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

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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
Issue number2
Publication statusPublished - 18 Jan 2007
Externally publishedYes


ASJC Scopus subject areas

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

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