Nano-tribology through molecular dynamics simulations  

作　　者：王慧 胡元中 邹鲲 冷永胜 

出　　处：《Science China Mathematics》2001年第8期1049-1055,共7页中国科学：数学（英文版）

基　　金：the National Natural Science Foundation of China (Grant Nos. 59875042, 59735110).

摘　　要：The solidification and interfacial slip in nanometer-scale lubricating films as well as the contact and adhesion of metal crystals have been studied via molecular dynamics simulations. Results show that the critical pressure for the solid-liquid transition declines as the film thickness decreases, in-dicating that the lubricant in the thin films may exist in a solid-like state. It is also found that the interfa-cial slip may occur in thin films at relatively low shear rate, and there is a good correlation between the slip phenomenon and the lubricant solidification. The simulations reveal that a micro-scale adhesion may take place due to the atomic jump during the process of approaching or separating of two smooth crystal surfaces, which provides important information for understanding the origin of interfacial friction.The solidification and interfacial slip in nanometer-scale lubricating films as well as the contact and adhesion of metal crystals have been studied via molecular dynamics simulations. Results show that the critical pressure for the solid-liquid transition declines as the film thickness decreases, indicating that the lubricant in the thin films may exist in a solid-like state. It is also found that the interfacial slip may occur in thin films at relatively low shear rate, and there is a good correlation between the slip phenomenon and the lubricant solidification. The simulations reveal that a micro-scale adhesion may take place due to the atomic jump during the process of approaching or separating of two smooth crystal surfaces, which provides important information for understanding the origin of interfacial friction.

关 键 词：Molecular dynamics simulation NANO-TRIBOLOGY Phase transition in thin films Interfacial sup Micro-scale contact and adhesion 

分 类 号：O488[理学—固体物理]