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Glass transition in isopentane: A Monte Carlo study

Phys. Rev. B 31, 3196(R) – Published 1 March 1985
S. Yashonath, K. J. Rao, and C. N. R. Rao

Abstract

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.

DOI: http://dx.doi.org/10.1103/PhysRevB.31.3196

  • Received 22 October 1984
  • Published in the issue dated 1 March 1985

© 1985 The American Physical Society

Authors & Affiliations

S. Yashonath, K. J. Rao, and C. N. R. Rao

  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India

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