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

Xianhu Zha, Shuang Li, Ruiqin Zhang & Zijing Lin

DOI: 10.4208/cicp.230913.201113a

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 = {Xianhu Zha, Shuang Li, Ruiqin Zhang and Zijing Lin}, 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 AU - Xianhu Zha, Shuang Li, Ruiqin Zhang & Zijing Lin 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 and Zijing Lin. (2014). 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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