A Modified Embedded Atom Method (MEAM) Interatomic Potential for the Fe-C-H System

2021/09/03 by Mun, Sungkwang, Lee, Nayeon, Dickel, Doyl +4 · 1 citation
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2109.01712

Abstract

We develop an Fe-C-H interatomic potential based on the modified embedded-atom method (MEAM) formalism based on density functional theory to enable large-scale modular dynamics simulations of carbon steel and hydrogen.

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