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Copper Nanobelt Reorientation by Molecular Dynamics Simulation |
| SHEN Min1;WEI He-Lin1;WANG Jian2;LIU Zu-Li1 |
| 1Department of Physics, Huazhong University of Science and Technology, Wuhan 430074
2Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180, USA |
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| Cite this article: |
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SHEN Min, WEI He-Lin, WANG Jian et al 2006 Chin. Phys. Lett. 23 2721-2724 |
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Abstract Atomic simulations using embedded atom method (EAM) are performed for Cu <100> nanobelts to study the structural and mechanical behaviour. Cu <100> nanobelts are along [001] taken as the z-axis and have a rectangular cross section in the x-y plane, with [100] and [010] taken as x and y axes. The periodic boundary is used along the z-axis to simulate an infinitely long nanobelt, and other surfaces are free. The simulations are carried out under the mechanical loading with an elongation strain rate of 8.0×108s-1 along the z-axis. The results show that the nanobelt undergoes a transition from the initial structure with a <100> axis and {100} lateral surfaces to a new structure with the <112> as the z-axis and the lateral surfaces are {111} and {110} respectively, instead of the original {100} surfaces. The mechanism of the structural transition is ascribed to the dislocation propagation through the nanobelt under the external stresses.
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| Keywords:
31.15.Qg
62.25.+g
61.46.+w
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Published: 01 October 2006
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