Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions

被引：98

作者：

Fomin, Yu. D. ^{[1
]}

Gribova, N. V. ^{[1
]}

Ryzhov, V. N. ^{[1
]}

Stishov, S. M. ^{[1
]}

Frenkel, Daan ^{[2
,3
]}

机构：

[1] Russian Acad Sci, Inst High Pressure Phys, Moscow 142190, Russia

[2] FOM, Inst Atom & Mol Phys, NL-1009 DB Amsterdam, Netherlands

[3] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 129卷 / 06期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1063/1.2965880

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页数：6

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