Comparison and Assessment of Different Interatomic Potentials for Simulation of Silicon Carbide

Comparison and Assessment of Different Interatomic Potentials for Simulation of Silicon Carbide

Interatomic potentials play a crucial role in the molecular dynamics (MD) simulation of silicon carbide (SiC). However, the ability of interatomic potentials to accurately describe certain physical properties of SiC has yet to be confirmed, particularly for hexagonal SiC. In this study, the mechanic...

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Bibliographic Details
Main Authors: Jiajie Yu, Xiyue Dai, Jiayuan Li, Anqi Luo, Yifang Ouyang, Yulu Zhou
Format: Article
Language:English
Published: MDPI AG 2023-12-01
Series:Materials
Subjects:
silicon carbide
interatomic potentials
mechanical properties
thermal properties
defects
molecular dynamics simulation
Online Access:https://www.mdpi.com/1996-1944/17/1/150

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