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Phys. Rev. B 63, 184301 (2001) [5 pages]

Connection between vibrational dynamics and topological order in simple glasses

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S. I. Simdyankin and M. Dzugutov
Department of Numerical Analysis and Computer Science, Royal Institute of Technology, SE-100 44 Stockholm, Sweden

S. N. Taraskin and S. R. Elliott
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Received 28 November 2000; published 18 April 2001

We compare vibrational dynamics in two structurally distinct, simple monatomic model glasses simulated by molecular dynamics: the Lennard-Jones glass with an fcc-related structure and a glass with predominantly icosahedral short-range order. The former, characterized by a single local quasiperiodicity, supports only modes with acoustic behavior. In the latter, the presence of optic modes and two incommensurate length scales is observed. This pattern of vibrational dynamics is shown to be closely related to that of a Frank-Kasper crystal having the same local topological order.

© 2001 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.63.184301
DOI:
10.1103/PhysRevB.63.184301
PACS:
63.50.+x, 61.43.Bn, 81.05.Kf