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The European Physical Journal D

, Volume 53, Issue 1, pp 63–68 | Cite as

Superheating in metal nanoparticles with non-melting surfaces

  • S. C. HendyEmail author
  • D. Schebarchov
Clusters and Nanostructures

Abstract

We construct microcanonical caloric curves for aluminium nanoparticles with non-melting surface facets and diameters of up to 11 nm using molecular dynamics simulations. We find that fcc aluminium particles can be superheated above the bulk melting temperature, but only for a finite range of particle sizes i.e. diameters between 5–9 nm. We also observe a critical particle size where solid-liquid phase coexistence becomes stable, and a second larger critical size where premelted (100) facets can coexist with solid (111) facets. Ultimately, it is the premelting of the (100) facets that appears to limit the superheating effect in these particles.

PACS

68.08.-p Liquid-solid interfaces 61.46.Df Structure of nanocrystals and nanoparticles 68.18.Jk Phase transitions in liquid thin films 

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2009

Authors and Affiliations

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

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