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Structural relaxation in quantum supercooled liquids: A mode-coupling approach

Das, A and Rabani, E and Miyazaki, K and Harbola, U (2021) Structural relaxation in quantum supercooled liquids: A mode-coupling approach. In: Journal of Chemical Physics, 154 (1).

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Official URL: https://dx.doi.org/10.1063/5.0032085


We study supercooled dynamics in a quantum hard-sphere liquid using quantum mode-coupling formulation. In the moderate quantum regime, classical cage effects lead to slower dynamics compared to the strongly quantum regime, where tunneling overcomes classical caging, leading to faster relaxation. As a result, the glass transition critical density can become significantly higher than for the classical liquids. A perturbative approach is used to solve time dependent quantum mode-coupling equations to study in detail the dynamics of the supercooled liquid in the moderate quantum regime. Similar to the classical case, the relaxation time shows the power-law increase with the increase in the density in the supercooled regime. However, the power-law exponent is found to be dependent on the quantumness; it increases linearly as the quantumness is increased in the moderate quantum regime. © 2021 Author(s).

Item Type: Journal Article
Publication: Journal of Chemical Physics
Publisher: American Institute of Physics Inc.
Additional Information: The copyright of this article belongs to American Institute of Physics Inc.
Keywords: Cryogenic liquids; Density of liquids; Dynamics; Glass transition; Quantum theory, Classical liquids; Critical density; Mode-coupling equations; Perturbative approach; Power law exponent; Quantum regimes; Supercooled dynamics; Supercooled liquids, Supercooling
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 02 Feb 2021 11:25
Last Modified: 02 Feb 2021 11:25
URI: http://eprints.iisc.ac.in/id/eprint/67799

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