Configurational entropy and diffusivity of supercooled water

Antonio Scala, Francis W. Starr, Emilia La Nave, Francesco Sciortino and H. Eugene Stanley ()
Additional contact information
Antonio Scala: Center for Polymer Studies, Center for Computational Science
Francis W. Starr: Center for Polymer Studies, Center for Computational Science
Emilia La Nave: Center for Polymer Studies, Center for Computational Science
Francesco Sciortino: Universitá di Roma La Sapienza P.le Aldo Moro 2
H. Eugene Stanley: Center for Polymer Studies, Center for Computational Science

Nature, 2000, vol. 406, issue 6792, 166-169

Abstract: Abstract As a liquid approaches the glass transition, its properties are dominated by local potential minima1,2 in its energy landscape. The liquid experiences localized vibrations in the basins of attraction surrounding the minima, and rearranges via relatively infrequent inter-basin jumps3. As a result, the liquid dynamics at low temperature are related to the system's exploration of its own configuration space. The ‘thermodynamic approach’ to the glass transition considers the reduction in configuration space4,5,6,7,8 explored as the system cools, and predicts that the configurational entropy5,9,10 (a measure of the number of local potential energy minima sampled by the liquid) is related to the diffusion constant. Here we report a stringent test of the thermodynamic approach for liquid water (a convenient system to study because of an anomalous pressure dependence in the diffusion constant). We calculate the configurational entropy at points spanning a large region of the temperature–density plane, using a model11 that reproduces the dynamical anomalies of liquid water. We find that the thermodynamic approach can be used to understand the characteristic dynamic anomalies, and that the diffusive dynamics are governed by the configurational entropy. Our results indicate that the thermodynamic approach might be extended to predict the dynamical behaviour of supercooled liquids in general.

Date: 2000
References: Add references at CitEc
Citations:

Downloads: (external link)
https://www.nature.com/articles/35018034 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:nature:v:406:y:2000:i:6792:d:10.1038_35018034

Ordering information: This journal article can be ordered from
https://www.nature.com/

DOI: 10.1038/35018034

Access Statistics for this article

Nature is currently edited by Magdalena Skipper

More articles in Nature from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().