采用分子动力学模拟方法研究了液氮和水爆发沸腾中均相形核能量转换过程,通过计算系统势能变化分析了热流量和高能分子团尺寸对形核过程能量转换的影响,并分析了水和液氮爆发沸腾形核区别。结果表明,热流量与高能分子团半径的增加都会使系统中的势能转化增加。在模拟后期,水的势能转化趋于平稳,液氮势能转化逐渐升高,这与液氮与水分子之间的相互作用有关。
Molecular dynamics simulation is carried out for the bubble nucleation of water and liquid nitrogen in explosive boiling. The heat transferred into the system and molecular cluster size can affect the energy conversion in the process of bubble nucleation. The bigger size of the molecular cluster and the more heat transferred into the system cause the potential energy to vary in a larger range. The potential energy of liquid water varies around a fixed value, while the potential energy of liquid nitrogen increases at the end of the simulation. This is because the difference of the interactive potential energy between water molecule and nitrogen molecule.