Thermodynamics of supercooled liquids in the inherent-structure formalism: a case study

被引:79
作者
Sciortino, F
Kob, W
Tartaglia, P
机构
[1] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
[2] Univ Roma La Sapienza, Ist Nazl Fis Mat, I-00185 Rome, Italy
[3] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
关键词
D O I
10.1088/0953-8984/12/29/324
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
In this article we review the thermodynamics of liquids in the framework of the inherent-structure formalism. We then present calculations of the distribution of the basins in the potential energy of a binary Lennard-Jones mixture as a function of temperature. The comparison between the numerical data and the theoretical formalism allows us to evaluate the degeneracy of the inherent structures in a hulk system and to estimate the energy of the lowest-energy disordered state (which we define as the Kauzmann energy). We find that, around the mode-coupling temperature, the partition function of the liquid is approximated well by the product of two loosely coupled partition functions, one depending on the inherent-structure quantities (depths of the basins and their degeneracy) and one describing the free energy of the liquid constrained in one typical basin.
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页码:6525 / 6534
页数:10
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