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.
Fomin
Yu D
YD
Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk 142190, Moscow Region, Russia.
Gribova
N V
NV
Ryzhov
V N
VN
Stishov
S M
SM
Frenkel
Daan
D