摘要
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.
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.
基金
The project was supported hy the Natural ScieIlceI:',undation of Tia11jin (95:j60:j4l 1 ).
