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

arxiv（2022）

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摘要

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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关键词

interatomic potential,modified embedded atom method,meam

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