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Crystal to Glass Transition and Melting in TwoDimensions

Published online by Cambridge University Press:  15 February 2011

M. Li ,
W. L. Johnson  and
W. A. Goddard III
M. Li
Affiliation:
A. M. Keck Laboratory, 138–78, California Institute of Technology, Pasadena, California 91125 Molecular & Materials Simulation Center, Beekman Institute, 139–74, California Institute of Technology, Pasadena, California 91125
W. L. Johnson
Affiliation:
A. M. Keck Laboratory, 138–78, California Institute of Technology, Pasadena, California 91125
W. A. Goddard III
Affiliation:
Molecular & Materials Simulation Center, Beekman Institute, 139–74, California Institute of Technology, Pasadena, California 91125
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Abstract

Thermodynamic properties, structures, defects and their configurations of atwo-dimensional Lennard-Jones (LJ) system are investigated close to crystalto glass transition (CGT) via molecular dynamics simulations. The CGT isachieved by saturating the LJ binary arrays below glass transitiontemperature with one type of the atoms which has different atomic size fromthat of the host atoms. It was found that for a given atomic size differencelarger than a critical value, the CGT proceeds with increasing soluteconcentrations in three stages, each of which is characterized by distinctbehaviors of translational and bond-orientational order correlationfunctions. An intermediate phase which has a quasi-long range orientationalorder but short range translational order has been found to exist prior tothe formation of the amorphous phase. The destabilization of crystallinityis observed to be directly related to defects. We examine these results inthe context of two dimensional (2D) melting theory. Finite size effects onthese results, in particular on the intermediate phase formation, arediscussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 321: Symposium E – Crystallization and Related Phenomena in Amorphous Materials—Ceramics, Metals, Polymers, and Semiconductors , 1993 , 173
Copyright
Copyright © Materials Research Society 1994

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References

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