多层石墨烯杨氏模量的分子动力学研究.docVIP

湘潭大学毕业论文 题 目：关于多层石墨烯杨氏模量的研究 学 院： 材料与光电物理学院 专 业： 物理学 学 号： 2010700123 姓 名： 王春森 指导教师： 张凯旺 完成日期： 2014年5月17日 摘要 本文采用分子动力学（MD）方法，利用圆膜弹性理论，对独立式悬置圆膜石墨烯进行纳米压痕模拟获得石墨烯的杨氏模量，主要研究如下：扰度大小的不同采用分阶段研究的方法研究了层石墨烯的杨氏模量。在扰度情况下，压头对薄膜形变的影响比较小，适用点加载理论，而在扰度情形下，压头的大小对石墨烯形变的影响比较大，应考虑球形压头大小对杨氏模量计算的影响。扰度的数据1、3、5层石墨烯的杨氏模量1.00TPa、1.01TPa、1.03TPa。 2.分析了采用大扰度区间数据进行拟合的原因，提出点加载模型过渡到球加载模型时修正因子有待完善的观点。 3.分析了压头的半径的大小、圆膜尺寸的大小对薄膜杨氏模量计算值的影响1.00TPa左右。 关键词： 多层石墨烯； 杨氏模量；修正因子； Abstract This paper adopts molecular dynamics method (MD) and using circular membrane elastic theory to study the Young’s modulus of free standing circular membrane Multi-graphene. The main contents of this study are as follows: 1.According to the different stages of the deflection, we make studies respectively. In small deflection, the indenter is little effect to the film deformation character, point indenter loading model is suitable for depicting the force loading; In larger deflection, the affection of the film deformation caused by indenter should not be ignored, and loading should be taken as spherical indenter loading model. We using larger deflection data sets and taken spherical indenter loading model, got the simulation number of Youngs modulus values of 1,3,5 layers graphene are 1.00TPa, 1.01TPa, 1.03TPa. 2.We analysis the reason why the dates of large deflection is much better to fitting the graph and we posed that correction factor from point indenter loading model to spherical indenter model could be consummate. 3.Analyzes the impact on the calculate results by the radius of the indenters, the size of the membrane. And we got the impact is tiny. Taking the simulation results and theoretical correction account, we think the Young’s modulus of different layers are the same equal to the bulk graphite modulus 1.00TPa。 Key words: Multi-graphene. Youngs modulus Correction factor 摘要 2 Abstract 2 第1章 引言 4 1.1 石墨烯与石墨烯的杨氏模量 4 1.2 问题的提出与研究方法 5 1.2.1 问题的提出 5 1.2.2