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Crystal Phases of Glass-Forming Mixtures

Published online by Cambridge University Press:  11 February 2011

Julián R. Fernández  and
Peter Harrowell
Julián R. Fernández
Affiliation:
School of Chemistry, University of Sydney, New South Wales, 2006, Australia
Peter Harrowell
Affiliation:
School of Chemistry, University of Sydney, New South Wales, 2006, Australia
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Abstract

We compare the potential energy at zero temperature of a range of crystal structures for a glass-forming binary mixture of Lennard-Jones particles. The lowest energy ordered state consists of coexisting phases of a single component face centered cubic structure and an equimolar cesium chloride structure. An infinite number of layered crystal structures are identified with energies close to this groundstate. We demonstrate that the finite size increase of the energy of the coexisting crystal with incoherent interfaces is sufficient to destabilize this ordered phase in simulations of typical size. Specific local coordination structures are identified as of possible structural significance in the amorphous state. We observe rapid crystal growth in mixtures near the equimolar composition.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 754: Symposium CC – Supercooled Liquids, Glass Transition and Bulk Metallic Glasses , 2002 , CC11.8
Copyright
Copyright © Materials Research Society 2003

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References

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