I. Bejenari, A. Burenkov, P. Pichler, I. Deretzis, Alberto Sciuto, A. La Magna
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Molecular dynamics simulations supporting the development of a continuum model of heat transport in nanowires
We establish a suitable methodology for Molecular Dynamics (MD) simulations to provide reliable data for the development of continuum model extensions of Fourier’s law, which reproduce effects arising from phonon confinement and interface scattering. This continuum approach for thermal transport is required for TCAD tools dedicated to nanoscaled electron device simulations.