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A theoretical framework for calculations of the structural relaxation time on the basis of the free energy landscape theory

Authors :
Takashi Yoshidome
Takashi Odagaki
Akira Yoshimori
Toru Ekimoto
Source :
Chemical Physics Letters. 577:58-61
Publication Year :
2013
Publisher :
Elsevier BV, 2013.

Abstract

On the basis of the free energy landscape theory, we develop a framework to calculate the structural relaxation time in supercooled liquids and glasses. By the framework, the relaxation time is obtained by an escaping time from a basin in a given free energy surface. In order to demonstrate its usefulness, we apply the framework to monodisperse hard-sphere glass systems. Then we show that the relaxation time increases drastically with the density. Additionally, we discuss an explicit picture of the cooperatively rearranging region by analyzing the spatial distribution of an activation free energy of one particle.

Details

ISSN :
00092614
Volume :
577
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........b144c198f164f4bdcfb537b7b8e210f8
Full Text :
https://doi.org/10.1016/j.cplett.2013.05.051