NDLI: Molecular Dynamics Simulation of Mechanical Properties of Single-Crystal Bismuth Telluride Nanowire

Content Provider	Springer Nature Link
Author	Tong, Y. Yi, F. J. Liu, L. S. Zhang, Q. J.
Copyright Year	2010
Abstract	The mechanical properties of single-crystal bismuth telluride nanowires have been studied by molecular dynamics methods. The mechanical behavior of the Bi$_{2}$Te$_{3}$ nanowire for two principal axes was simulated under different strain rates at low temperature and the results compared with those of bulk Bi$_{2}$Te$_{3}$. The simulation results show that, due to its marked anisotropy, the nanowire shows quite different failure behaviors in the two directions, with the failure stress for the a-axis (4.7 GPa) being three times that for the c-axis (1.4 GPa). The stress–strain curve of the nanowire is different from that for Bi$_{2}$Te$_{3}$ bulk, as surface stress induced by atomic rearrangement significantly reduces the strength of the nanowire. The effect of strain rate on the mechanical properties of the nanowire has also been analyzed, showing that the failure stress and failure strain decrease with decreasing strain rate, a behavior not apparent in the bulk Bi$_{2}$Te$_{3}$ simulation.
Starting Page	1730
Ending Page	1734
Page Count	5
File Format	PDF
ISSN	03615235
Journal	Journal of Electronic Materials
Volume Number	39
Issue Number	9
e-ISSN	1543186X
Language	English
Publisher	Springer US
Publisher Date	2010-04-06
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Molecular dynamics bismuth telluride nanowire strain rate Solid State Physics Electronics and Microelectronics, Instrumentation Characterization and Evaluation of Materials Optical and Electronic Materials
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Electronic, Optical and Magnetic Materials Condensed Matter Physics Electrical and Electronic Engineering

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