phase + inline const MaterialInfo &get_info(int phase_id) const + { + return phase_to_info[phase_id]; + } + inline size_t get_num_models() const + { + return models.size(); + } // Get number of unique material models + inline int get_num_phases() const + { + return n_phases; + } // Get number of phases in microstructure + + private: + // Helper function to create a material model from a material group in JSON + Matmodel *create_material_model_from_json( + const json &mat_group, + const Reader &base_reader) + { + // Create a minimal temporary reader + Reader temp_reader; + + // Copy safe members + temp_reader.world_rank = base_reader.world_rank; + temp_reader.world_size = base_reader.world_size; + temp_reader.FE_type = base_reader.FE_type; + temp_reader.strain_type = base_reader.strain_type; + temp_reader.problemType = base_reader.problemType; + temp_reader.method = base_reader.method; + temp_reader.l_e = base_reader.l_e; + temp_reader.dims = base_reader.dims; + + // Override material properties and n_mat for this specific material group + temp_reader.materialProperties = mat_group["material_properties"]; + + // n_mat for this model is the number of phases using it + auto phases = mat_group["phases"].get>(); + temp_reader.n_mat = phases.size(); + + // Override matmodel name for factory function + temp_reader.matmodel = mat_group["matmodel"].get(); + + return createMatmodel(temp_reader); + } +}; + +#endif // MATERIALMANAGER_H diff --git a/include/material_models/CompressibleNeoHookean.h b/include/material_models/CompressibleNeoHookean.h index cf51f97..1fc1e41 100644 --- a/include/material_models/CompressibleNeoHookean.h +++ b/include/material_models/CompressibleNeoHookean.h @@ -30,19 +30,6 @@ class CompressibleNeoHookean : public LargeStrainMechModel { mu[i] = shear_modulus[i]; lambda[i] = bulk_modulus[i] - (2.0 / 3.0) * mu[i]; } - - if (kapparef_mat.isZero()) { - // Compute reference tangent at F=I - kapparef_mat = Matrix::Zero(); - for (int mat_idx = 0; mat_idx < n_mat; ++mat_idx) { - Matrix3d F_identity = Matrix3d::Identity(); - Matrix3d S = compute_S(F_identity, mat_idx, 0); - Matrix C_mandel = compute_material_tangent(F_identity, mat_idx); - Matrix A = compute_spatial_tangent(F_identity, S, C_mandel); - kapparef_mat += A; - } - kapparef_mat /= static_cast(n_mat); - } } Matrix3d compute_S(const Matrix3d &F, int mat_index, ptrdiff_t element_idx) override @@ -104,6 +91,22 @@ class CompressibleNeoHookean : public LargeStrainMechModel { return C_tangent; } + Matrix get_reference_stiffness() const override + { + // Compute reference tangent at F=I + auto *self = const_cast(this); + Matrix kapparef = Matrix::Zero(); + Matrix3d F_identity = Matrix3d::Identity(); + + for (int mat_idx = 0; mat_idx < n_mat; ++mat_idx) { + Matrix3d S = self->compute_S(F_identity, mat_idx, 0); + Matrix C_mandel = self->compute_material_tangent(F_identity, mat_idx); + Matrix A = compute_spatial_tangent(F_identity, S, C_mandel); + kapparef += A; + } + return kapparef / static_cast(n_mat); + } + private: vector lambda; vector mu; diff --git a/include/material_models/GBDiffusion.h b/include/material_models/GBDiffusion.h index 56219df..3d321a8 100644 --- a/include/material_models/GBDiffusion.h +++ b/include/material_models/GBDiffusion.h @@ -95,7 +95,7 @@ class GBDiffusion : public ThermalModel, public LinearModel<1, 3> { throw std::runtime_error("Error in GBDiffusion initialization: " + std::string(e.what())); } - Matrix3d kappa_temp = Matrix3d::Zero(); + kappa_average = Matrix3d::Zero(); Matrix3d phase_kappa; phase_stiffness = new Matrix[n_mat]; @@ -112,14 +112,12 @@ class GBDiffusion : public ThermalModel, public LinearModel<1, 3> { } else { throw std::runtime_error("GBDiffusion: Unknown material index"); } - kappa_temp += phase_kappa; + kappa_average += phase_kappa; for (int p = 0; p < n_gp; ++p) { phase_stiffness[i] += B_int[p].transpose() * phase_kappa * B_int[p] * v_e / n_gp; } } - if (kapparef_mat.isZero()) { - kapparef_mat = kappa_temp / n_mat; - } + kappa_average = kappa_average / n_mat; } ~GBDiffusion() { @@ -128,6 +126,11 @@ class GBDiffusion : public ThermalModel, public LinearModel<1, 3> { phase_stiffness = nullptr; } + Matrix3d get_reference_stiffness() const override + { + return kappa_average; + } + void get_sigma(int i, int mat_index, ptrdiff_t element_idx) override { if (mat_index < num_crystals) { @@ -192,6 +195,7 @@ class GBDiffusion : public ThermalModel, public LinearModel<1, 3> { double *GBnormals = nullptr; Vector3d N; + Matrix3d kappa_average; }; #endif // GBDIFFUSION_H diff --git a/include/material_models/J2Plasticity.h b/include/material_models/J2Plasticity.h index 03c0a41..f0e8d74 100644 --- a/include/material_models/J2Plasticity.h +++ b/include/material_models/J2Plasticity.h @@ -22,15 +22,6 @@ class J2Plasticity : public SmallStrainMechModel { } n_mat = bulk_modulus.size(); - if (kapparef_mat.isZero()) { - const double Kbar = std::accumulate(bulk_modulus.begin(), bulk_modulus.end(), 0.0) / static_cast(n_mat); - const double Gbar = std::accumulate(shear_modulus.begin(), shear_modulus.end(), 0.0) / static_cast(n_mat); - const double lambdabar = Kbar - 2.0 * Gbar / 3.0; - kapparef_mat.setZero(); - kapparef_mat.topLeftCorner(3, 