Molecular Dynamics of Fluid-Solid Systems

流固系统的分子动力学

• 批准号: 8912443
• 负责人: Joel Koplik
• 金额: $ 34.77万
• 依托单位: CUNY City College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-09-01 至 1993-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8912443&HistoricalAwards=false
• 关键词: Molecular; Dynamics; Fluid; Solid; Systems

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.

将使用分子动力学计算对涉及固体边界附近粘性流的几个问题进行数值模拟。 将研究各种壁刚度和热性能的影响。 此外，还将模拟润滑层、润湿膜以及粗糙和光滑固体表面上相变边界的运动。 分子动力学方法是近地表现象的半微观模拟，弥合了微观理论和连续理论之间的差距。 将阐明连续介质模型中使用的各种边界条件的合理性。