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Gold Nanobelt Reorientation by Molecular Dynamics Simulation |
| ZHANG Chun-Fang1;WEI He-Lin1;WANG Jian2;LIU Zu-Li1 |
| 1Department of Physics, Huazhong University of Science and Technology, Wuhan 4300742Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA |
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ZHANG Chun-Fang, WEI He-Lin, WANG Jian et al 2007 Chin. Phys. Lett. 24 2227-2229 |
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Abstract The embedded atom method is used to study the structure stability
of gold nanobelt. The Au nanobelts have a rectangular cross-section with
<100> orientation along the x-, y- and z-axes. Free surfaces are used along the x- and y-directions, and periodic boundary condition is used along z-direction. The simulation is performed at different temperatures and cross-section sizes. Our results show that the structure stability of the Au nanobelts depends on the nanobelt size, initial orientation, boundary conditions and temperature. A critical temperature exists for Au nanobelts to transform from initial <100> nanobelt to final <110> nanobelt. The mechanism of the reorientation is the slip and spread of dislocation through the nanobelt under compressive stress caused by tensile surface-stress components.
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| Keywords:
31.15.Qg
61.46.-w
61.72.Lk
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Received: 26 December 2006
Published: 25 July 2007
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