Volume 17, Issue 3 ((Iranian Journal of Physics Research,summer 2017)                   IJPR 2017, 17(3): 491-497 | Back to browse issues page


XML Persian Abstract Print


Download citation:
BibTeX | RIS | EndNote | Medlars | ProCite | Reference Manager | RefWorks
Send citation to:

Davoodi J, Yousefi R. Molecular dynamics simulation of phase transition of boron nitride single walled nanotube. IJPR. 2017; 17 (3) :491-497
URL: http://ijpr.iut.ac.ir/article-1-1818-en.html
University of Zanjan , jdavoodi@znu.ac.ir
Abstract:   (3199 Views)

The melting of zigzag, armchair and chiral single walled boron nitride nanotubes (SWBNs) investigated using molecular dynamics (MD) simulation based on Tersoff-like many body potential. The MD simulation has been employed in the constant pressure, constant temperature (NPT) ensemble. The temperature and pressure of the system were controlled by Nose-Hoover thermostat and Berendsen barostat, respectively. We have computed the variation of the melting temperature with the radius of BN nanotube. The results show that the melting temperature of nanotubes increase with increasing in the size of radii, but this dependence is not the same for the various chiral angle of nanotubes. The relation of the melting point with radius for three types of nanotubes i.e. zigzag, armchair and chiral obtained. Moreover, our results show that the melting temperature of nanotubes approach a constant value at larger radii.

Full-Text [PDF 12 kb]   (754 Downloads)    
Type of Study: Research | Subject: General

Add your comments about this article : Your username or Email:
CAPTCHA

Send email to the article author


© 2019 All Rights Reserved | Iranian Journal of Physics Research

Designed & Developed by : Yektaweb