Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions
We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive-step potential. Using free-energy calculations, we have determined the equilibrium phase diagram of this system. At low temperatures, we observe a number of distinct crystal phases. However, under certain conditions the system undergoes a glass transition in a regime where the liquid appears thermodynamically stable. We argue that the appearance of this amorphous low-temperature phase can be understood by viewing this one-component system as a quasibinary mixture.
|Journal||J. Chem. Phys.|
Fomin, Y. D, Gribova, N. V, Ryzhov, V. N, Stishov, S. M, & Frenkel, D. (2008). Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions. J. Chem. Phys., 129(Article number: 64512), 1–6. doi:10.1063/1.2965880