Icosahedral Ordering in the Lennard-Jones Liquid and Glass

Hannes Jónsson and Hans C. Andersen
Phys. Rev. Lett. 60, 2295 – Published 30 May 1988
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Abstract

We have simulated the cooling of Lennard-Jones fluids from liquid temperatures to below the glass transition by using molecular-dynamics calculations and periodic boundary conditions. At higher temperatures the "inherent" structure is independent of temperature, but slightly above the glass transition temperature Tg the structure changes and local fivefold symmetry becomes more prominent. At Tg this process is slow and a hysteresis is observed on heating. The low-temperature two-component glass has a cluster of interpenetrating and face-sharing icosahedra percolating throughout the sample.

  • Received 5 November 1987

DOI:https://doi.org/10.1103/PhysRevLett.60.2295

©1988 American Physical Society

Authors & Affiliations

Hannes Jónsson and Hans C. Andersen

  • Department of Chemistry, Stanford University, Stanford, California 94305

Comments & Replies

Comment on "Icosahedral Ordering in the Lennard-Jones Liquid and Glass"

David R. Nelson and Paul J. Steinhardt
Phys. Rev. Lett. 62, 978 (1989)

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Vol. 60, Iss. 22 — 30 May 1988

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