Frequency-dependent specific heat in quantum supercooled liquids: A mode-coupling study

Das, A and Rabani, E and Miyazaki, K and Harbola, U (2021) Frequency-dependent specific heat in quantum supercooled liquids: A mode-coupling study. In: Journal of Chemical Physics, 154 (16).

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Abstract

Frequency-dependence of specific heat in supercooled hard sphere liquid is computed using quantum mode-coupling theory (QMCT). Mode-coupling equations are solved using a recently proposed perturbative method that allows us to study relaxation in the moderate quantum regime where quantum effects assist liquid to glass transition. Zwanzig�s formulation is used to compute the frequency-dependent specific heat in the supercooled state using dynamical information from QMCT. Specific heat shows strong variation as the quantumness of the liquid is changed, which becomes more significant as density is increased. It is found that, near the transition point, different dynamical modes contribute to specific heat in classical and quantum liquids. © 2021 Author(s).

Item Type:	Journal Article
Publication:	Journal of Chemical Physics
Publisher:	American Institute of Physics Inc.
Additional Information:	The copyright for this article belongs to American Institute of Physics Inc.
Keywords:	Glass transition; Liquids; Quantum theory; Supercooling, Frequency dependence; Frequency dependent; Mode coupling theory; Mode-coupling equations; Perturbative method; Supercooled liquids; Supercooled state; Transition point, Specific heat
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	03 Aug 2021 06:09
Last Modified:	03 Aug 2021 06:09
URI:	http://eprints.iisc.ac.in/id/eprint/68929

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