kanapy

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.. highlight:: shell

.. image:: https://joss.theoj.org/papers/10.21105/joss.01732/status.svg :target: https://doi.org/10.21105/joss.01732

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.3662366.svg :target: https://doi.org/10.5281/zenodo.3662366

.. image:: https://img.shields.io/badge/Platform-Linux%2C%20MacOS%2C%20Windows-critical

.. image:: https://img.shields.io/travis/mrgprasad/kanapy.svg :target: https://travis-ci.org/mrgprasad/kanapy

.. image:: https://codecov.io/gh/mrgprasad/kanapy/branch/master/graph/badge.svg :target: https://codecov.io/gh/mrgprasad/kanapy

.. image:: https://img.shields.io/badge/License-GNU%20AGPLv3-blue :target: https://www.gnu.org/licenses/agpl-3.0.html

.. image:: https://img.shields.io/github/v/release/mrgprasad/kanapy

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