Characteristic temperatures of glassy behaviour in a simple liquid

Singh, Sunil P. ; Das, Shankar P. (2007) Characteristic temperatures of glassy behaviour in a simple liquid Journal of Physics: Condensed Matter, 19 (24). p. 246107. ISSN 0953-8984

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A model for the metastable liquid in terms of holes present in the amorphous structure is considered using the classical density functional theory (DFT). For a one component Lennard-Jones liquid we obtain the temperature dependence of the free volume vf in the metastable state. A temperature T0, similar to that of the characteristic transition of the free volume theory, is identified by extrapolating vf(T) to zero. The Kauzmann temperature TK is also obtained here by extrapolating the entropy difference between the supercooled state and that of the crystal to zero. We compare the temperatures T0 and TK obtained in our model with other two characteristic temperatures for glassy behaviour, namely (a) the dynamic transition temperature Tc of the mode coupling theory (MCT) and (b) the glass transition temperature Tg which was obtained by Leonardo et al (2000 Phys. Rev. Lett. 84 6054) from studying the violation of the fluctuation-dissipation theorem. All the four temperatures, obtained from independent routes, are located with respect to the melting temperature Tm in a manner which is in agreement with experiments.

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ID Code:93987
Deposited On:30 Jun 2012 12:33
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