Complexity in the structure and dynamics of a metastable liquid

Kaur, C. ; Das, Shankar P. (2002) Complexity in the structure and dynamics of a metastable liquid Solid State Physics Symposium, 45 . p. 624. ISSN 0081-1947

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Models for the supercooled liquid are considered both from the structural as well as dynamical consideration. The stability of heterogeneous structures characterized by weak mass lacalization is studied using the satandard methods of Density Functional Theory (DFT). Role of "free volume" is also incorporated in the theoretical description of the supercooled state. The dynamics governing the supercooled states that lead to non-exponential relaxation of the time-correlation functions, are also studied. The dynamical heterogeneities are studied in terms of departure of the single particle dynamics from simple Gaussian behavior over intermediate time scales. The single particle velocity auto-correlation function and the mean square displacement associated with the tagged particle dynamics are also computed.

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