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Potential-tuning molecular dynamics studies of fusion, and the question of ideal glassformers: (I) The Gay-Berne model.
 

Summary: 1
Potential-tuning molecular dynamics studies of fusion, and the question of ideal
glassformers: (I) The Gay-Berne model.
Vitaliy Kapko, Dmitry V. Matyushov and C. Austen Angell,
Department of Chemistry and Biochemistry,
Arizona State University, Tempe, AZ85287-1604.
Abstract
The ability of some liquids to vitrify during supercooling is usually seen as a
consequence of the rates of crystal nucleation (and/or crystal growth) becoming
small1
- thus a matter of kinetics. However there is evidence, dating back to the
empirics of coal briquetting for maximum trucking efficiency2
that some object
shapes find little advantage in self-assembly to ordered structures - meaning
random packings prevail. Noting that key studies of non-spherical object packing
have never been followed from hard ellipsoids3,4
or spherocylinders5
(diatomics
excepted6
) into the world of molecules with attractive forces, we have made a

  

Source: Angell, C. Austen - Department of Chemistry and Biochemistry, Arizona State University

 

Collections: Materials Science; Chemistry