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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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|
|Additional Information:||Copyright of this article belongs to Elsevier science.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Information Sciences > Supercomputer Education & Research Centre
|Date Deposited:||30 May 2011 06:17|
|Last Modified:||30 May 2011 06:17|
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