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Thermodynamic and dynamical heterogeneities during glass transition of water

  • Yi Ye
  • , Nanying Ning
  • , Ming Tian
  • , Liqun Zhang
  • , Jianguo Mi
  • Beijing University of Chemical Technology

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Understanding the glass transition of water is still a major scientific challenge. Here we propose a dynamic density functional renormalization group approach to analyze the liquid–liquid phase transitions and diffusion dynamics of water molecules under supercooling condition. We find that, as the temperature approaches the glass transition point, the metastable phase transition displays the confined critical scaling behavior, and the dynamic correlation length actually diverges simultaneously. The predicted glass temperature is 142.5 K, close to the experimental value of 136 K. These results suggest a deep coupling feature of the thermodynamic and dynamical heterogeneities during the glass transition of supercooled water.

Original languageEnglish
Pages (from-to)91-95
Number of pages5
JournalJournal of Molecular Liquids
Volume253
DOIs
StatePublished - Mar 2018
Externally publishedYes

Keywords

  • DDFT
  • Dynamic correlation length
  • Glass transition
  • Renormalization group
  • Thermodynamic heterogeneity

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