Computer Simulation of Conduction and Propagation of Phonons

Abstract

Simulations based on the molecular dynamics method have been applied to the transport of a wave packet (acoustic phonons) and a random packet (thermal phonons) along one-dimensional homogeneous and layer-stacked mass-spring chains. Propagation of acoustic phonons (sound) and thermal phonons (heat pulse) accompanying the phonon dispersion can be seen in the homogeneous chain. In the stacked chain, localized phonons within a layer exist together with travelling phonons. The former gradually diffuse out from the layer as time elapses, and the latter propagate with the speed of sound.