3).setConstant(lambdabar); - kapparef_mat.diagonal().array() += 2.0 * Gbar; - } - // Allocate the member matrices/vectors for performance optimization sqrt_two_over_three = sqrt(2.0 / 3.0); sigma_trial_n1.setZero(); @@ -120,6 +111,18 @@ class J2Plasticity : public SmallStrainMechModel { virtual double compute_q_trial(double psi_val, int mat_index) = 0; virtual double compute_gamma(double f_trial, int mat_index, int i, ptrdiff_t element_idx) = 0; + Matrix get_reference_stiffness() const override + { + const double Kbar = std::accumulate(bulk_modulus.begin(), bulk_modulus.end(), 0.0) / static_cast(n_mat); + const double Gbar = std::accumulate(shear_modulus.begin(), shear_modulus.end(), 0.0) / static_cast(n_mat); + const double lambdabar = Kbar - 2.0 * Gbar / 3.0; + + Matrix kappa_ref = Matrix::Zero(); + kappa_ref.topLeftCorner(3, 3).setConstant(lambdabar); + kappa_ref.diagonal().array() += 2.0 * Gbar; + return kappa_ref; + } + void postprocess(Solver<3, 6> &solver, Reader &reader, int load_idx, int time_idx) override; protected: diff --git a/include/material_models/LinearElastic.h b/include/material_models/LinearElastic.h index 3ad8ca5..f1798e6 100644 --- a/include/material_models/LinearElastic.h +++ b/include/material_models/LinearElastic.h @@ -24,19 +24,6 @@ class LinearElasticIsotropic : public SmallStrainMechModel, public LinearModel<3 lambda[i] = bulk_modulus[i] - (2.0 / 3.0) * mu[i]; } - if (kapparef_mat.isZero()) { - double lambda_ref = (*max_element(lambda.begin(), lambda.end()) + - *min_element(lambda.begin(), lambda.end())) / - 2; - double mu_ref = (*max_element(mu.begin(), mu.end()) + - *min_element(mu.begin(), mu.end())) / - 2; - - kapparef_mat = Matrix::Zero(); - kapparef_mat.topLeftCorner(3, 3).setConstant(lambda_ref); - kapparef_mat += 2 * mu_ref * Matrix::Identity(); - } - phase_stiffness = new Matrix[n_mat]; Matrix phase_kappa; @@ -65,6 +52,22 @@ class LinearElasticIsotropic : public SmallStrainMechModel, public LinearModel<3 sigma(i + 5, 0) = buf2 * eps(i + 5, 0); } + Matrix get_reference_stiffness() const override + { + // Return the reference stiffness computed in constructor + double lambda_ref = (*std::max_element(lambda.begin(), lambda.end()) + + *std::min_element(lambda.begin(), lambda.end())) / + 2; + double mu_ref = (*std::max_element(mu.begin(), mu.end()) + + *std::min_element(mu.begin(), mu.end())) / + 2; + + Matrix kappa_ref = Matrix::Zero(); + kappa_ref.topLeftCorner(3, 3).setConstant(lambda_ref); + kappa_ref += 2 * mu_ref * Matrix::Identity(); + return kappa_ref; + } + private: vector bulk_modulus; vector lambda; @@ -107,7 +110,6 @@ class LinearElasticTriclinic : public SmallStrainMechModel, public LinearModel<3 // Assemble stiffness matrices for each material C_mats.resize(n_mat); - Matrix kappa_temp = Matrix::Zero(); for (size_t i = 0; i < n_mat; ++i) { Matrix C_i = Matrix::Zero(); @@ -124,11 +126,6 @@ class LinearElasticTriclinic : public SmallStrainMechModel, public LinearModel<3 C_i = C_i.selfadjointView(); C_mats[i] = C_i; - kappa_temp += C_i; - } - - if (kapparef_mat.isZero()) { - kapparef_mat = kappa_temp / n_mat; } // Compute phase stiffness matrices @@ -146,6 +143,16 @@ class LinearElasticTriclinic : public SmallStrainMechModel, public LinearModel<3 sigma.segment<6>(i) = C_mats[mat_index] * eps.segment<6>(i); } + Matrix get_reference_stiffness() const override + { + // Simple average of all stiffness matrices + Matrix avg = Matrix::Zero(); + for (const auto &C : C_mats) { + avg += C; + } + return avg / n_mat; + } + private: std::vector, Eigen::aligned_allocator>> C_mats; MatrixXd C_constants; diff --git a/include/material_models/LinearThermal.h b/include/material_models/LinearThermal.h index b7adc89..9a5c9eb 100644 --- a/include/material_models/LinearThermal.h +++ b/include/material_models/LinearThermal.h @@ -16,24 +16,20 @@ class LinearThermalIsotropic : public ThermalModel, public LinearModel<1, 3> { } n_mat = conductivity.size(); - if (kapparef_mat.isZero()) { - double kappa_ref = (*max_element(conductivity.begin(), conductivity.end()) + - *min_element(conductivity.begin(), conductivity.end())) / - 2; - kapparef_mat = kappa_ref * Matrix3d::Identity(); - } - Matrix3d phase_kappa; + kappa_average = Matrix3d::Zero(); phase_stiffness = new Matrix[n_mat]; for (size_t i = 0; i < n_mat; ++i) { phase_stiffness[i] = Matrix::Zero(); phase_kappa = conductivity[i] * Matrix3d::Identity(); + kappa_average += phase_kappa; for (int p = 0; p < n_gp; ++p) { phase_stiffness[i] += B_int[p].transpose() * phase_kappa * B_int[p] * v_e / n_gp; } } + kappa_average /= n_mat; } void get_sigma(int i, int mat_index, ptrdiff_t element_idx) override @@ -43,8 +39,14 @@ class LinearThermalIsotropic : public ThermalModel, public LinearModel<1, 3> { sigma(i + 2, 0) = conductivity[mat_index] * eps(i + 2, 0); } + Matrix3d get_reference_stiffness() const override + { + return kappa_average; + } + private: vector conductivity; + Matrix3d kappa_average; }; class LinearThermalTriclinic : public ThermalModel, public LinearModel<1, 3> { @@ -80,28 +82,23 @@ class LinearThermalTriclinic : public ThermalModel, public LinearModel<1, 3> { // Assemble conductivity matrices for each material K_mats.resize(n_mat); - kapparef_mat = Matrix3d::Zero(); + kappa_average = Matrix3d::Zero(); + phase_stiffness = new Matrix[n_mat]; for (size_t i = 0; i < n_mat; ++i) { Matrix3d K_i; K_i << K_constants(0, i), K_constants(1, i), K_constants(2, i), K_constants(1, i), K_constants(3, i), K_constants(4, i), K_constants(2, i), K_constants(4, i), K_constants(5, i); - K_mats[i] = K_i; - kapparef_mat += K_i; - } - - kapparef_mat /= n_mat; + kappa_average += K_i; - // Compute phase stiffness matrices - phase_stiffness = new Matrix[n_mat]; - for (size_t i = 0; i < n_mat; ++i) { phase_stiffness[i] = Matrix::Zero(); for (int p = 0; p < n_gp; ++p) { phase_stiffness[i] += B_int[p].transpose() * K_mats[i] * B_int[p] * v_e / n_gp; } } + kappa_average /= n_mat; } void get_sigma(int i, int mat_index, ptrdiff_t element_idx) override @@ -109,9 +106,15 @@ class LinearThermalTriclinic : public ThermalModel, public LinearModel<1, 3> { sigma.segment<3>(i) = K_mats[mat_index] * eps.segment<3>(i); } + Matrix3d get_reference_stiffness() const override + { + return kappa_average; + } + private: std::vector> K_mats; MatrixXd K_constants; + Matrix3d kappa_average; }; #endif // LINEARTHERMAL_H diff --git a/include/material_models/PseudoPlastic.h b/include/material_models/PseudoPlastic.h index f259ebd..a7eb3fa 100644 --- a/include/material_models/PseudoPlastic.h +++ b/include/material_models/PseudoPlastic.h @@ -31,15 +31,6 @@ class PseudoPlastic : public SmallStrainMechModel { throw std::runtime_error("Missing material properties for the requested material model."); } n_mat = bulk_modulus.size(); - - if (kapparef_mat.isZero()) { - const double Kbar = std::accumulate(bulk_modulus.begin(), bulk_modulus.end(), 0.0) / static_cast(n_mat); - const double Gbar = std::accumulate(shear_modulus.begin(), shear_modulus.end(), 0.0) / static_cast(n_mat); - const double lambdabar = Kbar - 2.0 * Gbar / 3.0; - kapparef_mat.setZero(); - kapparef_mat.topLeftCorner(3, 3).setConstant(lambdabar); - kapparef_mat.diagonal().array() += 2.0 * Gbar; - } } void initializeInternalVariables(ptrdiff_t num_elements, int num_gauss_points) override @@ -49,6 +40,18 @@ class PseudoPlastic : public SmallStrainMechModel { virtual void get_sigma(int i, int mat_index, ptrdiff_t element_idx) override = 0; // Pure virtual method + Matrix get_reference_stiffness() const override + { + const double Kbar = std::accumulate(bulk_modulus.begin(), bulk_modulus.end(), 0.0) / static_cast(n_mat); + const double Gbar = std::accumulate(shear_modulus.begin(), shear_modulus.end(), 0.0) / static_cast(n_mat); + const double lambdabar = Kbar - 2.0 * Gbar / 3.0; + + Matrix kappa_ref = Matrix::Zero(); + kappa_ref.topLeftCorner(3, 3).setConstant(lambdabar); + kappa_ref.diagonal().array() += 2.0 * Gbar; + return kappa_ref; + } + void postprocess(Solver<3, 6> &solver, Reader &reader, int load_idx, int time_idx) override { VectorXf element_plastic_flag = VectorXf::Zero(solver.local_n0 * solver.n_y * solver.n_z); diff --git a/include/material_models/SaintVenantKirchhoff.h b/include/material_models/SaintVenantKirchhoff.h index fedd9ee..a8fca87 100644 --- a/include/material_models/SaintVenantKirchhoff.h +++ b/include/material_models/SaintVenantKirchhoff.h @@ -28,19 +28,6 @@ class SaintVenantKirchhoff : public LargeStrainMechModel { mu[i] = shear_modulus[i]; lambda[i] = bulk_modulus[i] - (2.0 / 3.0) * mu[i]; } - - if (kapparef_mat.isZero()) { - // Compute reference tangent at F=I - kapparef_mat = Matrix::Zero(); - for (int mat_idx = 0; mat_idx < n_mat; ++mat_idx) { - Matrix3d F_identity = Matrix3d::Identity(); - Matrix3d S = compute_S(F_identity, mat_idx, 0); - Matrix C_mandel = compute_material_tangent(F_identity, mat_idx); - Matrix A = compute_spatial_tangent(F_identity, S, C_mandel); - kapparef_mat += A; - } - kapparef_mat /= static_cast(n_mat); - } } Matrix3d compute_S(const Matrix3d &F, int mat_index, ptrdiff_t element_idx) override @@ -58,6 +45,24 @@ class SaintVenantKirchhoff : public LargeStrainMechModel { return C; } + Matrix get_reference_stiffness() const override + { + // Compute reference tangent at F=I + Matrix kapparef = Matrix::Zero(); + for (int mat_idx = 0; mat_idx < n_mat; ++mat_idx) { + Matrix3d F_identity = Matrix3d::Identity(); + Matrix3d E = 0.5 * (F_identity.transpose() * F_identity - Matrix3d::Identity()); + double trE = E.trace(); + Matrix3d S = lambda[mat_idx] * trE * Matrix3d::Identity() + 2.0 * mu[mat_idx] * E; + Matrix C = Matrix::Zero(); + C.topLeftCorner(3, 3).setConstant(lambda[mat_idx]); + C += 2.0 * mu[mat_idx] * Matrix::Identity(); + Matrix A = compute_spatial_tangent(F_identity, S, C); + kapparef += A; + } + return kapparef / static_cast(n_mat); + } + private: vector lambda; vector mu; diff --git a/include/matmodel.h b/include/matmodel.h index 48cbe4f..62c3213 100644 --- a/include/matmodel.h +++ b/include/matmodel.h @@ -24,7 +24,7 @@ class Matmodel { Matmodel(const Reader &reader); - Matrix Compute_Reference_ElementStiffness(); + Matrix Compute_Reference_ElementStiffness(const Matrix &kapparef_mat); Matrix &element_residual(Matrix &ue, int mat_index, ptrdiff_t element_idx); void getStrainStress(double *strain, double *stress, Matrix &ue, int mat_index, ptrdiff_t element_idx); void setGradient(vector _g0); @@ -34,8 +34,8 @@ class Matmodel { virtual void initializeInternalVariables(ptrdiff_t