Atomistic simulation of phonon heat transport across metallic vacuum nanogaps

Phonon transport across a vacuum gap

D. P. Sellan,1 E. S. Landry,2,3 K. Sasihithlu,4 A. Narayanaswamy,4 A. J. H. McGaughey,3,* and C. H. Amon1,3 1Department of Mechanical & Industrial Engineering, University of Toronto, Toronto, Ontario M5S 3G8, Canada 2United Technologies Research Center, East Hartford, Connecticut 06108, USA 3Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA 4D...

Simulation of phonon transport across a non-polar nanowire junction using an atomistic Green's function method

Ballistic-diffusive Phonon Heat Transport across Grain Boundaries

The propagation of a heat pulse in a single crystal and across grain boundaries (GBs) is simulated using a concurrent atomistic-continuum method furnished with a coherent phonon pulse model. With a heat pulse constructed based on a Bose-Einstein distribution of phonons, this work has reproduced the phenomenon of phonon focusing in single and polycrystalline materials. Simulation results provide...

Phonon Transport Across Mesoscopic Constrictions

Phonon transport across constrictions formed by a nanowire or a nanoparticle on a substrate is studied by a numerical solution of the gray Boltzmann transport equation (BTE) resolving the effects of two length scales that govern problems of practical importance. Predictions of total thermal resistance for wire/substrate and particle/substrate combinations are made for the entire range of Knudse...

A phonon heat bath approach for the atomistic and multiscale simulation of solids

We present a novel approach to numerical modelling of the crystalline solid as a heat bath. The approach allows bringing together a small and a large crystalline domain, and model accurately the resultant interface, using harmonic assumptions for the larger domain, which is excluded from the explicit model and viewed only as a hypothetic heat bath. Such an interface is non-reflective for the el...