The empirical potential of two-dimensional nanomaterials and their heterostructures

Tan Yawen; Jiang Jinwu

doi:10.6052/1000-0992-19-010

Volume 50 Issue 1

Oct. 2020

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Tan Yawen, Jiang Jinwu. The empirical potential of two-dimensional nanomaterials and their heterostructures[J]. Advances in Mechanics, 2020, 50(1): 202005. doi: 10.6052/1000-0992-19-010

Citation:

Tan Yawen, Jiang Jinwu. The empirical potential of two-dimensional nanomaterials and their heterostructures[J]. Advances in Mechanics, 2020, 50(1): 202005. doi: 10.6052/1000-0992-19-010

Tan Yawen, Jiang Jinwu. The empirical potential of two-dimensional nanomaterials and their heterostructures[J]. Advances in Mechanics, 2020, 50(1): 202005. doi: 10.6052/1000-0992-19-010

Citation:

Tan Yawen, Jiang Jinwu. The empirical potential of two-dimensional nanomaterials and their heterostructures[J]. Advances in Mechanics, 2020, 50(1): 202005. doi: 10.6052/1000-0992-19-010

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The empirical potential of two-dimensional nanomaterials and their heterostructures

doi: 10.6052/1000-0992-19-010

Tan Yawen,
Jiang Jinwu^,

Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai Institute of Applied Mathematics and Mechanics, School of Mechanics and Engineering Science, Shanghai University, Shanghai 200072, China

Funds:

The work is supported by the National Natural Science Foundation of China (NSFC) under Grant No. 11822206, and the Innovation Program of Shanghai Municipal Education Commission under Grant No. 2017-01-07-00-09-E00019.

More Information

Corresponding author: Jiang Jinwu
Received Date: 2019-07-04
Publish Date: 2020-10-08

Abstract

Abstract

The atomic interaction is a fundamental ingredient in the research of two-dimensional (2D) nanomaterials that have been widely investigated for decades. The atomic interaction can be described by empirical models, which are of both high accuracy and efficiency owing to their physics-inspired functional forms. We outline some typical empirical potential models for the 2D material and its heterostructures, including the vertical van der Waals heterostructure and the lateral heterostructure. The present survey shall offer some help in choosing potential models for the simulation of these 2D-material-based systems. We also discuss some prospects and current challenges at the end of the article.
- two-dimensional nanomaterial,
- empirical potential,
- molecular dynamics simulation

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References(111)

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