A Modified Embedded Atom Method (MEAM) Interatomic Potential for the Fe-C-H System
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.
References in corpus (3)
- High-accuracy first-principles determination of the structural, vibrational and thermodynamical properties of diamond, graphite, and derivatives
- Estimation of Young's Modulus of Graphene by Raman Spectroscopy
- Effect of stress-triaxiality on void growth in dynamic fracture of metals: a molecular dynamics study