Abstract

Using the method of classical molecular dynamics the tribological properties are studied of one molecular layer of liquid carbon disulfide, pressed by two atomically smooth diamond surfaces. We treat the models of elastic spheres for carbon disulfide molecules and absolutely rigid diamond plates. The found time series of atomic level friction force at the contact is heterogeneous. An increase of the external normal pressure leads to the transition of the film to a solidlike state. This is manifested in a decrease of the diffusion constant, in the behavior of velocity autocorrelation function of liquid molecules and average friction force.

中文翻译：

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金刚石表面间超薄二硫化碳层的原子摩擦学研究

摘要

使用经典分子动力学的方法研究了一个液态二硫化碳分子层的摩擦学特性，该分子层被两个原子级光滑的金刚石表面挤压。我们处理二硫化碳分子和绝对刚性金刚石板的弹性球模型。发现的接触处原子级摩擦力的时间序列是异质的。外部法向压力的增加导致薄膜转变为类似固体的状态。这表现为扩散常数的降低，液体分子的速度自相关函数和平均摩擦力的行为。