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Updated: Aug 30, 2026

Synthesis and Exfoliation of Discotic Zirconium Phosphates to Obtain Colloidal Liquid Crystals
Published on: May 25, 2016
Local order of liquid and supercooled zirconium by ab initio molecular dynamics
1Laboratoire de Physique et Modélisation des Milieux Condensés, Maison des Magistères, BP 166 CNRS, 38042 Grenoble-Cedex 09, France.
Abstract:
It has been suggested that icosahedral short-range order (SRO) occurs in deeply undercooled melts of pure metallic elements. We report results of first-principles molecular dynamics simulations for stable and undercooled zirconium liquids. Our results emphasize the occurrence of a local order more complex than the icosahedral one. For stable liquid, the local order is interpreted on the basis of a competition between a polytetrahedral SRO and a bcc-type SRO. We also demonstrate that a bcc-type SRO increases with the degree of undercooling.
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