num_elements, int num_gauss_points) {} virtual void updateInternalVariables() {} - vector macroscale_loading; - Matrix kapparef_mat; // Reference stiffness/conductivity matrix for the fundamental solution + vector macroscale_loading; + virtual Matrix get_reference_stiffness() const = 0; virtual ~Matmodel() = default; @@ -85,29 +85,6 @@ Matmodel::Matmodel(const Reader &reader) eps.resize(n_str * n_gp); g0.resize(n_str * n_gp); sigma.resize(n_str * n_gp); - - kapparef_mat.setZero(); - - // Check for optional user-defined reference material - if (reader.materialProperties.contains("reference_material")) { - auto ref_mat = reader.materialProperties["reference_material"].get>>(); - if (ref_mat.size() != n_str || ref_mat[0].size() != n_str) { - throw std::invalid_argument("reference_material must be " + std::to_string(n_str) + "x" + std::to_string(n_str)); - } - for (int i = 0; i < n_str; ++i) { - for (int j = 0; j < n_str; ++j) { - kapparef_mat(i, j) = ref_mat[i][j]; - } - } - // Verify SPD using Cholesky decomposition - Eigen::LLT> llt(kapparef_mat); - if (llt.info() != Eigen::Success) { - throw std::invalid_argument("reference_material must be symmetric positive definite"); - } - if (reader.world_rank == 0) { - cout << "# Using user-defined reference material for fundamental solution." << endl; - } - } } template @@ -244,7 +221,7 @@ void Matmodel::setGradient(vector _g0) } } template -Matrix Matmodel::Compute_Reference_ElementStiffness() +Matrix Matmodel::Compute_Reference_ElementStiffness(const Matrix &kapparef_mat) { Matrix Reference_ElementStiffness = Matrix::Zero(); Matrix tmp = Matrix::Zero(); diff --git a/include/mixedBCs.h b/include/mixedBCs.h index 56df9a3..fe2ddaf 100644 --- a/include/mixedBCs.h +++ b/include/mixedBCs.h @@ -174,7 +174,7 @@ struct MixedBCController { } vector gvec(g0_vec.data(), g0_vec.data() + g0_vec.size()); - solver.matmodel->setGradient(gvec); + solver.matmanager->set_gradient(gvec); } template @@ -183,9 +183,9 @@ struct MixedBCController { mixed_active = true; mbc_local = mbc_in; step_idx = t; - mbc_local.finalize(solver.matmodel->kapparef_mat); + mbc_local.finalize(solver.matmanager->kapparef_mat); - int n_str = solver.matmodel->num_str; + int n_str = solver.matmanager->get_info(0).model->num_str; // Only initialize on the FIRST step (t=0) if (t == 0) { @@ -219,7 +219,7 @@ struct MixedBCController { } vector gvec(g0_vec.data(), g0_vec.data() + n_str); - solver.matmodel->setGradient(gvec); + solver.matmanager->set_gradient(gvec); // Do one update to adjust stress-controlled components solver.updateMixedBC(); diff --git a/include/reader.h b/include/reader.h index f7a0c34..2773de7 100644 --- a/include/reader.h +++ b/include/reader.h @@ -26,6 +26,7 @@ class Reader { char ms_datasetname[4096]{}; // Absolute path of Micro-structure in hdf5 file char results_prefix[4096]{}; int n_mat; + json inputJson; // Complete input JSON (for MaterialManager) json materialProperties; double TOL; json errorParameters; diff --git a/include/setup.h b/include/setup.h index cdd0df4..7461b9b 100644 --- a/include/setup.h +++ b/include/setup.h @@ -70,13 +70,19 @@ Matmodel<3, 9> *createMatmodel<3, 9>(const Reader &reader) } template -Solver *createSolver(Reader &reader, Matmodel *matmodel) +Solver *createSolver(Reader &reader, MaterialManager *matmanager) { if (reader.method == "fp") { - return new SolverFP(reader, matmodel); + return new SolverFP(reader, matmanager); } else if (reader.method == "cg") { - return new SolverCG(reader, matmodel); + return new SolverCG(reader, matmanager); } else { throw std::invalid_argument(reader.method + " is not a valid method"); } } + +template +MaterialManager *createMaterialManager(const Reader &reader) +{ + return new MaterialManager(reader); +} diff --git a/include/solver.h b/include/solver.h index 0acc015..7195d54 100644 --- a/include/solver.h +++ b/include/solver.h @@ -2,13 +2,16 @@ #define SOLVER_H #include "matmodel.h" +#include "MaterialManager.h" + +class J2Plasticity; typedef Map, Unaligned, OuterStride<>> RealArray; template class Solver : private MixedBCController { public: - Solver(Reader &reader, Matmodel *matmodel); + Solver(Reader &reader, MaterialManager *matmanager); virtual ~Solver(); Reader &reader; @@ -24,9 +27,9 @@ class Solver : private MixedBCController { const ptrdiff_t local_n1; const ptrdiff_t local_1_start; - const int n_it; //!< Max number of FANS iterations - double TOL; //!< Tolerance on relative error norm - Matmodel *matmodel; //!< Material Model + const int n_it; //!< Max number of FANS iterations + double TOL; //!< Tolerance on relative error norm + MaterialManager *matmanager; //!< Material Manager unsigned short *ms; // Micro-structure double *v_r; //!