The self-consistent charge density functional based tight-binding method is used to calculate the effect of curvature on the structure, average energy of atoms and Young's modulus of armchair single-wall carbon nanotubes (SWCNTs) under axial strains. We found that as the amount of curvature increases, the average energy of atoms and the Young's modulus decrease and the equilibrium C-C distance increases for (7,7) SWCNTs. However, we also found that the average energy of atoms and Young's modulus of (5,5) SWCNTs are weakly affected by increasing the amount of curvature. Our results also show that the average energy of atoms and Young's modulus of smaller diameter armchair nanotubes are smaller than that of the larger diameter ones. (C) 2012 Elsevier Ltd. All rights reserved.
机构:
N China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R ChinaN China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China
Cai, J.
Wang, Y. D.
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Northeastern Univ, Key Lab Anisotropy & Texture Mat, Minist Educ, Shenyang 110004, Peoples R ChinaN China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China
Wang, Y. D.
Wang, C. Y.
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Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R ChinaN China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China
机构:
N China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R ChinaN China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China
Cai, J.
Wang, Y. D.
论文数: 0引用数: 0
h-index: 0
机构:
Northeastern Univ, Key Lab Anisotropy & Texture Mat, Minist Educ, Shenyang 110004, Peoples R ChinaN China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China
Wang, Y. D.
Wang, C. Y.
论文数: 0引用数: 0
h-index: 0
机构:
Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R ChinaN China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China