Abstract

Bond-orientational order in molecular-dynamics simulations of supercooled liquids and in models of metallic glasses is studied. Quadratic and third-order invariants formed from bond spherical harmonics allow quantitative measures of cluster symmetries in these systems. A state with short-range translational order, but extended correlations in the orientations of particle clusters, starts to develop about 10% below the equilibrium melting temperature in a supercooled Lennard-Jones liquid. The order is predominantly icosahedral, although there is also a cubic component which we attribute to the periodic boundary conditions. Results are obtained for liquids cooled in an icosahedral pair potential as well. Only a modest amount of orientational order appears in a relaxed Finney dense-random-packing model. In contrast, we find essentially perfect icosahedral bond correlations in alternative "amorphon" cluster models of glass structure.

Keywords

Icosahedral symmetrySupercoolingMaterials scienceCluster (spacecraft)Molecular dynamicsSpherical harmonicsChemical physicsPeriodic boundary conditionsBond orderCondensed matter physicsThermodynamicsBoundary value problemPhysicsBond lengthCrystallographyMoleculeChemistryQuantum mechanics

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Publication Info

Year
1983
Type
article
Volume
28
Issue
2
Pages
784-805
Citations
3334
Access
Closed

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Cite This

Paul J. Steinhardt, David R. Nelson, Marco Ronchetti (1983). Bond-orientational order in liquids and glasses. Physical review. B, Condensed matter , 28 (2) , 784-805. https://doi.org/10.1103/physrevb.28.784

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DOI
10.1103/physrevb.28.784

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