Literature DB >> 17176136

Thermodynamics of water octamer in a uniform electric field.

Javier Hernández-Rojas1, Briesta S González, Tim James, David J Wales.   

Abstract

We study the water octamer in a uniform electric field using the all-exchanges parallel tempering Monte Carlo method in the canonical ensemble. The heat capacity, quenched energy configurations, and the order parameter Q(4) are employed to understand the phase changes observed as a function of temperature and the strength of the applied electric field. At a low field strength of 0.1 V A(-1) a solidlike to liquidlike "melting" transition is detected. The corresponding heat capacity peak appears around 206 K, where Q(4) shows a significant change of slope. For E> or =0.5 V A(-1) such features are absent. However, at E=0.5 V A(-1) we find a solidlike to solidlike transition between cubic and extended structures around T approximately 25 K.

Entities:  

Year:  2006        PMID: 17176136     DOI: 10.1063/1.2400853

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


  2 in total

1.  Folding of gas-phase polyalanines in a static electric field: alignment, deformations, and polarization effects.

Authors:  F Calvo; P Dugourd
Journal:  Biophys J       Date:  2008-01-25       Impact factor: 4.033

2.  Structure of the floating water bridge and water in an electric field.

Authors:  Lawrie B Skinner; Chris J Benmore; Badri Shyam; J K R Weber; John B Parise
Journal:  Proc Natl Acad Sci U S A       Date:  2012-09-24       Impact factor: 11.205

  2 in total

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