Atomistic Simulations on Polycrystalline Cu Nanowires under Tension, Bending and Torsion Loadings

Recent experiment observations show that metallic NWs prepared by means of the electrodeposition technique at the appropriate temperature and pressure are often polycrystalline. By using molecular dynamics simulations, in the test of polycrystalline Cu nanowires under tension, we demonstrate that th...

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Bibliographic Details
Published in:Proceedings of the 2nd International Symposium on Computational Mechanics and the 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science 2009-12, Vol.1233, p.1315-1320
Main Authors: Tian, X, Cui, J Z, Xiang, M Z
Format: Article
Language:English
Subjects:
BENDING
BOUNDARIES
COMPUTER SIMULATION
Copper
CRYSTAL STRUCTURE
DEFORMATION
DISLOCATIONS
Electrodeposition
Grains
MICROWIRE
Migration
Molecular dynamics
Nanowires
Necking
Pills
Plastic deformation
Simulation
SINGLE CRYSTALS
Torsion
TWIN BOUNDARIES
Yield strength
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Summary:Recent experiment observations show that metallic NWs prepared by means of the electrodeposition technique at the appropriate temperature and pressure are often polycrystalline. By using molecular dynamics simulations, in the test of polycrystalline Cu nanowires under tension, we demonstrate that the yield strength is quite lower than that of the single-crystalline counterparts. Moreover, unlike the necking of single-crystalline nanowires caused by the the twin boundary propagation, the necking of polycrystalline Cu nanowires is the result of the grain migration. Then for polycrystalline Cu nanowires subjected to bending, we detect both the full dislocations and deformation twins during the deformation process. In addition, we observe that when the dislocations meet with the twin boundaries, they will pill up on them, leading to some steps of one atomic layer thickness left on the twin boundaries. Finally, we conclude that twining is an important plastic deformation mechanism for polycrystalline Cu nanowires under torsion loadings. Essentially, multifold twins are abundant and a typical fivefold deformation twin is displayed in this paper.
ISSN:0094-243X