Ice nanocolumns

A molecular dynamics study

Rodolfo G. Pereyra, Marcelo Carignano

Research output: Contribution to journalArticle

23 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
Externally publishedYes

Fingerprint

Ice
Molecular dynamics
ice
molecular dynamics
melting
thermoelectricity
cross sections
Distillation columns
Liquids
liquids
Contacts (fluid mechanics)
Melting point
Melting
Vapors
curvature
vapors
Computer simulation
simulation
temperature

ASJC Scopus subject areas

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

Cite this

Ice nanocolumns : A molecular dynamics study. / Pereyra, Rodolfo G.; Carignano, Marcelo.

In: Journal of Physical Chemistry C, Vol. 113, No. 29, 23.07.2009, p. 12699-12705.

Research output: Contribution to journalArticle

Pereyra, Rodolfo G. ; Carignano, Marcelo. / Ice nanocolumns : A molecular dynamics study. In: Journal of Physical Chemistry C. 2009 ; Vol. 113, No. 29. pp. 12699-12705.
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