J Mater Sci Technol ›› 2001, Vol. 17 ›› Issue (03): 333-337.

• Research Articles • Previous Articles     Next Articles

Computer simulation and X-ray diffraction of nanocrystals

Ming CHANG, Baohe YANG, Xiaolu XI, Hao CHANG   

  1. Tianjin Institute of Technology, Tianjin 300191, China...
  • Received:1999-12-28 Revised:2000-03-29 Online:2001-05-28 Published:2009-10-10
  • Contact: Ming CHANG

Abstract: X-ray diffraction of structure in nanocrystalline alpha -Fe and Cu was studied by atomistic simulation. Atomic position equilibrium was reached by using molecular dynamics method to simulate nanocrystalline structure with Finnis potentials to model interatomic interactions. It was found that the boundary component exhibits short-range order, and the distortion in crystalline component increases with the decrease of grain size.

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