Literature DB >> 21405300

Density fluctuations in liquid water.

Niall J English1, John S Tse.   

Abstract

The density distributions and fluctuations in grids of varying size in liquid water at ambient pressure, both above the freezing point and in the supercooled state, are analyzed from the trajectories obtained from large-scale molecular dynamics simulations. It is found that the occurrence of low- and high-density regions (LDL and HDL) is transient and their respective residence times are dependent on the size of the simulated system. The spatial extent of density-density correlation is found to be within 7 Å or less. The temporal existence of LDL and HDL arises as a result of natural density fluctuations of an equilibrium system. The density of bulk water at ambient conditions is homogenous.

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Year:  2011        PMID: 21405300     DOI: 10.1103/PhysRevLett.106.037801

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  9 in total

1.  The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water.

Authors:  Vladimir Belosludov; Kirill Gets; Ravil Zhdanov; Valery Malinovsky; Yulia Bozhko; Rodion Belosludov; Nikolay Surovtsev; Oleg Subbotin; Yoshiyuki Kawazoe
Journal:  Sci Rep       Date:  2020-04-30       Impact factor: 4.379

2.  Microscopic structure of water at elevated pressures and temperatures.

Authors:  Christoph J Sahle; Christian Sternemann; Christian Schmidt; Susi Lehtola; Sandro Jahn; Laura Simonelli; Simo Huotari; Mikko Hakala; Tuomas Pylkkänen; Alexander Nyrow; Kolja Mende; Metin Tolan; Keijo Hämäläinen; Max Wilke
Journal:  Proc Natl Acad Sci U S A       Date:  2013-03-11       Impact factor: 11.205

3.  A closer look at supercritical water.

Authors:  Giulia Galli; Ding Pan
Journal:  Proc Natl Acad Sci U S A       Date:  2013-04-02       Impact factor: 11.205

4.  Water Is a Cagey Liquid.

Authors:  Tomaz Urbic; Ken A Dill
Journal:  J Am Chem Soc       Date:  2018-12-03       Impact factor: 15.419

5.  The hydrogen-bond network of water supports propagating optical phonon-like modes.

Authors:  Daniel C Elton; Marivi Fernández-Serra
Journal:  Nat Commun       Date:  2016-01-04       Impact factor: 14.919

6.  How Water's Properties Are Encoded in Its Molecular Structure and Energies.

Authors:  Emiliano Brini; Christopher J Fennell; Marivi Fernandez-Serra; Barbara Hribar-Lee; Miha Lukšič; Ken A Dill
Journal:  Chem Rev       Date:  2017-09-26       Impact factor: 60.622

7.  Reply to Pettersson et al.: Why X-ray spectral features are compatible to continuous distribution models in ambient water.

Authors:  Johannes Niskanen; Mattis Fondell; Christoph J Sahle; Sebastian Eckert; Raphael M Jay; Keith Gilmore; Annette Pietzsch; Marcus Dantz; Xingye Lu; Daniel E McNally; Thorsten Schmitt; Vinicius Vaz da Cruz; Victor Kimberg; Faris Gel'mukhanov; Alexander Föhlisch
Journal:  Proc Natl Acad Sci U S A       Date:  2019-08-20       Impact factor: 11.205

8.  On the existence of soliton-like collective modes in liquid water at the viscoelastic crossover.

Authors:  V E Zakhvataev; L A Kompaniets
Journal:  Sci Rep       Date:  2021-03-08       Impact factor: 4.379

9.  Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction.

Authors:  Soohaeng Yoo Willow; Michael A Salim; Kwang S Kim; So Hirata
Journal:  Sci Rep       Date:  2015-09-24       Impact factor: 4.379

  9 in total

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