Glass transition in isopentane: a Monte Carlo study

Yashonath, S. ; Rao, K. J. ; Rao, C. N. R. (1985) Glass transition in isopentane: a Monte Carlo study Physical Review B: Condensed Matter and Materials Physics, 31 (5). pp. 3196-3198. ISSN 1098-0121

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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:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:39951
Deposited On:20 May 2011 08:19
Last Modified:17 May 2016 22:13

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