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Simulation of Surface Morphology and Defect Structure in Copper Nanoparticles

Published online by Cambridge University Press:  14 March 2011

Yoshiaki Kogure  and
Masao Doyama
Yoshiaki Kogure
Affiliation:
Teikyo University of Science & Technology Uenohara, Yamanashi 409-0193, Japan
Masao Doyama
Affiliation:
Teikyo University of Science & Technology Uenohara, Yamanashi 409-0193, Japan
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Abstract

Molecular dynamics simulation for the morphology and the defect structure in nanoparticles has been performed. The nanoparticles are consisted of 1300 – 5000 atoms and the EAM potential developed by the present authors is adopted to calculate the interactions between atoms. The atom consisting the surfaces or defects are selected thorough the potential energy of individual atoms and structure is investigated by calculating the local crystalline order. A relation between the cooling rate and the particle morphology is also investigated.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 634: Symposium B – Structure and Mechanical Properties of Nanophase Materials-Theory & Computer Simulations vs. Experiment , 2000 , B8.4.1
Copyright
Copyright © Materials Research Society 2001

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References

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