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Phase transition and coalescence behavior of fcc Fe nanoparticles: a molecular dynamics study

Wang Zhi-Gang Wu Liang Zhang Yang Wen Yu-Hua

Phase transition and coalescence behavior of fcc Fe nanoparticles: a molecular dynamics study

Wang Zhi-Gang, Wu Liang, Zhang Yang, Wen Yu-Hua
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  • Received Date:  27 January 2011
  • Accepted Date:  13 March 2011
  • Published Online:  15 September 2011

Phase transition and coalescence behavior of fcc Fe nanoparticles: a molecular dynamics study

  • 1. (1)College of Physics and Electronic Engineering, Leshan Teachers’ College, Leshan 614004, China;Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005, China; (2)Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005, China

Abstract: In this paper, we present a systematic investigation on phase transition and coalescence behavior of fcc Fe nanoparticles under heating by molecular dynamics approach with Finnis-Sinclair many-body potential. The simulation results show that for fcc Fe nanoparticles, the martensitic transformation from fcc to bcc phase occurs prior to the melting. Relative rotation occurs between two like nanoparticles, but it does not happen in two nanoparticles with different sizes. A small nanoparticle prfers to adhere to a large one and is melted with temperature increasing, resulting in the final formation of a larger particle.

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