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

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

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CHANG MING, YANG BAO-HE, CHANG HAO

Acta Phys. Sin., 1999, 48(7): 1215-1222.

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.
Authors and contacts
CHANG MING²,

YANG BAO-HE²,

CHANG HAO¹

(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
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