Volume 16, Issue 1
Remarkable Thermal Contraction in Small Size Single-Walled Boron Nanotubes

Xianhu Zha, Shuang Li, Ruiqin Zhang & Zijing Lin

Commun. Comput. Phys., 16 (2014), pp. 201-212.

Published online: 2014-07

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  • Abstract

Density functional theory combined with the Grüneisen 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.

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@Article{CiCP-16-201, author = {}, title = {Remarkable Thermal Contraction in Small Size Single-Walled Boron Nanotubes}, journal = {Communications in Computational Physics}, year = {2014}, volume = {16}, number = {1}, pages = {201--212}, abstract = {

Density functional theory combined with the Grüneisen 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.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.230913.201113a}, url = {http://global-sci.org/intro/article_detail/cicp/7039.html} }
TY - JOUR T1 - Remarkable Thermal Contraction in Small Size Single-Walled Boron Nanotubes JO - Communications in Computational Physics VL - 1 SP - 201 EP - 212 PY - 2014 DA - 2014/07 SN - 16 DO - http://doi.org/10.4208/cicp.230913.201113a UR - https://global-sci.org/intro/article_detail/cicp/7039.html KW - AB -

Density functional theory combined with the Grüneisen 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.

Xianhu Zha, Shuang Li, Ruiqin Zhang & Zijing Lin. (2020). Remarkable Thermal Contraction in Small Size Single-Walled Boron Nanotubes. Communications in Computational Physics. 16 (1). 201-212. doi:10.4208/cicp.230913.201113a
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