单晶铜纳米切削过程分子动力学建模与仿真-机械制造及其自动化专业论文.docx

万方数据 万方数据 摘 要 随着科学技术的不断进步，微电子、航空、航天等行业对机械加工精 度和表面质量要求越来越高，已经达到了纳米级，因此，研究纳米尺度上 切削加工对于超精密加工技术的进一步发展具有重要意义。 分子动力学从构成物质的基本粒子出发，具有沟通宏观和微观结构的 作用，对许多理论分析和实验观察上难以了解的现象作出了一定的微观解 释。本文借助分子动力学理论，对单晶铜纳米切削过程进行了仿真研究。 本文首先对纳米加工过程分子动力学仿真研究的发展与现状做出较为 全面的综述，研究了分子动力学的基本原理和算法。在此基础上，建立了 单晶铜纳米切削分子动力学模型。 其次，通过 LAMMPS 分子动力学仿真软件，对切削过程进行了模拟， 利用 VMD 可视化技术得到了切削过程中不同时刻的瞬时图像，观察了切削 过程。从晶体晶格变形的角度，分析讨论了纳米尺度下切屑以及加工表面 的形成过程。 在建立的分子动力学仿真模型基础上，分别从不同时刻的瞬时原子图 像，切削过程中能量及切削力的变化等方面研究讨论了切削速度、切削厚 度和刀具几何形状等切削参数对纳米切削过程的影响。 最后，分别采用对势Morse势和多体势EAM势计算工件原子之间的相互 作用，研究了不同势能函数对模拟结果的影响。 关键词 纳米切削；分子动力学；EAM；切削参数；单晶铜 Abstract With the development of modern science and technology, there is an increasing demand for precision machining and surface quality in the fields of micro-electronics, aerospace, semiconductor, etc. At present, the demand of machining precision has reached nanometers magnitude. Therefore, it is important to get an understanding of cutting process in nano-meter scale. The molecular dynamics (MD) which researches the fundamental particle characteristic not only contacts the macro features and micro structures, but gives unique explanations to some special phenomena that are hardly macro theory and experiment. In this paper, MD model is explored to study nanometric cutting process. Firstly, the development and current situation of molecular dynamics simulation are more comprehensive overviewed, basic principles and algorithms are studied. On this basis, the MD model of nanometric cutting is explored. Secondly, LAMMPS is used to simulate nanometric cutting process. Snapshots at different steps are achieved by VMD, the cutting process is observed. From the point of crystal lattice deformation, materials removing and processing of machined surface were discussed. Based on the MD model, the effect of cutting parameters (cutting speed, cutting depth and geometry of tool) on cutting process are studied by analyzing the snapshots and variations of potential energy and cutting force in the cutting process. L