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Monte Carlo simulation of cooperative orientation relaxation of dipoles in glass formers

Abstract : The glass transition in dipolar glass formers with long-range indirect dipole-dipole interactions has been studied by Monte Carlo simulation. Our simulation shows that the non-Arrhenien behavior of the relaxation time with temperature is induced by a progressive crossover from a regime of fast dynamics at high temperature in the polar liquid to one of slow dynamics controlled by the presence of polar clusters. The interaction between the clusters results in a spectrum of relaxation time and transition to the glass state. The glass transition starts at a temperature T0>Tc, below which spatial heterogeneities appear. These spatial heterogeneities start to influence the dynamical behavior and the spectrum of relaxation time becomes asymmetric. Below Tc, when the polar clusters reach a nanometric size ergodicity breaking occurs.
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https://hal-normandie-univ.archives-ouvertes.fr/hal-02107504
Contributor : Cristelle Pareige <>
Submitted on : Tuesday, April 23, 2019 - 4:40:15 PM
Last modification on : Friday, April 24, 2020 - 10:28:08 AM

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Cristelle Pareige, H. Zapolsky, A. Khachaturyan. Monte Carlo simulation of cooperative orientation relaxation of dipoles in glass formers. Physical Review B: Condensed Matter and Materials Physics, American Physical Society, 2007, 75 (5), pp.104906. ⟨10.1103/PhysRevB.75.054102⟩. ⟨hal-02107504⟩

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