Fa.M.A.F., Universidad Nacional de Córdoba, Córdoba, Argentina.
J Chem Phys. 2011 Jul 21;135(3):034508. doi: 10.1063/1.3613672.
We present a molecular dynamics study of ice growth from supercooled water. By performing a series of simulations with different initial conditions, we have quantitative established the relationship existing between the critical nucleus size and the temperature. The results show that ice embryos containing hundreds or thousands of molecules are needed for the system to crystallize macroscopically, even at high degrees of supercooling. Our findings explain the difficulty in observing spontaneous ice nucleation in atomistic simulations and the relative ease with which water droplets can be supercooled under controlled experiments.
我们呈现了一项关于过冷水结冰的分子动力学研究。通过对不同初始条件的一系列模拟，我们定量建立了临界核大小与温度之间的关系。结果表明，即使在高度过冷的情况下，系统也需要包含数百或数千个分子的冰胚胎才能宏观结晶。我们的发现解释了在原子模拟中观察自发成核的困难，以及在受控实验中水滴可以被过冷的相对容易。
