Advances in molecular dynamics simulation of nano-manufacturing of monocrystalline materials
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摘要: 分子动力学模拟技术是纳米加工研究的重要方法之一。本文概述了经典分子动力学模拟的基本原理和方法,并结合分子动力学模拟的发展历程,从单晶材料纳米加工的物相转变、结构及热力学特性、介质的影响以及加工后亚表面变形层特性这5个方面,综述了分子动力学模拟在单晶材料纳米加工研究中的应用,最后分析了单晶材料分子动力学模拟中存在的一些问题及需要关注的方向。Abstract: Molecular dynamics simulation is one of the important methods to study nano-manufacturing, whose fundamental principles and methods are introduced. This paper mainly reviews the principles of monocrystalline nano-machining from five aspects by classical molecular dynamics simulations, namely, phase transformations, mechanical properties, thermodynamics properties, ambient medium effects, and subsurface damage mechanisms. Finally, some problems and future development directions in the molecular dynamics simulation are pointed out.
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Key words:
- monocrystalline /
- nano diamond tools /
- nano-manufacturing /
- molecular dynamics simulation
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