2 papers
cond-mat.mtrl-sci2025
Efficient moment tensor machine-learning interatomic potential for accurate description of defects in Ni-Al Alloys
Jiantao Wang, Peitao Liu, Heyu Zhu +5
Combining the efficiency of semi-empirical potentials with the accuracy of quantum mechanical methods, machine-learning interatomic potentials (MLIPs) have significantly advanced a…
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…