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Bond-orientational order in liquids and glasses
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.
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Cited by
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Bartók, A. P., Kondor, R., & Csányi, G. (2013) · Physical Review B · doi:10.1103/physrevb.87.184115 · Cited by 2,572
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Baletto, F., & Ferrando, R. (2005) · Reviews of Modern Physics · doi:10.1103/revmodphys.77.371 · Cited by 1,811
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Cheng, Y. Q., & Ma, E. (2011) · Progress in Materials Science · doi:10.1016/j.pmatsci.2010.12.002 · Cited by 1,771
Laio, A., & Gervasio, F. L. (2008) · Reports on Progress in Physics · doi:10.1088/0034-4885/71/12/126601 · Cited by 1,619
Metadata
- Authors
- Steinhardt, P. J., Nelson, D. R., & Ronchetti, M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1983-07-15
- Volume
- 28
- Issue
- 2
- Pages
- 784-805
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2092204065
- Cited by
- 3,475
- References
- 0
- FWCI
- 29.86
- Type
- journal article
- Language
- en
- Open access
- closed
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