Theoretical Study on Structural and Elastic Properties of ZnO Nanotubes
YUAN Peng-Fei1, DING Ze-Jun1, JU Xin2
1Hefei National Laboratory for Physical Sciences at Microscale and Department of Physics, University of Science and Technology of China, Hefei 2300262Department of Physics, Nanjing University, Nanjing 210093
Theoretical Study on Structural and Elastic Properties of ZnO Nanotubes
YUAN Peng-Fei1;DING Ze-Jun1;JU Xin2
1Hefei National Laboratory for Physical Sciences at Microscale and Department of Physics, University of Science and Technology of China, Hefei 2300262Department of Physics, Nanjing University, Nanjing 210093
摘要A theoretical investigation on the structural and elastic properties of ZnO nanotubes is carried out by using atomistic calculations based on an inter-atomic pair potential within the shell-model approach. The calculation results are presented for the bond length, bond angle, radius dilation, strain energy, Young modulus and Poisson ratio as a function of tube radius. For small tube radius these properties depend on the helicity of the tube, while for the tube radius larger than 6.0AA, they are independent of the tube radius and helicity except for the strain energy which decreases with increasing tube radius.
Abstract：A theoretical investigation on the structural and elastic properties of ZnO nanotubes is carried out by using atomistic calculations based on an inter-atomic pair potential within the shell-model approach. The calculation results are presented for the bond length, bond angle, radius dilation, strain energy, Young modulus and Poisson ratio as a function of tube radius. For small tube radius these properties depend on the helicity of the tube, while for the tube radius larger than 6.0AA, they are independent of the tube radius and helicity except for the strain energy which decreases with increasing tube radius.
YUAN Peng-Fei;DING Ze-Jun;JU Xin. Theoretical Study on Structural and Elastic Properties of ZnO Nanotubes[J]. 中国物理快报, 2008, 25(3): 1030-1033.
YUAN Peng-Fei, DING Ze-Jun, JU Xin. Theoretical Study on Structural and Elastic Properties of ZnO Nanotubes. Chin. Phys. Lett., 2008, 25(3): 1030-1033.
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