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THE MOLECULAR DYNAMICS SIMULATION FOR THE STRUCTURE AND PROPERTIES OF NANOCRYSTALLINE COPPER

SUN WEI CHANG MING YANG BAO-HE

THE MOLECULAR DYNAMICS SIMULATION FOR THE STRUCTURE AND PROPERTIES OF NANOCRYSTALLINE COPPER

SUN WEI, CHANG MING, YANG BAO-HE
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Publishing process
  • Received Date:  07 July 1997
  • Accepted Date:  28 August 1997
  • Published Online:  20 April 1998

THE MOLECULAR DYNAMICS SIMULATION FOR THE STRUCTURE AND PROPERTIES OF NANOCRYSTALLINE COPPER

  • 1. 天津理工学院,天津 300191

Abstract: This paper presents a molecular dynamics simulation for the atomic structure of nanocrystalline copper.The density,energy distribution,X-ray diffraction patterns and radial distribution function were calculated as functions of grain size in the nanocrystal.The results show that the large volume fraction of the boundaries and the distortion of the grains make the properties of nanocrystals different from those of materials consisting of coarse grains.

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