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Correlation between electron irradiation defects and applied stress in carbon nanotubes: A molecular dynamics study

Molecular dynamics simulations have been performed to study the correlation between electron irradiation defects and applied stress in single-walled carbon nanotubes. The electron irradiation effect is modeled based on the Monte Carlo method using binary collision theory. The simulations show that the number of knock-on defects is not significantly affected by applied stress. Electron collision causes early stage defects such as bond breaking and punched-out atoms. The applied stresses become nonequilibrium and concentrates around the defect site. The biased stresses become driving forces and cause bond shifts and rotations, which results in the formation of pentagon–heptagon pairs and Stone–Wales defects.

Authors:   Masaaki Yasuda, Yoshinori Chihara, Kazuhiro Tada, Hiroaki Kawata, and Yoshihiko Hirai
Journal:   Journal of Vacuum Science & Technology B
Volume:   31
edition:   6
Year:   2013
Pages:   06FF06
DOI:   10.1116/1.4823760
Publication date:   01-Oct-2013
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