Вид документа : Шифр издания : 53/B 16 Автор(ы) : Baidakov V. G., Protsenko S.P., Tipeev O. A. Заглавие : Metastable extension of the melting line and the critical endpoint Место публикации : Journal of Non-Crystalline Solids : 9th International Symposium on Crystallization in Glasses and Liquids Location, Foz do Iguacu, BRAZIL, 10-13 sep. , 2009 . - 2009. - Vol.356, №52-54. - С. 2923-2927 ББК : 53 Предметные рубрики: ФИЗИКА Ключевые слова (''Своб.индексиров.''): molecular-dynamics simulation--lennard-jones system--negative pressures Аннотация: Molecular-dynamics methods have been employed to calculate the (p, rho, T)-properties and the internal energy of the Lennard-Jones crystal and liquid phases in both stable and metastable states to the boundaries of limiting supersaturations. Thermal and caloric equations of state have been formulated for determining the parameters of phase equilibrium and approximating the boundaries of essential instability (the spinodal curves). The results of calculations of phase equilibrium parameters from the condition of chemical potentials equality show that the melting line in the region of its metastable extension approaches the spinodal of a stretched liquid. The point of contact (the critical endpoint) is characterized by the following parameter values: T*(m)= 0.5286, p*(m) = -1.7128, rho*(m,l) = 0.7374, rho*(m,c) = 0.9423. The melting line and its metastable extension were also calculated by simulations of two-phase liquid-crystal systems. A comparison of these two approaches has been performed. (C) 2010 Elsevier B.V. All rights reserved Доп.точки доступа: Protsenko, S.P.; Проценко Сергей Павлович; Tipeev, O. A.; Байдаков Владимир Георгиевич