Elsevier

Computers & Chemistry

Volume 20, Issue 2, June 1996, Pages 227-233
Computers & Chemistry

Geometrical analysis of the voids in structural models of molten salts

https://doi.org/10.1016/0097-8485(95)00051-8Get rights and content

Abstract

A new method for analyzing the shapes of the voids in structural models of liquids is described. Each void is approximated by a cluster of elementary cubes the inertial ellipsoid of which provides information about the dimensionality of the void (sphere, disk or rod). A plot of this data vs the volumes of the voids provides a useful insight on the types of voids in such models which may be connected with various melt properties or may be used to check the reliability of the modeling methods. The analysis of some models of molten salts is given as an example.

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