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The empirical relation (D(*))(alpha) = a exp[S] between the self-diffusion coefficient D(*) and the excess entropy S of a liquid is studied here in the context of theoretical model calculation. The coefficient alpha is dependent on the interaction potential and shows a crossover at an intermediate density, where cooperative dynamics become more important.… (More)
We incorporate the role of free volume in the density function of the amorphous structure and study its effects on the stability of such structures. The Density Functional Theory is used to explore this " Free Volume Model " of the supercooled structures. The Free energy minimization is carried out using the void concentration as a variational parameter. A… (More)
The heterogeneous features of the supercooled state over different time regimes are explored in a self-consistent mode-coupling mode. The exponent a for the mean-square displacement <r(2)(t)> approximately t(a), of a tagged particle is computed. The non-Gaussian parameter alpha(2)(t) shows a peak in the short time regime in addition to a second peak over… (More)
A metastable state, characterized by a low degree of mass localization, is identified using density-functional theory (DFT). This free energy minimum, located through the proper evaluation of competing terms in the free energy functional, is independent of the specific form of the DFT used. Computer simulation results on particle motion indicate that this… (More)