Remarkable thermal contraction in small size single-walled boron nanotubes
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Author(s)
Detail(s)
| Original language | English |
|---|---|
| Pages (from-to) | 201-212 |
| Journal / Publication | Communications in Computational Physics |
| Volume | 16 |
| Issue number | 1 |
| Publication status | Published - Jul 2014 |
Link(s)
Abstract
Density functional theory combined with the Gr uneisen approximation is used to calculate the thermal properties of single-walled boron nanotubes (BNTs). The specific heat and thermal expansion are investigated. The thermal expansion coefficient of the BNT is found to be significantly correlated with tube size and chirality. A remarkable thermal contraction is found at small tube diameters. These results indicate that BNTs would have potential applications in sensors, actuators, and memory materials. © 2014 Global-Science Press.
Research Area(s)
- Density functional theory, Gr uneisen approximation, Remarkable thermal contraction, Single-walled boron nanotubes
Citation Format(s)
Remarkable thermal contraction in small size single-walled boron nanotubes. / Zha, Xianhu; Li, Shuang; Zhang, Ruiqin et al.
In: Communications in Computational Physics, Vol. 16, No. 1, 07.2014, p. 201-212.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
