中文摘要：

本文采用分子动力学模拟的方法对电场作用下水蒸气在纳米硅固体颗粒上的异质核化过程进行了研究。氩原子作为载气,与水蒸气进行能量交换带走水蒸气核化释放的热量。模拟系综初始温度为450 K,系综达到平衡后,载气温度标定为200 K,同时对系综施加一定强度的电场。研究结果表明,电场作用下的核化团簇沿电场方向被拉伸,增加团簇与水蒸气的接触面积,促进核化。随着电场强度的增加,核化平衡温度增加;根据团簇分析表明水蒸气的核化率随电场强度的增加而线性增加。

英文摘要：

Molecular dynamic simulation was employed to explore the mechanism of heterogeneous nucleation of water vapor on silicon solid particle under electric field.Argon vapor was used as the carrier gas to remove the heat generated during the nucleation process though interacting with water vapor.The initial temperature of system is 450 K,carrier gas temperature is rescaled at 200 K and electric field was applied to the nucleation system after the equilibrium state reached.The results show that the formed nucleation clusters were stretched in the direction of electric field,which can increase the interacting surface with water vapor and promote the nucleation process.The nucleation equilibrium temperature increased with the increasing of electric field strength.The nucleation rate of heterogeneous nucleation obtained from the cluster analysis increased linearly as the electric field increases.