Work

Inherent Structure Entropy of Supercooled Liquids

Year: 1999

Type: article

Abstract: We present a quantitative description of the thermodynamics in a supercooled binary Lennard-Jones liquid via the evaluation of the degeneracy of the inherent structures, i.e., of the number of potential energy basins in configuration space. We find that the contribution of the inherent structures to the free energy of the liquid almost completely decouples from the vibrational contribution. An important by-product of the presented analysis is the determination of the Kauzmann temperature for the studied system.

Source: Physical Review Letters

DOI: 10.1103/physrevlett.83.3214

Authors: F. Sciortino, W. Kob, P. Tartaglia

Institutions: Istituto Nazionale per la Fisica della Materia, Sapienza University of Rome, Johannes Gutenberg University Mainz

Language: English

Topic: Material Dynamics and Properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funder: Deutsche Forschungsgemeinschaft

Award: G5976153251