Physical essence of the multibody contact-sliding at atomic scale
Physical essence of the multibody contact-sliding at atomic scale
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DOI：
10.1051/epjap/2013130475
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发表时间：
2014
影响因子：
1
通讯作者：
Xuesong Han
中科院分区：
文献类型：
--
作者：
Xuesong Han
研究原子离散接触点发生的多体接触滑动对确定纳米材料摩擦学行为的起源、评价纳米材料的微观力学性能以及优化纳米材料表面织构设计具有重要意义。本文在原子尺度上对接触滑动进行了大规模平行分子动力学模拟，揭示了其特殊的物理本质。研究表明，纳米点对之间存在一定的作用力，相互作用可以用指数函数的线性组合来表示，而对于直径几十纳米的纳米点，有效相互作用距离限制在1埃以内。纳米点阵列之间相互作用力的变化趋势在纳米点对之间几乎相同，因此可以用并联机械弹簧来表征两个纳米点阵列之间的相互作用。随着长度尺度的增大，主导原子或分子间相互作用的多体效应逐渐减弱。
Investigation the multibody contact-sliding occurred at atomic discrete contact spot will play an important role in determine the origin of tribology behavior and evaluates the micro-mechanical property of nanomaterials and thus optimizing the design of surface texture. This paper carries out large scale parallel molecular dynamics simulation on contact-sliding at atomic scale to uncover the special physical essence. The research shows that some kind of force field exists between nanodot pair and the interaction can be expressed by the linear combination of exponential function while the effective interaction distance limited in 1 angstrom for nanodot with several tens of nanometer diameter. The variation tendency about the interaction force between nanodot array is almost the same between nanodot pairs and thus the interaction between two nanodot array can be characterized by parallel mechanical spring. Multibody effect which dominates the interaction between atoms or molecules will gradually diminish with the increasing of length scales.