过冷大液滴碰撞结冰的物理过程复杂，涉及液滴冲击动力学与凝固过程的耦合，其中温度和应力对冰形核和生长的影响引起了广泛的关注。本文采用分子动力学模拟方法，针对不同温度下过冷水结冰问题，建立了均匀形核和非均匀形核模型，研究了自然结冰和冰核结冰过程。首先，分析了结冰比例达到70%后的径向分布函数特征，初步确定当研究对象的径向分布函数与立方冰一致，且在2.7?和4.4?两个峰值处偏差分别小于10%和20%时可判断为结冰现象。然后，计算了不同温度下非均匀形核模型的冰核临界数，在低于250K温度下与经典形核理论给出的立方冰核临界数吻合。在此基础上引入载荷应力研究其对结冰过程的影响。本文结果表明，在应变率为2.4*107s-1的剪切载荷和2*103s-1至2*105s-1的三向挤压载荷作用下，冰的形核和生长受到促进，形核过程主要是由于成核势垒增加引起的阻碍效应与自扩散率增加引起的促进效应之间的竞争，生长过程主要归因于自扩散率增加引起的促进效应。

The physical process of supercooled large droplet impingement freezing is complex, involving the coupling of droplet impact dynamics and solidification process, among which the influence of temperature and stress on ice nucleus for-mation and growth has received widespread attention. In this paper, the molecular dynamics simulation method is employed to establish homogeneous nucleation and heterogeneous nucleation models for the freezing problem of supercooled water at different temperatures, and the natural freezing and ice nucleation freezing processes are stud-ied. Firstly, the radial distribution function characteristics were analyzed after the freezing fraction reached 70%. It is preliminarily determined that when the radial distribution function of the research object is consistent with cubic ice and the deviations at the two peaks at 2.7? and 4.4? are less than 10% and 20% respectively, it can be used as a basis for judging the freezing phenomenon. Then, the critical number of ice nuclei at different temperatures is calcu-lated, which is consistent with the critical number of cubic ice nuclei given by the classical nucleation theory at tem-peratures below 250K. On this basis, load stress is introduced to study its influence on the icing process. The results of this paper show that under the action of shear load with a strain rate of 2.4*107s-1 and triaxial compression load with a strain rate of 2*105s-1 to 2*103s-1, the nucleation and growth of ice are promoted. The nucleation process is mainly due to the competition between the hindering effect caused by the increase of nucleation barrier and the promoting effect caused by the increase of self-diffusion rate, and the growth process is mainly attributed to the promoting effect caused by the increase of self-diffusion rate.