2 papers
physics.comp-ph2026
Machine-learned atomistic simulations reveal the basis of hydrogen-induced crack-plane transition in alpha-Fe
Jiaqin Xu, Zhiqiang Zhao, Kazuma Ito +4
Hydrogen-related fracture in body-centered cubic Fe and ferritic steels often appears as transgranular quasi-cleavage rather than purely intergranular failure, especially at low to…
cond-mat.mtrl-sci2023
Highly efficient and transferable interatomic potentials for α-iron and α-iron/hydrogen binary systems using deep neural networks
Shihao Zhang, Fanshun Meng, Rong Fu +1
Artificial neural network potentials (NNPs) have emerged as effective tools for understanding atomic interactions at the atomic scale in various phenomena. Recently, we developed h…