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分子动力学方法及分子动力学和计算流体力学混合的模拟方法是研究纳米通道中流体流动的重要手段。简要分析了纳米通道中流体流动的各种新特性及其出现的原因;针对不同流体模型的建立、不同流动过程的实现、不同模拟方法的使用和相近模拟过程结果的比较四个方面,介绍了应用分子动力学方法或混合方法模拟流体在纳米管道中流动的研究现状;最后从作用势函数、计算简化和模拟软件角度展望了分子动力学模拟技术的发展趋势,并从模拟方法、流体模型、热边界和势函数角度总结了分子动力学方法在模拟纳米通道中流体流动方面的改进趋势。
Molecular dynamics methods and molecular dynamics and computational fluid dynamics hybrid simulation method is to study the important means of fluid flow in the nanochannels. The new characteristics of fluid flow in nanochannels and their causes were briefly analyzed. For different fluid models, the realization of different flow processes, the use of different simulation methods and the comparison of similar simulation results At last, the development trend of molecular dynamics simulation technology is prospected from the view of potential function of function, calculation of simplification and simulation software. The simulation methods, fluid model, Thermal boundary and potential functions summarize the improved tendency of molecular dynamics in simulating fluid flow in nanochannels.