@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} }