M. Z. Rashid, S. Sundaresan, T. Jayasekera, S. Ahmed
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VFF-Monte Carlo framework for phonon transport in nanostructures
Accurate modeling of non-equilibrium heat transport in nanostructures demands an appropriate description of phonon dispersion relation and proper treatment of various anharmonic effects. In this work, we develop and employ a coupled VFF molecular mechanics-Monte Carlo (VFF-MC) platform to solve the phonon Boltzmann Transport Equation (BTE) for modeling thermal conductivity in nanostructures having specified geometry.
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