Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/3250
Title: Enhanced mechanical strength and ductility of metal-repaired defective carbon nanotubes : a density functional study
Authors: Zheng, G 
Zhuang, HL
Keywords: Band structure
Carbon nanotubes
Density functional theory
Ductility
Magnetomechanical effects
Solid-state phase transformations
Tensile strength
Vacancies (crystal)
Issue Date: 12-May-2008
Publisher: American Institute of Physics
Source: Applied physics letters, 12 May, 2008, v. 92, no. 19, 191902, p. 1-3 How to cite?
Journal: Applied physics letters 
Abstract: Metal atoms are filled into the defective sites of single-walled carbon nanotube (SWCN) containing vacancy defects, resulting in a stable repaired SWCN. The tensile deformation of the repaired SWCN is investigated by spin-polarized density functional theory. Compared to the defective SWCN, the repaired CN shows significant enhancements in mechanical strength and ductility that are close to those of pristine CN. The underlying physics of these behaviors are analyzed by the structural transformation, electronic structures, and spin and charge distributions during the tensile tests. A strong magnetomechanical coupling effect is found to be responsible for the enhanced mechanical behaviors of metal-CN hybrid structures.
URI: http://hdl.handle.net/10397/3250
ISSN: 0003-6951 (print)
1077-3118 (online)
DOI: 10.1063/1.2924275
Rights: © 2008 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in G. P. Zheng & H. L. Zhuang, Appl. Phys. Lett. 92, 191902 (2008) and may be found at http://apl.aip.org/resource/1/applab/v92/i19/p191902_s1
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