Abstract
In this study, molecular dynamics (MD) simulations were conducted to investigate thermal conductivity of carbon nanotube (CNT) under different conditions. Heat flux was applied on the system and temperature in each region of the single-walled CNT (SWCNT) was calculated from the velocities of atoms from MD simulation. Based on Fourier’s law, thermal conductivity was obtained from the heat flux and the calculated temperature gradient along the SWCNT. The MD simulation results showed that the surrounding conditions except for compression stress have a negative effect on the thermal conductivity of CNT.
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