非平衡态热力学
微流控
材料科学
分子动力学
统计物理学
打滑(空气动力学)
纳米尺度
接口(物质)
关系(数据库)
机械
化学物理
纳米技术
热力学
计算机科学
物理
表面张力
吉布斯等温线
量子力学
数据库
作者
Kai Huang,Izabela Szlufarska
标识
DOI:10.1103/physreve.89.032119
摘要
We have developed a Green-Kubo relation that enables accurate calculations of friction at solid-liquid interfaces directly from equilibrium molecular dynamics (MD) simulations and that provides a pathway to bypass the time-scale limitations of typical nonequilibrium MD simulations. The theory has been validated for a number of different interfaces and it is demonstrated that the liquid-solid slip is an intrinsic property of an interface. Because of the high numerical efficiency of our method, it can be used in the design of interfaces for applications in aqueous environments, such as nano- and microfluidics.
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