alloy-design

This work customised a novel Fe-Ni-Ti-Al maraging steel assisted by machine learning to leverage the IHT effect for the in-situ formation of massive precipitates during LAM without PHT.

[OPEN Alloy] The official implement of ATON for high entropy alloy discovery

Thermodynamic modeling and DFT validation of maraging steel phase boundaries using PyCalphad and Quantum Espresso.

Building ML models to predict the super alloys

Interpretable machine learning framework for designing hydrogen-embrittlement-resistant aluminum alloys: XGBoost severity classifier, SHAP interpretation, and scenario-vector inverse design over 1M+ candidate compositions. Code for the accompanying Digital Discovery paper.

Alloy-design workbench for metallurgists