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arXiv · 0711.4490

Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions

Yu. D. Fomin·Daan Frenkel·N. V. Gribova·V. N. Ryzhov·S. M. Stishov
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Abstract

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 pseudo-binary mixture.

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Yu. D. Fomin, Daan Frenkel, N. V. Gribova, V. N. Ryzhov, S. M. Stishov. 2007-11-28. Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions. https://doi.org/10.1063/1.2965880

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