Development of the RF-MEAM Interatomic Potential for the Fe-C System to Study the Temperature-Dependent Elastic Properties

Development of the RF-MEAM Interatomic Potential for the Fe-C System to Study the Temperature-Dependent Elastic Properties

One of the major impediments to the computational investigation and design of complex alloys such as steel is the lack of effective and versatile interatomic potentials to perform large-scale calculations. In this study, we developed an RF-MEAM potential for the iron-carbon (Fe-C) system to predict...

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Bibliographic Details
Main Authors: Sandesh Risal, Navdeep Singh, Andrew Ian Duff, Yan Yao, Li Sun, Samprash Risal, Weihang Zhu
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Materials
Subjects:
RF-MEAM
steel
iron-carbon
molecular dynamics
density functional theory
MEAMfit
Online Access:https://www.mdpi.com/1996-1944/16/10/3779

Internet

https://www.mdpi.com/1996-1944/16/10/3779

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