Rongshan Wang, Huaiyu Hou, Xiaodong Ni, and Guoliang Chen, Molecular dynamics simulation of Ni3Al melting, J. Univ. Sci. Technol. Beijing, 15(2008), No. 4, pp. 425-429. https://doi.org/10.1016/S1005-8850(08)60080-8
Cite this article as:
Rongshan Wang, Huaiyu Hou, Xiaodong Ni, and Guoliang Chen, Molecular dynamics simulation of Ni3Al melting, J. Univ. Sci. Technol. Beijing, 15(2008), No. 4, pp. 425-429. https://doi.org/10.1016/S1005-8850(08)60080-8
Materials

Molecular dynamics simulation of Ni3Al melting

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  • Corresponding author:

    Rongshan Wang    E-mail: rswang@163.com

  • Received: 26 August 2007
  • With the Voter-Chen version of embedded-atom model (EAM) potential and molecular dynamics, the melting of Ni3Al alloy was simulated by one-phase (conventional) and two-phase approaches. It is shown that the simulated melting point is dependent on the potential and the simulation method. The structures of the melts obtained by different simulation methods were analyzed by the pair correlation function, the coordination number, and the distribution of atom pair type (indexed by the Honeycutt-Andersen pair analysis technique). The results show that the structures are very similar.
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