通过对比经典形核理论与二步形核理论,结合第一性原理计算,引出经典形核理论的不足之处.二步形核理论认为,液相析出固态结构的过程经历了一个由液相内部局部波动(结构或浓度)而引发的簇状结构的生成,此类簇状结构一部分在随后的碰撞中分解消失,一部分相互连接而长大,而基于我们当前对形核的认识,实际形核是一个极其复杂的多步过程.
Combined with the first principle calculation, the authors compared the classical nucleation theory with the two step nucleation theory.It was found that the classical nucleation theory have some deficiencies.The two step nucleation theory believed that the process of the solid structure formation from liquid phase went through a local fluctuations (structure or concentration) in internal liquid phase to generate a cluster structure.A part of the cluster structure disappeared in the subsequent collision, while the other part will grow up through connection with each other.Based on the authors' understanding, the actual nucleation is a complex multistep process.
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