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Article Dans Une Revue Journal of Chemical Physics Année : 1998

Universality in the fast orientational relaxation near isotropic–nematic transition

S. Ravichandran
  • Fonction : Auteur
A. Perera
M. Moreau
  • Fonction : Auteur
B. Bagchi
  • Fonction : Auteur

Résumé

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.
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Dates et versions

hal-04342874 , version 1 (13-12-2023)

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S. Ravichandran, A. Perera, M. Moreau, B. Bagchi. Universality in the fast orientational relaxation near isotropic–nematic transition. Journal of Chemical Physics, 1998, 109 (17), pp.7349-7353. ⟨10.1063/1.477340⟩. ⟨hal-04342874⟩
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