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.