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arXiv · 2109.01712

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

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.

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Sungkwang Mun, Nayeon Lee, Doyl Dickel, Sara Adibi, Bradley Huddleston, Raj Prabhu, Krista Limmer. 2022-07-07. A Modified Embedded Atom Method (MEAM) Interatomic Potential for the Fe-C-H System. https://arxiv.org/abs/2109.01712

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