Austrian Center of Competence for Tribology, Viktor-Kaplan-Strasse 2, 2700 Wiener Neustadt, Austria.
J Phys Condens Matter. 2011 May 4;23(17):175004. doi: 10.1088/0953-8984/23/17/175004. Epub 2011 Apr 15.
A post-processing method for molecular dynamics (MD) simulations of friction based on the smooth particle approach is proposed, allowing--among other features--the introduction and evaluation of a solid-solid contact area arising due to direct asperity interaction. In order to illustrate the feasibility of this scheme, a large number of MD calculations of lubricated nanotribological systems with various asperity geometries and carefully selected numbers of lubricant molecules were carried out and analysed. In this manner, it is shown that the friction force as a function of load agrees very well with a three-parameter friction law which, in addition to the adhesion- and the load-controlled terms, contains a load-independent offset.
提出了一种基于光滑粒子法的用于摩擦的分子动力学（MD）模拟的后处理方法，该方法允许引入和评估由于直接粗化相互作用而产生的固-固接触面积。为了说明该方案的可行性，对具有各种粗化几何形状和精心选择的润滑剂分子数的润滑纳观摩擦系统进行了大量的 MD 计算和分析。通过这种方式，表明摩擦力与载荷的函数关系非常符合三参数摩擦定律，该定律除了包含粘附和载荷控制项外，还包含一个与载荷无关的偏移量。
