Thermal behavior of multi-walled α-graphyne nanotubes: the influence of strain, temperature, and stacking order

Abstract

In this study, molecular dynamics (MD) simulations are employed to investigate the thermal conductivity (TC) behavior of α-graphyne nanotubes (α-GNTs). The effects of various parameters on the TC of armchair and zigzag α-GNTs are systematically analyzed. The results reveal that both armchair and zigzag α-GNTs exhibit TC coefficients of approximately 1 W/mK, which is significantly lower than that of carbon nanotubes (CNTs). Additionally, it is observed that nanotubes with larger diameters possess higher TC coefficients. The analysis further indicates that an increase in the number of walls leads to a reduction in the TC coefficient. Moreover, at identical diameters and lengths, the influence of stacking order on the TC of double-walled nanotubes is negligible.