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Glass-Transition In Isopentane - A Monte-Carlo Study

Yashonath, S and Rao, KJ and Rao, CNR (1985) Glass-Transition In Isopentane - A Monte-Carlo Study. In: Physical Review B, 31 (5). pp. 3196-3198.


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Official URL: http://prola.aps.org/abstract/PRB/v31/i5/p3196_1


Monte Carlo simulations with realistic interaction potentials have been carried out on isopentane to investigate the glass transition. Intermolecular pair-correlation functions of the glass show distinct differences from those of the liquid, the CH-CH pair-correlation function being uniquely different from the other pair-correlation functions. The coordination number of the glass is higher than that of the liquid, and the packing in the glass seems to be mainly governed by the geometrical constraints of the molecule. Annealing affects the properties of the glass significantly.

Item Type: Journal Article
Publication: Physical Review B
Publisher: American Physical Society
Additional Information: Copyright of this article belongs to American Physical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 20 Aug 2009 09:38
Last Modified: 19 Sep 2010 05:40
URI: http://eprints.iisc.ac.in/id/eprint/22119

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