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Structure-potential relationship and nature of disorder in liquids and glassy solids

Yashonatha, Subramanian and Bhasu, Jyothi VC (1992) Structure-potential relationship and nature of disorder in liquids and glassy solids. In: Chemical Physics Letters, 189 (4-5). pp. 311-315.

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Official URL: http://dx.doi.org/10.1016/0009-2614(92)85207-Q


A method based on the minimal-spanning tree is extended to a collection of points in three dimensions. Two parameters, the average edge length and its standard deviation characterize the disorder. The structural phase diagram for a monatomic system of particles and the characteristic values for the uniform random distribution of points have been obtained. The method is applied to hard spheres and Lennard-Jones systems. These systems occupy distinct regions in the structural phase diagram. The structure of the Lennard-Jones system approaches that of the defective close-packed arrangements at low temperatures whereas in the liquid regime, it deviates from the close-packed configuration.

Item Type: Journal Article
Publication: Chemical Physics Letters
Publisher: Elsevier science
Additional Information: Copyright of this article belongs to Elsevier science.
Keywords: Isopentane Glass;Order;Simulation.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Interdisciplinary Sciences > Supercomputer Education & Research Centre
Date Deposited: 30 May 2011 06:17
Last Modified: 30 May 2011 06:17
URI: http://eprints.iisc.ac.in/id/eprint/37717

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