二硫化钼点缺陷对摩擦学性能的影响分析

大学本科生毕业设计(论文)摘 要二硫化钼是常见的润滑油和润滑脂，在恶劣的工作环境中有着性能优越的减摩、抗磨和极压性能。各种材料和机械设备使用二硫化钼做润滑剂后，显著提高了其耐磨寿命。正是由于二硫化钼有着极佳的摩擦性能，二硫化钼摩擦学性能的研究一直是相关领域的研究热点之一。本文简要分析了二硫化钼的发展历程，总结了点缺陷的结构和种类，并用模拟软件构建了单层 MoS2的仿真模型。之后对模型中使用的周期性边界条件和势能函数的使用做了概念辨析和原理分析。详细介绍了建模的具体实现过程，并对点缺陷的结构进行深入探究。最后分子动力学思想利用结合LAMMPS 模拟软件完成了摩擦的仿真实验。本文在仿真实验中详细的描述了实验过程，将实验分成了三个驰豫、压痕和划痕三个步骤。其中利用划痕步骤探究点缺陷对二硫化钼摩擦学性能的影响。得到了不同类型的点缺陷对摩擦性能的影响是不同的，最主要的原因是点缺陷会降低二硫化钼结构的稳定性，加剧二硫化钼的变形，导致其减摩性能就越差。- I -关键词： 二硫化钼，摩擦学性能，点缺陷大学本科生毕业设计(论文)AbstractMolybdenum disulphide is a common lubricating oil and grease, which has excellent anti-friction, anti-wear and extreme pressure properties in harsh working environment.Various materials and mechanical equipment using molybdenum disulfide as lubricant, significantly improve its wear - resistant life.Because of the excellent tribological properties of molybdenum disulfide, the tribological properties of molybdenum disulfide have been one of the research hotspots in the related fields.In this paper, the development course of molybdenum disulfide is briefly analyzed, the structure and types of point defects are summarized, and the simulation model of single-layer MoS2 is constructed with simulation software.Then the periodic boundary conditions used in the model and the use of potential energy function are analyzed.The concrete realization process of modeling is introduced in detail, and the structure of point defect is deeply explored.Finally...