Quantum uncertainty effects in the dynamics of supercooled liquids: A molecular dynamics study

Krishnan, G and Harbola, U (2022) Quantum uncertainty effects in the dynamics of supercooled liquids: A molecular dynamics study. In: Physical Review E, 106 (6).

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Abstract

Dynamics of density fluctuations in quantum supercooled liquids is analyzed using molecular dynamics simulations. In contrast to the classical case, the uncertainty in the particle position (delocalization of quantum particle in space) leads to significant differences in the dynamics of quantum liquids, both in the short- and long-time limits. The effect of uncertainty is found to be significant for length scales smaller than the uncertainty itself, and diminishes as the length scale grows. The dynamic heterogeneity of the system at short times is enhanced due to uncertainty. In the intermediate (β-relaxation) time regime, the heterogeneity tends to get suppressed due to quantum uncertainty. The probability distribution of particle displacements shows highly nonclassical behavior with double-peak structure at short timescales. © 2022 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; Density of liquids; Probability distributions; Quantum theory; Supercooling, Delocalizations; Density fluctuation; Dynamic studies; Dynamics simulation; Length scale; Particle position; Quantum particles; Supercooled liquids; Uncertainty; Uncertainty effects, Molecular dynamics
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	27 Jan 2023 09:45
Last Modified:	27 Jan 2023 09:45
URI:	https://eprints.iisc.ac.in/id/eprint/79563

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