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An AI-driven Microcstructure Optimization Framework

This repository contains the code for AI-driven microstructure optimization framework for elastic properties of titanium beyond cubic crystal systems. The code provides the following functions:

  • An end to end microstructure optimization framework to generate multiple polycrystalline microstructures.

Installation Requirements

The basic requirement for using the files is a Python 3.8.19 environment.

Source Files

Here is a brief description of the file and folder content:

  • Simulator: folder where example data generated using proposed end2end framework.
  • end2end_v2.py: code for the proposed end2end framework which can generated microstructures (represented by ODF vectors).

Running the code

To generate the dataset, run end2end_v2.py file.

Developer Team

The code was developed by Yuwei Mao from the CUCIS group at the Electrical and Computer Engineering Department at Northwestern University.

Publication

  1. Mao, Yuwei, Mahmudul Hasan, Arindam Paul, Vishu Gupta, Kamal Choudhary, Francesca Tavazza, Wei-keng Liao, Alok Choudhary, Pinar Acar, and Ankit Agrawal. "An AI-driven microstructure optimization framework for elastic properties of titanium beyond cubic crystal systems." npj Computational Materials 9, no. 1 (2023): 111. PDF

Disclaimer

The research code shared in this repository is shared without any support or guarantee on its quality. However, please do raise an issue if you find anything wrong and I will try my best to address it.

email: [email protected]

Copyright (C) 2023, Northwestern University.

See COPYRIGHT notice in top-level directory.

Funding Support

This work was supported primarily by National Science Foundation (NSF) CMMI awards 2053929/2053840. Partial support from NIST award 70NANB19H005 and DOE awards DE-SC0019358, DE-SC0021399 is also acknowledged.

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