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SIMULATION AND DISCUSSION OF THE LATTICE DISTORTION AND ELASTIC MODULUS OF NANOCRYSTALS

CHANG HAO CHANG MING YANG BAO-HE

SIMULATION AND DISCUSSION OF THE LATTICE DISTORTION AND ELASTIC MODULUS OF NANOCRYSTALS

CHANG HAO, CHANG MING, YANG BAO-HE
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  • Received Date:  29 September 1998
  • Accepted Date:  30 November 1998
  • Published Online:  20 July 1999

SIMULATION AND DISCUSSION OF THE LATTICE DISTORTION AND ELASTIC MODULUS OF NANOCRYSTALS

  • 1. (1)合肥工业大学应用物理系,合肥 230009; (2)天津理工学院光电信息科学系,天津 300191

Abstract: This paper reports a molecular dynamics simulation for atomic structure of copper nanocrystals, in which the grain size and lattice distortion were computed by X-ray differaction simulation, and the distribution of energy and elastic modulus was calculated. The results show that the lattice distortion was stored not only at grain boundaries but also in the grain. The increase of atomic radius leads to the reduction of the elastic modulus of the nanocrystals.

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