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Updated: Aug 8, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Ab initio molecular dynamics simulations of local structure of supercooled Ni
1Laboratoire de Theorie de la Matiere Condensee, Universite de Metz 1, bd FD Arago, 57078 Metz Cedex 3, France.
Abstract:
We report results of first-principles molecular dynamics simulations for stable and undercooled nickel liquids. The calculated structure factors as a function of temperature are discussed with respect to recent experimental measurements. In addition, structural analysis using bonding orientational order and three-dimensional pair analysis techniques have been performed in detail and the effect of undercooling on the microstructure has been analyzed. More particularly, we show the importance of fivefold symmetry local structures.
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