Thermal conductivity and interfacial thermal resistance behavior for the polyaniline-boron carbide heterostructure.

In this paper, by employing non-equilibrium molecular dynamics simulations (NEMD), the thermal conductance of the hybrid formed by polyaniline (C3N) and boron carbide (BC3) in both the armchair and zigzag configurations has been investigated. For this purpose, by creating superlattices with different periodic lengths (lp), the thermal conductivity of the entire hybrid at various lengths and also at infinity has been reported. In addition, the thermal conductivity of each sheet and also the interface thermal resistance (ITR) between them under various conditions have been computed and how this changes upon varying the length, width, temperature, uniaxial strain, point vacancy, and circular defects has been recorded and plotted.