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

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cond-mat.mtrl-sci2021★ 1 cited

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

Sungkwang Mun, Nayeon Lee, Doyl Dickel +4

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 sim…