Molecular Dynamics of Fluid-Solid Systems

涉及固体边界附近粘性流动的几个问题将 使用分子动力学计算进行数值模拟。 各种壁刚度和热性能的影响将 追究 此外，润滑层，润湿膜， 以及固体表面上相变边界的运动， 无论是粗糙的还是光滑的，都将被模拟。 分子动力学方法是一种半微观模拟 近表面现象的研究，并弥合微观之间的差距 和连续统理论 各种边界的理由 将澄清连续模型中使用的条件。

Several problems involving viscous flow near solid boundaries will be simulated numerically using molecular dynamics calculations. The effect of various wall rigidities and thermal properties will be investigated. In addition, lubricating layers, wetting films, and the motion of phase-change boundaries over a solid surface, both rough and smooth, will be simulated. The molecular dynamics approach is a semi-microscopic simulation of near-surface phenomena, and bridges the gap between microscopic and continuum theories. The justification for various boundary conditions used in continuum models will be clarified.