< Residual vector @@ -100,9 +103,9 @@ class Solver : private MixedBCController { }; template -Solver::Solver(Reader &reader, Matmodel *mat) +Solver::Solver(Reader &reader, MaterialManager *matmgr) : reader(reader), - matmodel(mat), + matmanager(matmgr), world_rank(reader.world_rank), world_size(reader.world_size), n_x(reader.dims[0]), @@ -133,7 +136,7 @@ Solver::Solver(Reader &reader, Matmodel *mat) } std::memset(v_u_prev, 0, local_n0 * n_y * n_z * howmany * sizeof(double)); - matmodel->initializeInternalVariables(local_n0 * n_y * n_z, matmodel->n_gp); + matmanager->initialize_internal_variables(local_n0 * n_y * n_z, matmanager->models[0]->n_gp); computeFundamentalSolution(); } @@ -146,7 +149,7 @@ void Solver::computeFundamentalSolution() } clock_t tot_time = clock(); - Matrix Ker0 = matmodel->Compute_Reference_ElementStiffness(); + Matrix Ker0 = matmanager->models[0]->Compute_Reference_ElementStiffness(matmanager->kapparef_mat); complex tpi = 2 * acos(-1) * complex(0, 1); //=2*pi*i @@ -270,8 +273,9 @@ template template void Solver::compute_residual(RealArray &r_matrix, RealArray &u_matrix) { - compute_residual_basic(r_matrix, u_matrix, [&](Matrix &ue, int mat_index, ptrdiff_t element_idx) -> Matrix & { - return matmodel->element_residual(ue, mat_index, element_idx); + compute_residual_basic(r_matrix, u_matrix, [&](Matrix &ue, int phase_id, ptrdiff_t element_idx) -> Matrix & { + const MaterialInfo &info = matmanager->get_info(phase_id); + return info.model->element_residual(ue, info.local_mat_id, element_idx); }); } @@ -292,7 +296,7 @@ void Solver::solve() printf("# Total Time ................... %2.6f sec\n", double(tot_time) / CLOCKS_PER_SEC); printf("# FFT contribution to total time %2.6f %% \n", 100. * double(fft_time) / double(tot_time)); } - matmodel->updateInternalVariables(); + matmanager->update_internal_variables(); } template @@ -465,22 +469,23 @@ void Solver::postprocess(Reader &reader, int load_idx, int time_ v_u + local_n0 * n_y * n_z * howmany, n_y * n_z * howmany, MPI_DOUBLE, (world_rank + 1) % world_size, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE); Matrix ue; - int mat_index; + int phase_id; iterateCubes<0>([&](ptrdiff_t *idx, ptrdiff_t *idxPadding) { for (int i = 0; i < 8; ++i) { for (int j = 0; j < howmany; ++j) { ue(howmany * i + j, 0) = v_u[howmany * idx[i] + j]; } } - mat_index = ms[idx[0]]; + phase_id = ms[idx[0]]; - matmodel->getStrainStress(strain.segment(n_str * idx[0], n_str).data(), stress.segment(n_str * idx[0], n_str).data(), ue, mat_index, idx[0]); + const MaterialInfo &info = matmanager->get_info(phase_id); + info.model->getStrainStress(strain.segment(n_str * idx[0], n_str).data(), stress.segment(n_str * idx[0], n_str).data(), ue, info.local_mat_id, idx[0]); stress_average += stress.segment(n_str * idx[0], n_str); strain_average += strain.segment(n_str * idx[0], n_str); - phase_stress_average[mat_index] += stress.segment(n_str * idx[0], n_str); - phase_strain_average[mat_index] += strain.segment(n_str * idx[0], n_str); - phase_counts[mat_index]++; + phase_stress_average[phase_id] += stress.segment(n_str * idx[0], n_str); + phase_strain_average[phase_id] += strain.segment(n_str * idx[0], n_str); + phase_counts[phase_id]++; }); MPI_Allreduce(MPI_IN_PLACE, stress_average.data(), n_str, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD); @@ -600,7 +605,7 @@ void Solver::postprocess(Reader &reader, int load_idx, int time_ reader.writeSlab("strain", load_idx, time_idx, strain.data(), n_str); reader.writeSlab("stress", load_idx, time_idx, stress.data(), n_str); - matmodel->postprocess(*this, reader, load_idx, time_idx); + matmanager->postprocess(*this, reader, load_idx, time_idx); // Compute homogenized tangent only if requested if (find(reader.resultsToWrite.begin(), reader.resultsToWrite.end(), "homogenized_tangent") != reader.resultsToWrite.end()) { @@ -610,8 +615,8 @@ void Solver::postprocess(Reader &reader, int load_idx, int time_ cout << "# Homogenized tangent: " << endl << setprecision(12) << homogenized_tangent << endl << endl; - reader.writeData("homogenized_tangent", load_idx, time_idx, homogenized_tangent.data(), dims, 2); } + reader.writeData("homogenized_tangent", load_idx, time_idx, homogenized_tangent.data(), dims, 2); } extrapolateDisplacement(); // prepare v_u for next time step } @@ -628,16 +633,17 @@ VectorXd Solver::get_homogenized_stress() v_u + local_n0 * n_y * n_z * howmany, n_y * n_z * howmany, MPI_DOUBLE, (world_rank + 1) % world_size, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE); Matrix ue; - int mat_index; + int phase_id; iterateCubes<0>([&](ptrdiff_t *idx, ptrdiff_t *idxPadding) { for (int i = 0; i < 8; ++i) { for (int j = 0; j < howmany; ++j) { ue(howmany * i + j, 0) = v_u[howmany * idx[i] + j]; } } - mat_index = ms[idx[0]]; + phase_id = ms[idx[0]]; - matmodel->getStrainStress(strain.segment(n_str * idx[0], n_str).data(), stress.segment(n_str * idx[0], n_str).data(), ue, mat_index, idx[0]); + const MaterialInfo &info = matmanager->get_info(phase_id); + info.model->getStrainStress(strain.segment(n_str * idx[0], n_str).data(), stress.segment(n_str * idx[0], n_str).data(), ue, info.local_mat_id, idx[0]); homogenized_stress += stress.segment(n_str * idx[0], n_str); }); @@ -654,12 +660,17 @@ MatrixXd Solver::get_homogenized_tangent(double pert_param) VectorXd unperturbed_stress = get_homogenized_stress(); VectorXd perturbed_stress; vector pert_strain(n_str, 0.0); - vector g0 = this->matmodel->macroscale_loading; - bool islinear = dynamic_cast *>(this->matmodel) != nullptr; + vector g0 = matmanager->get_info(0).model->macroscale_loading; + bool islinear = matmanager->all_linear; this->reader.errorParameters["type"] = "relative"; this->TOL = max(1e-6, this->TOL); + for (auto *model : matmanager->models) { + if (dynamic_cast(model) != nullptr) { + throw std::runtime_error("Homogenized tangent computation not implemented for J2Plasticity models."); + } + } // TODO: a deep copy of the solver object is needed here to avoid modifying the history of the solver object for (int i = 0; i < n_str; i++) { @@ -671,7 +682,7 @@ MatrixXd Solver::get_homogenized_tangent(double pert_param) pert_strain[i] += pert_param; } - matmodel->setGradient(pert_strain); + matmanager->set_gradient(pert_strain); disableMixedBC(); solve(); perturbed_stress = get_homogenized_stress(); diff --git a/include/solverCG.h b/include/solverCG.h index 1147e87..b02a428 100644 --- a/include/solverCG.h +++ b/include/solverCG.h @@ -14,7 +14,7 @@ class SolverCG : public Solver { using Solver::v_u_real; using Solver::v_r_real; - SolverCG(Reader &reader, Matmodel *matmodel); + SolverCG(Reader &reader, MaterialManager *matmanager); virtual ~SolverCG(); double *s; @@ -33,8 +33,8 @@ class SolverCG : public Solver { }; template -SolverCG::SolverCG(Reader &reader, Matmodel *mat) - : Solver(reader, mat), +SolverCG::SolverCG(Reader &reader, MaterialManager *matmgr) + : Solver(reader, matmgr), s(fftw_alloc_real(reader.alloc_local * 2)), s_real(s, n_z * howmany, local_n0 * n_y, OuterStride<>((n_z + 2) * howmany)), @@ -63,8 +63,7 @@ void SolverCG::internalSolve() if (this->world_rank == 0) printf("\n# Start FANS - Conjugate Gradient Solver \n"); - LinearModel *linearModel = dynamic_cast *>(this->matmodel); - bool islinear = (linearModel == NULL) ? false : true; + bool islinear = this->matmanager->all_linear; s_real.setZero(); d_real.setZero(); @@ -95,8 +94,9 @@ void SolverCG::internalSolve() if (islinear && !this->isMixedBCActive()) { Matrix res_e; this->template compute_residual_basic<0>(rnew_real, d_real, - [&](Matrix &ue, int mat_index, ptrdiff_t element_idx) -> Matrix & { - res_e.noalias() = linearModel->phase_stiffness[mat_index] * ue; + [&](Matrix &ue, int phase_id, ptrdiff_t element_idx) -> Matrix & { + const MaterialInfo &info = this->matmanager->get_info(phase_id); + res_e.noalias() = info.linear_model->phase_stiffness[info.local_mat_id] * ue; return res_e; }); diff --git a/include/solverFP.h b/include/solverFP.h index a01adfb..67b99a4 100644 --- a/include/solverFP.h +++ b/include/solverFP.h @@ -14,7 +14,7 @@ class SolverFP : public Solver { using Solver::v_u_real; using Solver::v_r_real; - SolverFP(Reader &reader, Matmodel *matmodel); + SolverFP(Reader &reader, MaterialManager *matmanager); void internalSolve(); @@ -23,8 +23,8 @@ class SolverFP : public Solver { }; template -SolverFP::SolverFP(Reader &reader, Matmodel *matmodel) - : Solver(reader, matmodel) +SolverFP::SolverFP(Reader &reader, MaterialManager *matmanager) + : Solver(reader, matmanager) { this->CreateFFTWPlans(this->v_r, (fftw_complex *) this->v_r, this->v_r); } diff --git a/pixi.lock b/pixi.lock index 45070f6..6112dbf 100644 --- a/pixi.lock +++ b/pixi.lock @@ -3,1435 +3,2947 @@ environments: dashboard: channels: - url: https://conda.anaconda.org/conda-forge/ - indexes: - - https://pypi.org/simple packages: linux-64: - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2 - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_gnu.tar.bz2 - conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/aiobotocore-2.25.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/aiohappyeyeballs-2.6.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/aiohttp-3.13.2-pyh4ca1811_0.conda + - 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libzlib >=1.3.1,<2.0a0 license: BSD-3-Clause license_family: BSD - purls: [] size: 485754 timestamp: 1742433356230 - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.7-h6491c7d_2.conda @@ -9226,6 +17912,5 @@ packages: - libzlib >=1.3.1,<2.0a0 license: BSD-3-Clause license_family: BSD - purls: [] size: 399979 timestamp: 1742433432699 diff --git a/pixi.toml b/pixi.toml index 4e870a7..53fc5fa 100644 --- a/pixi.toml +++ b/pixi.toml @@ -1,7 +1,7 @@ [workspace] channels = ["conda-forge"] name = "FANS" -platforms = ["linux-64", "linux-ppc64le", "linux-aarch64", "osx-arm64", "osx-64"] +platforms = ["linux-64", "linux-aarch64", "osx-arm64", "osx-64"] preview = ["pixi-build"] [dependencies] @@ -9,21 +9,11 @@ fans = { path = "." } [feature.dashboard.dependencies] python = ">=3.14.0,<3.15" -pytest = ">=8.4.2,<9" -pre-commit = ">=4.3.0,<5" -ipykernel = ">=7.0.1,<8" +pytest = ">=9.0.0,<10" +pre-commit = ">=4.4.0,<5" +ipykernel = ">=7.1.0,<8" time = ">=1.9,<2" - -numpy = ">=2.3.4,<3" -h5py = ">=3.15.1,<4" -plotly = ">=6.3.1,<7" -lxml = ">=6.0.2,<7" -scipy = ">=1.16.2,<2" -meshio = ">=5.3.5,<6" -nbformat = ">=5.10.4,<6" - -[feature.dashboard.pypi-dependencies] -MSUtils = {git = "https://github.com/DataAnalyticsEngineering/MSUtils.git"} +MSUtils = ">=0.1.0,<0.2" [feature.dashboard.tasks] pytest = "pytest -v -s" @@ -57,7 +47,7 @@ dev = { features = ["dev"], no-default-feature = true } [package] name = "fans" -version = "0.5.2" +version = "0.6.0" [package.build] backend = { name = "pixi-build-cmake", version = "*" } diff --git a/pyfans/micro.cpp b/pyfans/micro.cpp index f03f9c1..b9f3636 100644 --- a/pyfans/micro.cpp +++ b/pyfans/micro.cpp @@ -33,8 +33,8 @@ MicroSimulation::MicroSimulation(int