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

Materials Science 2022-07-08 v2
Authors: Sungkwang Mun , Nayeon Lee , Doyl Dickel , Sara Adibi , Bradley Huddleston , Raj Prabhu , Krista Limmer
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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.

Keywords

molecular dynamics simulations crystal structure of iron alloys finite element method

Cite

@article{arxiv.2109.01712,
  title  = {A Modified Embedded Atom Method (MEAM) Interatomic Potential for the Fe-C-H System},
  author = {Sungkwang Mun and Nayeon Lee and Doyl Dickel and Sara Adibi and Bradley Huddleston and Raj Prabhu and Krista Limmer},
  journal= {arXiv preprint arXiv:2109.01712},
  year   = {2022}
}

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R2 v1 2026-06-24T05:40:22.427Z