固壁加热的分子动力学模拟研究

INVESTIGATION OF SOLID WALL HEATING BY MOLECULAR DYNAMIC SIMULATION

本文应用分子动力学模拟方法,讨论了NVE系综中不同初始晶格类型对模拟系统平衡温度和截断半径对模拟系统平衡总能的影响。建立了一种新的固壁加热模型,模拟研究了由铂组成的固壁对流体氩快速加热过程。在本文的模拟条件下,由于固壁与液体之间的快速加热作用,固壁与液体之间产生的蒸汽推动液体向上移动,可以明显地观察到Leidenfrost现象的产生。

The effects of initial different crystal lattice of simulated system on balance temperature and cut-off radius on total balance energy were discussed in NVE ensemble by molecular dynamics simulation. In order to simulate the heating process on the solid wall, a new kind of heating model was established. The heating process between liquid Ar and solid wall composed of metal Pt was simulated to study. Leidenfrost phenomenon can be clearly observed by molecular dynamics simulation during the rapid heating process.