Journal of Cluster Science

, Volume 21, Issue 1, pp 45–55 | Cite as

Molecular Dynamics Simulation of the Melting and Coalescence in the Mixed Cu–Ni Nanoclusters

  • Guojian Li
  • Qiang Wang
  • Tie Liu
  • Kai Wang
  • Jicheng He
Original Paper

Abstract

Molecular dynamics simulation with the embedded atom method was applied to study the melting and coalescence in the mixed Cu–Ni nanoclusters. The validity of the model was tested by examining the consistency of the phase diagrams of the (Cu682-mNim)682 and (Cu1048-mNim)1048 clusters with the Cu–Ni bulk. The coalescences of two mixed Cu–Ni clusters and a pure Cu cluster with a pure Ni cluster were simulated. The coalesced temperature Tc forming a liquid complex and melting temperature Tm of the cluster with the same size were compared. The results indicate that Tc is higher than Tm for the coalescences of both (CuNi)682 and (CuNi)1048 clusters. The analysis of the relationship between the Cu–Ni bond content and Tc indicates that the formation of the Cu–Ni bonds contributes a lot to the phenomenon.

Keywords

Coalescence Mixed cluster Melting Molecular dynamics 

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Copyright information

© Springer Science+Business Media, LLC 2010

Authors and Affiliations

  • Guojian Li
    • 1
  • Qiang Wang
    • 1
  • Tie Liu
    • 1
  • Kai Wang
    • 1
  • Jicheng He
    • 1
  1. 1.Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education)Northeastern UniversityShenyangChina

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