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The European Physical Journal D

, Volume 43, Issue 1–3, pp 11–14 | Cite as

Thermal instability of decahedral structures in platinum nanoparticles

  • D. Schebarchov
  • S. C. HendyEmail author
Structure and Thermodynamics of Free Clusters

Abstract.

We conduct molecular dynamics simulations of 887 and 1389-atom decahedral platinum nanoparticles using an embedded atom potential. By constructing microcanonical caloric curves, we identify structural transitions from decahedral to fcc in the particles prior to melting. The transitions take place during phase coexistence and appear to occur via melting of the decahedral structure and subsequent recrystallisation into the fcc structure.

PACS.

64.70.Dv Solid-liquid transitions 61.46.Df Nanoparticles 68.08.-p Liquid-solid interfaces 

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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  1. 1.MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of WellingtonWellingtonNew Zealand
  2. 2.Industrial Research LtdLower HuttNew Zealand

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