sim_id, char *input_file) reader.ReadInputFile(input_file); reader.ReadMS(3); - matmodel = createMatmodel<3, 6>(reader); - solver = createSolver<3, 6>(reader, matmodel); + matmanager = createMaterialManager<3, 6>(reader); + solver = createSolver<3, 6>(reader, matmanager); } py::dict MicroSimulation::solve(py::dict macro_data, double dt) @@ -50,7 +50,7 @@ py::dict MicroSimulation::solve(py::dict macro_data, double dt) VectorXd homogenized_stress; - matmodel->setGradient(g0); + matmanager->set_gradient(g0); solver->solve(); diff --git a/pyfans/micro.hpp b/pyfans/micro.hpp index 463d22a..b6ebc6c 100644 --- a/pyfans/micro.hpp +++ b/pyfans/micro.hpp @@ -12,6 +12,7 @@ #include "general.h" #include "matmodel.h" +#include "MaterialManager.h" #include "solver.h" namespace py = pybind11; @@ -25,7 +26,7 @@ class MicroSimulation { int _sim_id; Reader reader; // Hardcoding mechanical models because these definitions need information from the input file. - Matmodel<3, 6> *matmodel; - Solver<3, 6> *solver; - double pert_param = 1e-6; // scalar strain perturbation parameter + MaterialManager<3, 6> *matmanager; + Solver<3, 6> *solver; + double pert_param = 1e-6; // scalar strain perturbation parameter }; diff --git a/src/main.cpp b/src/main.cpp index 3903bc1..6c69bf6 100644 --- a/src/main.cpp +++ b/src/main.cpp @@ -12,8 +12,8 @@ void runSolver(Reader &reader) reader.ReadMS(howmany); for (size_t load_path_idx = 0; load_path_idx < reader.load_cases.size(); ++load_path_idx) { - Matmodel *matmodel = createMatmodel(reader); - Solver *solver = createSolver(reader, matmodel); + MaterialManager *matmanager = createMaterialManager(reader); + Solver *solver = createSolver(reader, matmanager); if (reader.world_rank == 0) { printf("\n╔════════════════════════════════════════════════════════════ Load case %zu/%zu: %zu time steps ════════════════════════════════════════════════════════════╗\n", @@ -30,13 +30,13 @@ void runSolver(Reader &reader) solver->enableMixedBC(reader.load_cases[load_path_idx].mbc, time_step_idx); } else { const auto &g0 = reader.load_cases[load_path_idx].g0_path[time_step_idx]; - matmodel->setGradient(g0); + matmanager->set_gradient(g0); } solver->solve(); solver->postprocess(reader, load_path_idx, time_step_idx); } delete solver; - delete matmodel; + delete matmanager; if (reader.world_rank == 0) { printf("β•šβ•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•β•\n"); } diff --git a/src/reader.cpp b/src/reader.cpp index 918d0bc..288d4af 100644 --- a/src/reader.cpp +++ b/src/reader.cpp @@ -70,6 +70,7 @@ void Reader ::ReadInputFile(char input_fn[]) ifstream i(input_fn); json j; i >> j; + inputJson = j; // Store complete input JSON for MaterialManager microstructure = j["microstructure"]; strcpy(ms_filename, microstructure["filepath"].get().c_str()); @@ -90,7 +91,6 @@ void Reader ::ReadInputFile(char input_fn[]) n_it = j["n_it"].get(); problemType = j["problem_type"].get(); - matmodel = j["matmodel"].get(); method = j["method"].get(); // Parse strain_type (optional, defaults to "small") @@ -113,7 +113,6 @@ void Reader ::ReadInputFile(char input_fn[]) FE_type = "HEX8"; // Default to full integration } - json j_mat = j["material_properties"]; resultsToWrite = j["results"].get>(); // Read the results_to_write field load_cases.clear(); @@ -163,32 +162,6 @@ void Reader ::ReadInputFile(char input_fn[]) printf("# Max iterations: \t %6i\n", n_it); } - for (auto it = j_mat.begin(); it != j_mat.end(); ++it) { - materialProperties[it.key()] = it.value(); - - if (world_rank == 0) { - cout << "# " << it.key() << ":\t "; - if (it.value().is_array()) { - for (const auto &elem : it.value()) { - if (elem.is_number()) { - printf(" %10.5f", elem.get()); - } else if (elem.is_string()) { - cout << " " << elem.get(); - } else { - cout << " " << elem; - } - } - } else if (it.value().is_number()) { - printf(" %10.5f", it.value().get()); - } else if (it.value().is_string()) { - cout << " " << it.value().get(); - } else { - cout << " " << it.value(); - } - printf("\n"); - } - } - } catch (const std::exception &e) { fprintf(stderr, "ERROR trying to read input file '%s' for FANS\n", input_fn); exit(10); diff --git a/test/input_files/test_CompressibleNeoHookean.json b/test/input_files/test_CompressibleNeoHookean.json index 9a02838..180c96b 100644 --- a/test/input_files/test_CompressibleNeoHookean.json +++ b/test/input_files/test_CompressibleNeoHookean.json @@ -6,12 +6,17 @@ }, "problem_type": "mechanical", - "matmodel": "CompressibleNeoHookean", "strain_type": "large", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667] - }, + "materials": [ + { + "phases": [0,1], + "matmodel": "CompressibleNeoHookean", + "material_properties": { + "bulk_modulus": [62.5000, 222.222], + "shear_modulus": [28.8462, 166.6667] + } + } + ], "FE_type": "HEX8", "method": "cg", diff --git a/test/input_files/test_J2Plasticity.json b/test/input_files/test_J2Plasticity.json index 6d1e231..afce476 100644 --- a/test/input_files/test_J2Plasticity.json +++ b/test/input_files/test_J2Plasticity.json @@ -6,20 +6,32 @@ }, "problem_type": "mechanical", - "matmodel": "J2ViscoPlastic_NonLinearIsotropicHardening", "strain_type": "small", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667], - "yield_stress": [0.1, 