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Molecular-Dynamics Modelling of the Tensile Deformation of Helical Nanowires

Published online by Cambridge University Press:  10 February 2011

K. Shintani  and
S. Kameoka
K. Shintani
Affiliation:
Dept of ME & Intelligent Sys, Univ of Electro-Comm, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan
S. Kameoka
Affiliation:
Dept of ME & Intelligent Sys, Univ of Electro-Comm, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan
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Abstract

Deformations of Au nanowires of helical structures under enforced elongation are addressed by the molecular-dynamics simulation. The embedded-atom method potential is employed for calculating the interaction between Au atoms. Model nanowires of the two kinds of helicities are prepared. Before elongation, a model nanowire is equilibrated at a specified temperature. Then, the Au atoms at one end of the nanowire are translationally moved in the axial direction. The simulation results show that a model nanowire can be elongated to form a single-atom chain of Au atoms under some circumstances.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 778: Symposium U – Mechanical Properties Derived from Nanostructuring Materials , 2003 , U6.12
Copyright
Copyright © Materials Research Society 2002

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