Nano-Tribological Analysis by Molecular Dynamics Simulation—A Review
Nano-Tribological Analysis by Molecular Dynamics Simulation—A Review
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DOI：
10.1166/jctn.2006.2999
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发表时间：
2006-04
影响因子：
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通讯作者：
Liangchi Zhang;K. Mylvaganam
中科院分区：
文献类型：
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作者：
Liangchi Zhang;K. Mylvaganam
用于大规模原子模拟的超级计算机的出现以及原子力显微镜、摩擦力显微镜、表面力仪、nanoScratcher等近端测试设备的发明，导致了微纳米摩擦学的发展。本文综述了纳米摩擦学分子动力学模拟的基本概念和步骤，以及摩擦磨损机理、微凸体接触尺寸对摩擦的尺度效应、原子尺度上的二体和三体接触滑动变形等重要方面，重点介绍了作者在铜和硅材料上的研究工作。对金刚石-铜滑动的研究表明，存在四种不同的变形区域，采用较低的滑动速度、较小的尖端半径和较好的润滑可以实现无磨损变形。在所有状态下，摩擦力的变化都是接触面积的函数，但在传统摩擦定律仍然成立的切削状态下除外。对金刚石-硅滑动的研究表明，非晶相变是硅的主要变形。在两体接触滑动中，硅的变形福尔斯无磨损、粘着、犁削和切削区，而在三体接触滑动中，硅的变形福尔斯无磨损、凝聚、粘着、犁削和无损伤磨损区。
The advent of super computers for large scale atomic simulations and the invention of proximal testing devices such as atomic force microscope, friction force microscope, surface force apparatus, nanoScratcher etc., have led to the development of micro- and nano-tribology. This paper reviews some fundamental concepts and steps involved in molecular dynamics modeling of nanotribology together with some significant aspects such as the mechanisms of wear and friction, the scale effect of asperity contact size on friction, and the deformation induced by two-body and three-body contact sliding on the atomic scale with a focus on the authors' work on copper and silicon. Studies on diamond-copper sliding reveal that there exist four distinct regimes of deformation, and that no-wear deformation can be achieved by using a lower sliding speed, a smaller tip radius and a better lubrication. The variation of the frictional force is a function of contact area in all regimes except that in the cutting regime where the conventional friction law still holds. Investigations into the diamond-silicon sliding show that the amorphous phase transformation is the main deformation in silicon. In a two-body contact sliding, the deformation of silicon falls into no-wear, adhering, ploughing, and cutting regimes while in a three-body sliding it falls into no-wear, condensing, adhering, ploughing and no-damage wear regimes.