Phase behavior of ionic clusters down to nanoscale. A review of recent work

As finding an exact and manageable partition function for nanoclusters is a desirable but, so far, unattainable task, approximated treatments are proposed to explain and predict phase changes and phase coexistence at these size scales. In this article, a review of those approaches is presented, main...

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Published inInternational journal of quantum chemistry Vol. 110; no. 2; pp. 284 - 292
Main Authors Rodrigues, Pedro C. R., Silva Fernandes, Fernando M. S.
Format Journal Article
LanguageEnglish
Published Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.02.2010
Subjects
nanoaggregates
nonequilibrium phase change
phase change
phase equilibria
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Summary:As finding an exact and manageable partition function for nanoclusters is a desirable but, so far, unattainable task, approximated treatments are proposed to explain and predict phase changes and phase coexistence at these size scales. In this article, a review of those approaches is presented, mainly focusing the authors work on the subject. The foundations and limitations of the proposed models are discussed and perspectives for extended treatments are given. The discussions are illustrated with new molecular dynamics simulations of unconstrained NaI and NaCl clusters. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Bibliography:istex:A0A89776EA1CCB6CFC5635DF5CB870551F46FDBC
Fundação para a Ciência e Tecnolgia (FCT, Portugal)
ArticleID:QUA22263
ark:/67375/WNG-DH05M98R-T
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.22263