Universality in the fast orientational relaxation near isotropic-nematic transition

Ravichandran, S. ; Perera, A. ; Moreau, M. ; Bagchi, B. (1998) Universality in the fast orientational relaxation near isotropic-nematic transition Journal of Chemical Physics, 109 (17). pp. 7349-7353. ISSN 0021-9606

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Official URL: http://jcp.aip.org/jcpsa6/v109/i17/p7349_s1

Related URL: http://dx.doi.org/10.1063/1.477340

Abstract

Detailed molecular dynamics simulations of Lennard-Jones ellipsoids have been carried out to investigate the emergence of criticality in the single-particle orientational relaxation near the isotropic-nematic (IN) phase transition. The simulations show a sudden appearance of a power-law behavior in the decay of the second-rank orientational relaxation as the IN transition is approached. The simulated value of the power-law exponent is 0.56, which is larger than the mean-field value (0.5) but less than the observed value (0.63) and may be due to the finite size of the simulated system. The decay of the first-rank orientational time correlation function, on the other hand, is nearly exponential but its decay becomes very slow near the isotropic-nematic transition. The zero-frequency rotational friction, calculated from the simulated angular velocity correlation function, shows a marked increase near the IN transition.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:4292
Deposited On:13 Oct 2010 09:55
Last Modified:10 May 2011 10:13

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