Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Phase Transition of Confined Gold Nanoparticles: Replica Exchange Molecular Dynamics Study

  • Kim, Hyun-Sik (Department of Chemistry, Institute for Chemical Biology, Sejong University) ;
  • Li, Feng-Yin (Department of Chemistry, National Chung Hsing University) ;
  • Jang, Soon-Min (Department of Chemistry, Institute for Chemical Biology, Sejong University)
  • Received : 2011.12.05
  • Accepted : 2012.01.05
  • Published : 2012.03.20
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Abstract

The classical molecular dynamics simulation was used to study the phase transition of gold nanoparticles under confinement using Sutton-Chen (SC) potential. Metal gold nanoparticles with different number of atoms are subject to replica exchange molecular dynamics simulation for this purpose. The simulation showing the solidto-liquid melting temperature largely remains unaffected by confinement, while the confinement induces characteristic pre-melting at very low temperature depending on atom number in nanoparticles.

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References

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