分子动力学方法中忽略了电子相互作用,因而具有高效率,可以从原子水平研究大体系的动态过程。随着计算技术的进步,分子动力学逐渐在纳米工程领域显现了巨大的应用前景。本文综述了利用分子动力学方法从微观角度研究摩擦行为的进展,同时也就其进一步的应用做了展望。 Molecular dynamics method ignores the electronic interaction, which has high efficiency, can study the dynamic process of the large system from the atomic level. With the advancement of computational technology, molecular dynamics has shown great promise in the field of nano-engineering. In this paper, we reviewed the progress of frictional behavior using molecular dynamics method from the microscopic point of view, and also prospected its further application.