Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Common microscopic structural origin for water's thermodynamic and dynamic anomalies.

Rui Shi1, John Russo1, Hajime Tanaka1

  • 1Department of Fundamental Engineering, Institute of Industrial Science, University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan.

The Journal of Chemical Physics
|December 17, 2018
PubMed
Summary

This study unifies the understanding of water's anomalies using locally favored structures. A novel hierarchical model explains thermodynamic and dynamic properties, predicting unique behaviors in supercooled water.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Self-assembly: From blueprints to breakthroughs.

The Journal of chemical physics·2026
Same author

Liquid anomalies and fragility of supercooled antimony.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Sampling the liquid-gas critical point with Boltzmann generators.

The Journal of chemical physics·2026
Same author

Collective filament wrapping and nested spiral formation in active polydisperse systems.

Soft matter·2026
Same author

Mysterium vitreum: Revealing the hidden polyhedral order of glass.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Simulating plastic ice VII with the data-driven many-body MB-pol potential.

The Journal of chemical physics·2025

Area of Science:

  • Physical Chemistry
  • Condensed Matter Physics
  • Materials Science

Background:

  • Water exhibits numerous anomalies, properties deviating from typical liquid behavior, with origins debated.
  • Current explanations for thermodynamic and dynamic anomalies often differ, lacking a unified microscopic perspective.

Purpose of the Study:

  • To provide a unified microscopic physical picture of water's anomalies.
  • To explain both thermodynamic and dynamic anomalies using the concept of locally favored structures.
  • To develop and validate a hierarchical model for water's anomalous behavior.

Main Methods:

  • Identification of locally favored structures using a microscopic structural descriptor measuring local translational order.
  • Development of a novel hierarchical two-state model.

Related Experiment Videos

  • Extensive simulations of two popular water models.

    • Main Results:

    • Thermodynamic anomaly strength is directly proportional to the amount of locally favored structures.
    • Dynamic properties depend on local and nearest-neighbor structures.
    • The hierarchical two-state model accurately explains thermodynamic and kinetic anomalies based on temperature and pressure dependence of the structural descriptor.
    • Three unique predictions for supercooled water were made and verified: an Arrhenius-to-Arrhenius crossover, a maximum in dynamic heterogeneity, and a violation of the Stokes-Einstein-Debye relation at ~2Tg.

    Conclusions:

    • Locally favored structures provide a unified explanation for water's thermodynamic and dynamic anomalies.
    • The hierarchical two-state model successfully captures water's complex behavior.
    • The findings suggest that similar scenarios may explain anomalies in other liquids that form locally favored structures, including silicon, germanium, silica, and certain metallic and chalcogenide liquids.