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

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

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 (Cu_682-mNi_m)₆₈₂ and (Cu_1048-mNi_m)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 T
_c forming a liquid complex and melting temperature T
_m of the cluster with the same size were compared. The results indicate that T
_c is higher than T
_m for the coalescences of both (CuNi)₆₈₂ and (CuNi)₁₀₄₈ clusters. The analysis of the relationship between the Cu–Ni bond content and T
_c indicates that the formation of the Cu–Ni bonds contributes a lot to the phenomenon.

• Content Type Journal Article
• Category Original Paper
• DOI 10.1007/s10876-010-0281-2
• Authors
  
  
  • Guojian Li, Northeastern University Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education) 110004 Shenyang China
  • Qiang Wang, Northeastern University Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education) 110004 Shenyang China
  • Tie Liu, Northeastern University Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education) 110004 Shenyang China
  • Kai Wang, Northeastern University Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education) 110004 Shenyang China
  • Jicheng He, Northeastern University Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education) 110004 Shenyang China
  
  

• Journal Journal of Cluster Science
• Online ISSN 1572-8862
• Print ISSN 1040-7278

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