本文从分子水平对纳米氮液滴蒸发的微观过程进行了分子动力学研究,其中液氮分子间采用球形截断的LJ势能函数。从微观模拟信息中获取了相应的宏观性质,示出了液滴在蒸发过程中的分子位形的变化、密度分布、双体分布函数和压力分布,探究了纳米液滴在蒸发过程中界面现象的物理机理。
At the molecular level, the microscopic process of evaporation for a nanometer liquid droplet was investigated and analyzed by molecular dynamics simulation. Lennard-Jones intermolecular potential function was adopted. In the paper, the corresponding macroscopic properties were derived from the microscopic information during the simulation. Furthermore, density profile, radial distribution profile and local pressure distribution were shown. The mechanism of the interface phenomena in the phase transition were explored in detailed.