异质原子对液体气泡成核影响的分子动力学模拟

采用分子动力学方法模拟了池沸腾中液体层加入异质原子对气泡成核的影响.分析了异质原子能量参数对液体起始气泡成核时间和温度的影响及其机理.结果表明，当异质原子能量参数小于液氩能量参数时，液体起始气泡成核时间缩短，起始温度降低.当异质原子剂能量参数大于液氩能量参数时，液体起始气泡成核时间增加，起始温度升高.异质原子在壁面上的吸附及在液体中的扩散行为影响固液界面性质，较大能量参数的异质原子扩散系数较小，更多能量参数较大的原子吸附在固体表面上使得壁面势能壁垒增加，导致沸腾时间延迟，液体需要吸收更多的热量克服势能壁垒，进而提高沸腾起始温度.能量参数较小的异质原子扩散系数较大，异质原子更容易分散到液体中，使得壁面附近液体层势能减小，液体层更容易气泡成核行为.

Molecular dynamics simulation of the effect of heterogeneous atoms on bubble nucleation in liquid

Molecular dynamics method was used to simulate the heat transfer process of heteroatom to liquid boiling.The effect of heteroatom energy parameters near the wall on the rapid boiling process and heat transfer characteristics of liquid were studied.The results show that when the heteroatom energy parameter is smaller than the liquid argon energy parameter, the initial boiling time of liquid decreases and the initial boiling temperature decreases.When the heteroatom energy parameter is larger than the liquid argon energy parameter, the initial boiling time of liquid increases and the initial boiling temperature increases.The reason for this phenomenon is that the adsorption of heteroatom on the wall and its diffusion in the liquid affect the properties of the solid-liquid interface.The diffusion coefficient of heteroatom with larger energy parameters is small, which leads to the adsorption of more atoms with larger energy parameters on the solid surface, which increases the wall potential energy barrier and leads to the delay of boiling time. The liquid needs to absorb more heat to overcome the potential energy barrier, so as to increase the initial boiling temperature.The heteroatom with smaller energy parameters has a larger diffusion coefficient, and the heteroatom is more easily dispersed into the liquid, which reduces the potential energy of the liquid layer near the wall and makes the liquid more prone to boiling behavior.