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
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.
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页数:6
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