Formation of stacking faults during ice growth on hexagonal and cubic substrates

Research output: Contribution to journalArticle

49 Citations (Scopus)

Abstract

We present a molecular dynamics simulation study of ice growth from supercooled water in contact with: (i) the basal plane of hexagonal ice and (ii) the (111) plane of cubic ice. We observe that, regardless of the substrate, a variable number of stacking faults appear during the crystallization. The simulations also show that the formation of cubic ice is more likely than the formation of hexagonal ice, in agreement with recent experimental findings and the Ostwald step rule.

Original languageEnglish
Pages (from-to)501-504
Number of pages4
JournalJournal of Physical Chemistry C
Volume111
Issue number2
DOIs
Publication statusPublished - 18 Jan 2007
Externally publishedYes

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Stacking faults
Ice
crystal defects
ice
Substrates
Crystallization
Molecular dynamics
simulation
crystallization
molecular dynamics
Water
Computer simulation
water

ASJC Scopus subject areas

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

Cite this

Formation of stacking faults during ice growth on hexagonal and cubic substrates. / Carignano, Marcelo.

In: Journal of Physical Chemistry C, Vol. 111, No. 2, 18.01.2007, p. 501-504.

Research output: Contribution to journalArticle

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