Decoupling of viscosity and relaxation processes in supercooled water: a molecular dynamics study with the TIP4P/2005f model-Reference-Cited by-同舟云学术

Decoupling of viscosity and relaxation processes in supercooled water: a molecular dynamics study with the TIP4P/2005f model

Published:2017 Issue:3 Volume:19 Page:2124-2130
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guillaud Emmanuel¹²³⁴⁵,Merabia Samy¹²³⁴⁵,de Ligny Dominique⁶⁷⁸⁹¹⁰,Joly Laurent¹²³⁴⁵

Affiliation:

1. Univ Lyon

2. Université Claude Bernard Lyon 1

3. CNRS

4. Institut Lumière Matière

5. LYON

6. Institute of Glass and Ceramics

7. Department of Material Science

8. University of Erlangen-Nürnberg

9. 91058 Erlangen

10. Germany

Abstract

We show that the TIP4P/2005f water model describes accurately the experimental viscosity and self-diffusion over a large temperature range. We then show the decoupling of viscosity and structural relaxation time in supercooled water.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP07863J

Reference54 articles.

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2. Equation of state for water and its line of density maxima down to −120 MPa

3. Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

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