Melting behavior of nanometer sized gold isomers

H. B. Liu, J. A. Ascencio, M. Perez-Alvarez, M. J. Yacaman

Research output: Contribution to journalArticlepeer-review

93 Scopus citations


In the present work, the melting behavior of nanometer sized gold isomers was studied using a tight-binding potential with a second momentum approximation. The cases of cuboctahedra, icosahedra, Bagley decahedra, Marks decahedra and star-like decahedra were considered. We calculated the temperature dependence of the total energy and volume during melting and the melting point for different types and sizes of clusters. In addition, the structural evolutions of the nanosized clusters during the melting transition were monitored and revealed. It is found that the melting process has three characteristic time periods for the intermediate nanosized clusters. The whole process includes surface disordering and reordering, followed by surface melting and a final rapid overall melting. This is a new observation, which it is in contrast with previous reports where surface melting is the dominant step.

Original languageEnglish (US)
Pages (from-to)88-98
Number of pages11
JournalSurface Science
Issue number1-2
StatePublished - 2001
Externally publishedYes


  • Clusters
  • Computer simulations
  • Gold
  • Surface melting

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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