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Structure of quantum supercooled liquids

Krishnan, G and Harbola, U (2024) Structure of quantum supercooled liquids. In: Physical Review E, 109 (1).

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Official URL: https://doi.org/10.1103/PhysRevE.109.014115


Supercooled liquids show a drastic slowdown in the dynamics with decreasing temperature, while their structure remains similar to that of normal liquids. In this paper, the structural features in a quantum supercooled liquid are explored in terms of cages defined using the Voronoi polyhedra and characterized in terms of their volumes and geometries. The cage volume fluctuations are sensitive to the quantum effects, and decrease as the glass transition is approached by varying the quantumness. This is in contrast to the classical case where the volumes are insensitive to temperature variations as one approaches the transition. The cage geometry becomes more spherical upon increasing quantumness from zero, pushing the system closer to the glass transition. The cage geometry is found to be significantly correlated with asymmetry in the position uncertainty of the caged particle in the strongly quantum regime. © 2024 American Physical Society.

Item Type: Journal Article
Publication: Physical Review E
Publisher: American Physical Society
Additional Information: The copyright for this article belongs to American Physical Society.
Keywords: Cryogenic liquids; Geometry; Glass; Quantum theory; Supercooling; Temperature, Cage geometry; Position uncertainties; Quantum effects; Quantum regimes; Structural feature; Supercooled liquids; Temperature variation; Volume fluctuations; Voronoi, Glass transition
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 01 Mar 2024 09:03
Last Modified: 01 Mar 2024 09:03
URI: https://eprints.iisc.ac.in/id/eprint/83955

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