Bainite Boundaries

Overview

Bainite Boundaries is a materials science project focused on analyzing and modeling boundaries of the bainite composition space.

Installation

To set up the project environment:

1. Clone the repository:

   git clone https://github.com/BerndSchuscha/bainite_boundaries.git

2. Navigate to the project directory:

   cd bainite_boundaries

3. Create and activate a Conda environment:

   conda env create -f environment.yml
   conda activate bainite_boundaries

4. Install the package in the folder:

   pip install .

Usage

Running the Main Calculation

The primary script for calculations is located at:

bainite_boundaries/BC_calculation

The evulation points are in

data/final_samples.txt

Evaluate results

The result is evaluted in the Jupyter notebook:

jupyter notebook bainite_boundaries/visualization/make_final_plot.ipynb

Contact

For questions, suggestions, or collaboration inquiries, please contact Bernd Schuscha.

Authors:

• Sophie Steger
• Bernd Schuscha (bernd.schuscha@mcl.at)