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Molecular simulation study of the effect of inner wall modified groups on ionic hydration confined in carbon nanotube

โœ Scribed by Yudan Zhu; Xiaojing Guo; Qing Shao; Mingjie Wei; Ximing Wu Linghong Lu; Xiaohua Lu


Book ID
108132473
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
278 KB
Volume
297
Category
Article
ISSN
0378-3812

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Using molecular dynamics simulation, we investigate the influence of Stone-Thrower-Wales defects in the mechanical behavior of a zigzag (5, 0) single-walled carbon nanotube considering two different interatomic potential functions, the Tersoff-Brenner bond order potential and the Tight-Binding poten