2 papers
cond-mat.mtrl-sci2025
Unveiling potential candidates for rare-earth-free permanent magnet and magnetocaloric effect applications: a high throughput screening in Fe-N alloys
Qiang Gao, Ergen Bao, Ijaz Shahid +2
Based on high-throughput density functional theory calculations, we have found 49 ferromag-netic cases in FexN1-x (0<x<1) compounds, focusing especially on permanent magnet and gia…
cond-mat.mtrl-sci2024
The Fe-N system: crystal structure prediction, phase stability, and mechanical properties
Ergen Bao, Jinbin Zhao, Qiang Gao +6
Nitriding introduces nitrides into the surface of steels, significantly enhancing the surface me-chanical properties. By combining the variable composition evolutionary algorithm a…