二维纳米材料异质结构的原子间相互作用模型

谭雅文; 江进武

doi:10.6052/1000-0992-19-010

二维纳米材料异质结构的原子间相互作用模型

doi: 10.6052/1000-0992-19-010

谭雅文,
江进武^,

上海大学, 上海市应用数学和力学研究所, 力学与工程科学学院, 上海 200072

详细信息

作者简介:
江进武, 上海大学教授、博士生导师.2013年中组部第五批"青年千人"计划入选者,基金委2018年"优秀青年科学基金"获得者.2003年北京师范大学本科毕业; 2008年中科院理论物理研究所博士毕业;此后在新加坡国立大学和德国包豪斯大学做博士后;2013年底到上海大学力学所(力学与工程科学学院)工作至今.研究方向是固体力学, 长期致力于晶格动力学理论的基础研究.擅长使用晶格动力学理论发展原子间相互作用势能模型,并用于分析负泊松比等力学现象; 通过晶格动力学理论,研究纳米材料的超高热导率、以及高温热障涂层超强隔热性能的力学调控和结构设计.

通讯作者:
江进武

中图分类号: TB383.1
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出版历程
- 收稿日期: 2019-07-04
- 刊出日期: 2020-10-08

The empirical potential of two-dimensional nanomaterials and their heterostructures

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

摘要

摘要: 近些年二维纳米材料得到了大量的研究,其中一个热点研究方向是将不同的二维纳米材料堆垛成纳米异质结构,从而实现多功能的纳米器件.这些二维纳米材料可以从面外和面内两个方向上进行堆垛从而形成两类不同的异质结构.在关于这类二维纳米材料及其异质结构的理论研究中,原子间的相互作用起到类似于连续介质力学中本构关系的作用.因此学者提出了多种方案用于描写原子间相互作用,主要包括第一性原理计算和经验势能模型等.本文主要是对比和分析各种描写二维纳米材料及其异质结构的常见经验势能模型,从而为研究人员选择相互作用模型提供一些参考.
- 二维纳米材料 /
- 异质结构 /
- 相互作用
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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参考文献(111)

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