Inhomogeneous integral equation approach to pair and triple correlations in a glass-forming simple liquid.
A simple model of glass-forming liquid modeled via Dzugutov's pair potential is studied by means of the triplet hypernetted chain approximation as formulated by Attard [P. Attard, J. Chem. Phys. 93, 7301 (1990)]. This system, which is known to be mostly dominated by microscopic icosahedral ordering, eludes a correct description in terms of classical two-body integral equation theories. However, it is found here that the simple hypernetted chain approximation when applied at the three-particle level can yield a correct semiquantitative description of both the pair and triplet structure of the supercooled state, capturing features which escape more sophisticated closures implemented on the two-particle level.
Lomba
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Instituto de Química Física, Consejo Superior de Investigaciones Cientificas, Madrid, Spain.
Jorge
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Alvarez
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