Ice nanocolumns: A molecular dynamics study

Rodolfo G. Pereyra, Marcelo A. Carignano

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

Ice nanocolumns parallel to the c axis of hexagonal ice are studied by molecular dynamics simulations. It is found that the columns have a very stable hexagonal cross section and are wetted by a thin quasi-liquid layer which forms the interface with the vapor. The Gibbs-Thomson effect is clearly observed, as the melting temperature decreases with increasing curvature. The ice/quasi-liquid layer contact is generally a sharp interface on the primary prismatic plane of the ice, and the secondary prismatic plane is observed to be unstable. The hexagonal cross section of the columns is maintained during the melting process.

Original languageEnglish
Pages (from-to)12699-12705
Number of pages7
JournalJournal of Physical Chemistry C
Volume113
Issue number29
DOIs
Publication statusPublished - 23 Jul 2009

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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