Constrained simulations to count the glasses that a fluid samples

被引:13
作者
Speedy, RJ [1 ]
机构
[1] Victoria Univ Wellington, Sch Chem & Phys Sci, Wellington, New Zealand
关键词
glass transition; hard discs; constrained simulations;
D O I
10.1016/S0022-2860(99)00096-4
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
The glass transition is usually regarded as a kinetic phenomenon. This work shows that it can be treated in a purely thermodynamic way when constraints, rather than lack of time, prevent a liquid from sampling its many glasses. Molecular dynamics simulations of a hard disc mixture show that it can be made glassy, at any density, and that the glass transition is accompanied by a change in compressibility and heat capacity as at the kinetic glass transition. The constraints provide a direct method of counting the number of glasses that a fluid samples. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:537 / 543
页数:7
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