10000], - "isotropic_hardening_parameter": [0.0, 0.0], - "kinematic_hardening_parameter": [0.0, 0.0], - "viscosity": [1, 1], - "time_step": 0.01, - - "saturation_stress": [0.15, 10000], - "saturation_exponent": [1000, 1000] - }, + "materials": [ + { + "phases": [0], + "matmodel": "J2ViscoPlastic_NonLinearIsotropicHardening", + "material_properties":{ + "bulk_modulus": [62.5000], + "shear_modulus": [28.8462], + "yield_stress": [0.1], + "isotropic_hardening_parameter": [0.0], + "kinematic_hardening_parameter": [0.0], + "viscosity": [1], + "time_step": 0.01, + "saturation_stress": [0.15], + "saturation_exponent": [1000] + } + }, + { + "phases": [1], + "matmodel": "LinearElasticIsotropic", + "material_properties": { + "bulk_modulus": [222.222], + "shear_modulus": [166.6667] + } + } + ], "FE_type": "HEX8", "method": "cg", diff --git a/test/input_files/test_LinearElastic.json b/test/input_files/test_LinearElastic.json index 16a5603..8396e1b 100644 --- a/test/input_files/test_LinearElastic.json +++ b/test/input_files/test_LinearElastic.json @@ -6,12 +6,17 @@ }, "problem_type": "mechanical", - "matmodel": "LinearElasticIsotropic", "strain_type": "small", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667] - }, + "materials": [ + { + "phases": [0,1], + "matmodel": "LinearElasticIsotropic", + "material_properties": { + "bulk_modulus": [62.5000, 222.222], + "shear_modulus": [28.8462, 166.6667] + } + } + ], "FE_type": "HEX8R", "method": "cg", diff --git a/test/input_files/test_LinearThermal.json b/test/input_files/test_LinearThermal.json index df1211b..4070f37 100644 --- a/test/input_files/test_LinearThermal.json +++ b/test/input_files/test_LinearThermal.json @@ -6,11 +6,16 @@ }, "problem_type": "thermal", - "matmodel": "LinearThermalIsotropic", "strain_type": "small", - "material_properties":{ - "conductivity": [1, 10] - }, + "materials": [ + { + "phases": [0,1], + "matmodel": "LinearThermalIsotropic", + "material_properties": { + "conductivity": [1, 10] + } + } + ], "FE_type": "HEX8R", "method": "cg", diff --git a/test/input_files/test_MixedBCs.json b/test/input_files/test_MixedBCs.json index 3205681..5405f93 100644 --- a/test/input_files/test_MixedBCs.json +++ b/test/input_files/test_MixedBCs.json @@ -6,14 +6,27 @@ }, "problem_type": "mechanical", - "matmodel": "PseudoPlasticLinearHardening", "strain_type": "small", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667], - "yield_stress": [0.1, 100000], - "hardening_parameter": [0.0, 0.0] - }, + "materials": [ + { + "phases": [0], + "matmodel": "PseudoPlasticLinearHardening", + "material_properties": { + "bulk_modulus": [62.5000], + "shear_modulus": [28.8462], + "yield_stress": [0.1], + "hardening_parameter": [0.0] + } + }, + { + "phases": [1], + "matmodel": "LinearElasticIsotropic", + "material_properties": { + "bulk_modulus": [222.222], + "shear_modulus": [166.6667] + } + } + ], "FE_type": "HEX8", "method": "cg", diff --git a/test/input_files/test_MixedBCs_LargeStrain.json b/test/input_files/test_MixedBCs_LargeStrain.json index 8815cf9..37a0507 100644 --- a/test/input_files/test_MixedBCs_LargeStrain.json +++ b/test/input_files/test_MixedBCs_LargeStrain.json @@ -6,12 +6,17 @@ }, "problem_type": "mechanical", - "matmodel": "CompressibleNeoHookean", "strain_type": "large", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667] - }, + "materials": [ + { + "phases": [0,1], + "matmodel": "CompressibleNeoHookean", + "material_properties":{ + "bulk_modulus": [62.5000, 222.222], + "shear_modulus": [28.8462, 166.6667] + } + } + ], "FE_type": "HEX8", "method": "cg", diff --git a/test/input_files/test_PseudoPlastic.json b/test/input_files/test_PseudoPlastic.json index c092ab2..08062a9 100644 --- a/test/input_files/test_PseudoPlastic.json +++ b/test/input_files/test_PseudoPlastic.json @@ -6,16 +6,29 @@ }, "problem_type": "mechanical", - "matmodel": "PseudoPlasticNonLinearHardening", "strain_type": "small", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667], - "yield_stress": [0.1, 10000], - "hardening_parameter": [0.0, 0.0], - "hardening_exponent": [0.2, 0.2], - "eps_0": [0.01, 0.01] - }, + "materials": [ + { + "phases": [0], + "matmodel": "PseudoPlasticNonLinearHardening", + "material_properties": { + "bulk_modulus": [62.5000], + "shear_modulus": [28.8462], + "yield_stress": [0.1], + "hardening_parameter": [0.0], + "hardening_exponent": [0.2], + "eps_0": [0.01] + } + }, + { + "phases": [1], + "matmodel": "LinearElasticIsotropic", + "material_properties": { + "bulk_modulus": [222.222], + "shear_modulus": [166.6667] + } + } + ], "FE_type": "BBAR", "method": "cg", diff --git a/test/test_pyfans/input.json b/test/test_pyfans/input.json index 09b5881..5bcf924 100644 --- a/test/test_pyfans/input.json +++ b/test/test_pyfans/input.json @@ -6,11 +6,17 @@ }, "problem_type": "mechanical", - "matmodel": "LinearElasticIsotropic", - "material_properties":{ - "bulk_modulus": [62.5000, 222.222], - "shear_modulus": [28.8462, 166.6667] - }, + "strain_type": "small", + "materials": [ + { + "phases": [0,1], + "matmodel": "LinearElasticIsotropic", + "material_properties": { + "bulk_modulus": [62.5000, 222.222], + "shear_modulus": [28.8462, 166.6667] + } + } + ], "method": "cg", "error_parameters":{