Nano Science and Technology Institute
Nanotech 2003 Vol. 3
Nanotech 2003 Vol. 3
Technical Proceedings of the 2003 Nanotechnology Conference and Trade Show, Volume 3
Chapter 4: Metallic Nano Structures

Atomistic Modeling on Structures of Ultrathin Copper Nanotubes

Authors:J.W. Kang and H.J. Hwang
Affilation:Computational Semiconductor Laboratory, KR
Pages:195 - 198
Keywords:copper nanotube, atomistic simulations, molecular dynamics simulations
Abstract:We have performed atomistic simulations for helical multi-shell (HMS) Cu nanowires and nanotubes. Our investigation on HMS Cu nanowires and nanotubes has revealed some physical properties that were not dealt in previous works that considered metal nanowires. As the diameter of HMS nanowires increased, their cohesive energy per atom decreased but their optimal lattice constants were almost constant. Shell-shell or core-shell interactions mainly affected on the lattice constant and the diameter of HMS nanowires or nanotubes. Our MD simulations showed that parts of ultrathin Cu nanotubes collapsed into the empty core at low temperature and this is main mechanism for the transformation from ultrathin nanotube to nanowire structures. This study showed that HMS Cu nanotubes can keep their own structures when the internal stress on HMS nanotubes are zero or toward the outside.
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