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Interfacial Thermal Resistance Based Effective Thermal Properties of Nanocomposite Systems at Various Strain States: A Multiscale Computational Approach
Abstract
Single Walled and Double Walled Carbon Nanotubes (SWCNTs) have excellent thermal characteristics that qualify them as ideal candidates for thermal management in electronics and nano-composites. The thermal conductivity of the nanotube system is found to be dependent on the size of the nanotube (length and diameter) and its strain state. Additionally, the effect of size of the nanoparticle also influences the thermal characteristics in the form of interfacial thermal resistance of the nanostructure. Two Molecular Dynamics based simulation methodologies namely the equilibrium MD (EMD) and non-equilibrium MD (NEMD) methods are widely used to determine the thermal conductivities of nanotube systems. In this work, the thermal conductivities of the nanotube systems are determined using LAMMPS with AIREBO potential using a Reverse Non-Equilibrium Molecular Dynamics (RNEMD) method. The effect of interfacial thermal resistance of the nanotube together with the effect of strain state is used in a continuum based formulation to determine the effective thermal conductance of the nano-composite system.
DOI
10.12783/asc33/26013
10.12783/asc33/26013
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