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Thermal-stability and Tensile Properties of Single-walled Si-H Nanotubes
SHEN Haijun, SHI Youjin
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2008, 25 (1): 92-96.  
Abstract274)      PDF (316KB)(1180)      
With a Tersoff-potential based MD(molecular dynamics) method, thermal-stability and tensile properties of Sio-H(hydrogenated outside) and Siio-H(hydrogenated outside and inside) single wall nanotubes are investigated. Compared with a(14,14) carbon nanotube, the axial-tensile properties of Sio-H and Siio-H nanotubes are discussed. The results show:1)The Sio-H and Siio-H nanotubes have similar Si skelectons with t {110} crystal-pane of a single-crystal silicon and exist stably only at a temperature lower than 150 K and 75 K, respectively. 2) Sio-H and Siio-H nanotubes have anti-tensile strength of 4.0 and 1.2 GPa, and fracture strain of 35% and 32%, respectively, which are much lower than those of a(14,14) carbon nanotube.
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