mrgprasad/kanapy - Githubissues

.. highlight:: shell

Kanapy is a python package for generating complex synthetic polycrystalline microstructures. The general implementation is done in Python with the performance critical part for the geometry module implemented in C++. The Python bindings for the code written in C++ are generated using the lightweight header-only library pybind11. The C++ part of the implementation utilizes the Eigen library for efficient linear algebra calculations. The texture module of Kanapy is implemented as MATLAB functions. It also utilizes several algorithms implemented in MTEX_ for texture analysis.

.. _Python: http://www.python.org .. _pybind11: https://pybind11.readthedocs.io/en/stable/ .. _Eigen: http://eigen.tuxfamily.org/index.php?title=Main_Page .. _MATLAB: https://www.mathworks.com/products/matlab.html .. _MTEX: https://mtex-toolbox.github.io/

.. figure:: /docs/figs/Kanapy_graphical_abstract.png :align: center

Features

User interface to kanapy through CLI.
Efficient collision handling of particles through a two-layer collision detection method employing the Octree spatial data structure and the bounding sphere hierarchy.
Efficient ODF reconstruction directly using orientations from experimantal data.
Optimal orientaion assignment based on Measured misorientation distribution.
Independent execution of individual modules through easy data storage and handling.
In-built hexahedral mesh generator for complex polycrystalline microstructures.
Flexibility in the choice of the particle packing time step to be sent for voxelization (meshing).
Option to generate spherical particle position- and radius files that can be read by the Voronoi tessellation software Neper_.
Option to generate input files for the commercial finite-element software Abaqus_.
High-performance for the critical part of the geometry code using Python-C++ bindings.

.. _Neper: http://neper.sourceforge.net/ .. _Abaqus: https://www.3ds.com/products-services/simulia/products/abaqus/

.. role:: bash(code) :language: bash

Installation

The preferred method to install kanapy is through Anaconda or Miniconda Python distributions. If you do not have any, we suggest installing miniconda_.

.. _miniconda: https://docs.conda.io/en/latest/miniconda.html

Once done, create a virtual environment for Kanapy installation and clone the repository to a desired location and install.

.. code-block:: console

$ conda create -y -n knpy python=3.6 pip git
$ conda activate knpy    
(knpy) $ git clone https://github.com/mrgprasad/kanapy.git <location to clone>/kanapy-master
(knpy) $ cd kanapy-master/
(knpy) $ conda install -y -c conda-forge --file requirements.txt    
(knpy) $ pip install -e .

Kanapy is now installed along with all its dependencies. If you intend to use Kanapy's texture module, link Kanapy with MATLAB and MTEX installations by running: :bash:kanapy setupTexture and follow the instructions.

.. _MATLAB: https://www.mathworks.com/products/matlab.html .. _MTEX: https://mtex-toolbox.github.io/

Running tests

Kanapy uses pytest to perform all its unit testing.

.. code-block:: console

(knpy) $ kanapy runTests

Documentation build

Documentation for kanapy is generated using Sphinx. The HTML documentation can be found at ../kanapy-master/docs/builds/html/index.html

.. code-block:: console

(knpy) $ kanapy genDocs

Citation

The preferred way to cite Kanapy is:

.. code-block:: bibtex

@article{Prasad2019, doi = {10.21105/joss.01732}, url = {https://doi.org/10.21105/joss.01732}, year = {2019}, publisher = {The Open Journal}, volume = {4}, number = {43}, pages = {1732}, author = {Mahesh R.G. Prasad and Napat Vajragupta and Alexander Hartmaier}, title = {Kanapy: A Python package for generating complex synthetic polycrystalline microstructures}, journal = {Journal of Open Source Software} }

Related works and applications

Prasad et al., (2019). Kanapy: A Python package for generating complex synthetic polycrystalline microstructures. Journal of Open Source Software, 4(43), 1732. https://doi.org/10.21105/joss.01732
Biswas, Abhishek, R.G. Prasad, Mahesh, Vajragupta, Napat, & Hartmaier, Alexander. (2020, February 11). Kanapy: Synthetic polycrystalline microstructure generator with geometry and texture (Version v2.0.0). Zenodo. http://doi.org/10.5281/zenodo.3662366
Biswas, A., Prasad, M.R.G., Vajragupta, N., ul Hassan, H., Brenne, F., Niendorf, T. and Hartmaier, A. (2019), Influence of Microstructural Features on the Strain Hardening Behavior of Additively Manufactured Metallic Components. Adv. Eng. Mater., 21: 1900275. http://doi.org/10.1002/adem.201900275
Biswas, A., Vajragupta, N., Hielscher, R. & Hartmaier, A. (2020). J. Appl. Cryst. 53, 178-187. https://doi.org/10.1107/S1600576719017138
Biswas, A., Prasad, M.R.G., Vajragupta, N., Kostka, A., Niendorf, T. and Hartmaier, A. (2020), Effect of Grain Statistics on Micromechanical Modeling: The Example of Additively Manufactured Materials Examined by Electron Backscatter Diffraction. Adv. Eng. Mater., 22: 1901416. http://doi.org/10.1002/adem.201901416
R.G. Prasad, M., Biswas, A., Geenen, K., Amin, W., Gao, S., Lian, J., Röttger, A., Vajragupta, N. and Hartmaier, A. (2020), Influence of Pore Characteristics on Anisotropic Mechanical Behavior of Laser Powder Bed Fusion–Manufactured Metal by Micromechanical Modeling. Adv. Eng. Mater., https://doi.org/10.1002/adem.202000641

License

Kanapy is made available under the GNU AGPLv3 license_.

.. _license: https://www.gnu.org/licenses/agpl-3.0.html

About

The name kanapy is derived from the sanskrit word káṇa_ meaning particle. Kanapy is primarily developed at the Interdisciplinary Center for Advanced Materials Simulation (ICAMS), Ruhr-University Bochum - Germany <http://www.icams.de/content/>__. Our goal is to build a complete synthetic microstructure generation tool for research and industry use.

.. _káṇa: https://en.wiktionary.org/wiki/%E0%A4%95%E0%A4%A3