Ice Nanocolumns: A Molecular Dynamics Study

PEREYRA R. G.; CARIGNANO M.

JOURNAL OF PHYSICAL CHEMISTRY

AMER CHEMICAL SOC

Año: 2009 vol. 113 p. 12699 - 12705

0022-3654

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