Literature DB >> 21992320

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water.

David T Limmer1, David Chandler.   

Abstract

We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of multiple order parameters, where one is density and another distinguishes crystal from liquid. For a range of temperatures and pressures, separate free energy basins for liquid and crystal are found, conditions of phase coexistence between these phases are demonstrated, and time scales for equilibration are determined. We find that at no range of temperatures and pressures is there more than a single liquid basin, even at conditions where amorphous behavior is unstable with respect to the crystal. We find a similar result for a related model of silicon. This result excludes the possibility of the proposed liquid-liquid critical point for the models we have studied. Further, we argue that behaviors others have attributed to a liquid-liquid transition in water and related systems are in fact reflections of transitions between liquid and crystal.
© 2011 American Institute of Physics

Entities:  

Year:  2011        PMID: 21992320     DOI: 10.1063/1.3643333

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  35 in total

1.  Structural transformation in supercooled water controls the crystallization rate of ice.

Authors:  Emily B Moore; Valeria Molinero
Journal:  Nature       Date:  2011-11-23       Impact factor: 49.962

2.  Two-dimensional Raman-terahertz spectroscopy of water.

Authors:  Janne Savolainen; Saima Ahmed; Peter Hamm
Journal:  Proc Natl Acad Sci U S A       Date:  2013-12-02       Impact factor: 11.205

3.  Free energy of formation of small ice nuclei near the Widom line in simulations of supercooled water.

Authors:  Connor R C Buhariwalla; Richard K Bowles; Ivan Saika-Voivod; Francesco Sciortino; Peter H Poole
Journal:  Eur Phys J E Soft Matter       Date:  2015-05-21       Impact factor: 1.890

4.  Link between molecular mobility and order parameter during liquid-liquid transition of a molecular liquid.

Authors:  Ken-Ichiro Murata; Hajime Tanaka
Journal:  Proc Natl Acad Sci U S A       Date:  2019-04-03       Impact factor: 11.205

5.  Polymorphism and polyamorphism in bilayer water confined to slit nanopore under high pressure.

Authors:  Jaeil Bai; Xiao Cheng Zeng
Journal:  Proc Natl Acad Sci U S A       Date:  2012-12-10       Impact factor: 11.205

6.  Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization: Bond orientational order in liquids.

Authors:  Hajime Tanaka
Journal:  Eur Phys J E Soft Matter       Date:  2012-10-31       Impact factor: 1.890

7.  Derivation and assessment of phase-shifted, disordered vector field models for frustrated solvent interactions.

Authors:  Jeffrey K Weber; Vijay S Pande
Journal:  J Chem Phys       Date:  2013-02-28       Impact factor: 3.488

8.  Debated waters.

Authors: 
Journal:  Nat Mater       Date:  2014-07       Impact factor: 43.841

9.  Metastable liquid-liquid transition in a molecular model of water.

Authors:  Jeremy C Palmer; Fausto Martelli; Yang Liu; Roberto Car; Athanassios Z Panagiotopoulos; Pablo G Debenedetti
Journal:  Nature       Date:  2014-06-19       Impact factor: 49.962

10.  Microscopic identification of the order parameter governing liquid-liquid transition in a molecular liquid.

Authors:  Ken-ichiro Murata; Hajime Tanaka
Journal:  Proc Natl Acad Sci U S A       Date:  2015-04-27       Impact factor: 11.205

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