基于分子动力学的石墨烯摩擦学规律分析.docVIP

- PAGE I - 摘 要 随着现代社会的发展，越来越多的领域需要新兴的二维材料，石墨烯自从问世以来，一直是前沿领域研究的重点。作为一种高性能的减摩剂，石墨烯广泛的应用在各个领域。 本文主要介绍了微观摩擦学基本概念和发展的现状，石墨烯的一些机械性能及摩擦特性研究现状，分子动力学模拟的介绍以及三个不同条件下（石墨烯层数、探针尺寸及滑移方向）实验的模型构建及实现并分析其中反应的石墨烯摩擦学规律，最后通过实验简单分析了石墨烯摩擦学性能对于节能减排的影响。 仿真实验的过程中，在探究石墨烯层数对摩擦性能影响时采用的方法是分别改变基底石墨烯的层数和包裹探针石墨烯的层数，通过不同层数下的受力分析石墨烯摩擦学规律；在探究探针尺寸对摩擦性能影响时采用的方法是改变探针尺寸，不同尺寸的探针对应的摩擦力也不同；在探究探针滑移方向对摩擦性能的影响采用每两次滑移间递增15°，观察摩擦力的变化规律。分别得出了以下三个结论：1、石墨烯所受摩擦随着层数的增加而减小。2、石墨烯所受摩擦随着探针尺寸增大而增大。3、探针沿锯齿型方向滑移所受的摩擦大于沿扶手椅型方向所受的摩擦，即石墨烯的摩擦性能具有各向异性。 关键词： 二维材料，微观摩擦学，石墨烯，分子动力学模拟 - PAGE III - Analysis of friction law of graphene based on molecular dynamics Abstract With the development of modern society, more and more fields need new two-dimensional materials. Graphene has been the focus of research in the frontier field since it came out. As a high performance antifriction agent, graphene is widely used in various fields. This paper mainly introduces the basic concept of micro tribology, some mechanical properties of graphene, the introduction of molecular dynamics simulation, and the model construction and Realization of three experiments under different conditions (graphene layer number, probe size and sliding direction) and analyzes the tribological law of graphene reaction. Finally, the tribological properties of graphene for energy conservation and emission reduction are analyzed through experiments Impact. In the process of simulation experiment, the method to explore the influence of graphene layer number on friction performance is to change the layer number of graphene and the layer number of graphene wrapped probe respectively, and analyze the tribological law of graphene through the stress under different layers; the method to explore the impact of probe size on friction performance is to change the probe size, and the corresponding friction of different size probes In order to study the influence of the sliding direction of the probe on the friction performance, 15° increase between every two slips was used to obse