Thermodynamics of coarse-grained models of supercooled liquids

被引:18
|
作者
Chandler, D [1 ]
Garrahan, JP
机构
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
[2] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England
来源
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 04期
基金
英国工程与自然科学研究理事会; 美国国家科学基金会;
关键词
D O I
10.1063/1.1955528
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
In recent papers, we have argued that kinetically constrained coarse-grained models can be applied to understand dynamic properties of glass-forming materials, and we have used this approach in various applications that appear to validate this view. In one such paper [J. P. Garrahan and D. Chandler, Proc. Natl. Acad. Sci. U.S.A. 100, 9710 (2003)], among other things we argued that this approach also explains why the heat-capacity discontinuity at the glass transition is generally larger for fragile materials than for strong materials. In the preceding article, Biroli, Bouchaud, and Tarjus have objected to our explanation on this point, arguing that the class of models we apply is inconsistent with both the absolute size and the temperature dependence of the experimental specific heat. Their argument, however, neglects parameters associated with the coarse graining. Accounting for these parameters, we show here that our treatment of dynamics is not inconsistent with heat-capacity discontinuities. (C) 2005 American Institute of Physics.
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页数:5
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