Вид документа : Статья из журнала Шифр издания : 53/B 16 Автор(ы) : Baidakov V. G., Tipeev A. O. Заглавие : Crystal nucleation and the solid–liquid interfacial free energy Место публикации : Journal of Chemical Physics. - 2012. - Vol.136, №7. - С. 074510 ББК : 53 Предметные рубрики: ФИЗИКА Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--crystal nucleation--metastable systems Аннотация: We present the results of molecular dynamics simulation of crystal nucleation in a supercooled Lennard–Jones liquid. Temperature and baric dependences of the nucleation rate, the Zeldovich factor, nucleus size diffusion coefficient, the radius, and the pressure in a critical crystal nucleus are defined in computer simulation. The data obtained have been used in the framework of classical nucleation theory to calculate the effective surface energy of crystal nuclei γe. It is shown that the value of γe at T = const exceeds the value of the interfacial free energy at a flat crystal–liquid interface γ∞ and γe γ∞ at p Доп.точки доступа: Tipeev, A. O.; Байдаков Владимир Георгиевич