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


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
07 Jan 2021
Historique:
entrez: 8 1 2021
pubmed: 9 1 2021
medline: 9 1 2021
Statut: ppublish

Résumé

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.

Identifiants

pubmed: 33412873
doi: 10.1063/5.0032085
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

014502

Auteurs

Ankita Das (A)

Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India.

Eran Rabani (E)

Department of Chemistry, University of California, and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 69978, Israel.

Kunimasa Miyazaki (K)

Department of Physics, Nagoya University, Nagoya 464-8602, Japan.

Upendra Harbola (U)

Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India.

Classifications MeSH