Luo Sheng-Nian, Zheng Lianqing, Strachan Alejandro, Swift Damian C
Physics Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544, USA.
J Chem Phys. 2007 Jan 21;126(3):034505. doi: 10.1063/1.2424715.
We investigate the microscopic melting process of a superheated argon solid using molecular dynamics simulations. We characterize the melting dynamics by following the temperature and time evolutions of liquid atoms and demonstrate the formation of a critical liquid nucleus via fluctuations and subsequent growth. The critical liquid nucleus size (about 120 atoms) obtained from our direct simulations is in accord with the prediction of the classical nucleation theory. The dynamic nucleation and growth of liquid also agree with the Johnson-Mehl-Avrami law, and the growth exponent n approximately 3 at the early stage followed by a substantial increase in n thereafter.
我们使用分子动力学模拟研究过热氩固体的微观熔化过程。我们通过跟踪液态原子的温度和时间演化来表征熔化动力学,并通过涨落和随后的生长证明了临界液态核的形成。从我们的直接模拟中获得的临界液态核尺寸(约120个原子)与经典成核理论的预测一致。液态的动态成核和生长也符合约翰逊-梅hl-阿夫拉米定律,并且在早期生长指数n约为3,此后n大幅增加。