Simulation of thermal conductivity and heat transport in solids

Details Simulation of thermal conductivity and heat transport in solids Simulation of thermal conductivity and heat transport in solids

1998-11-11

arxiv.org/abs/cond-mat/9811156v1

Physics

Condensed Matter

Materials Science

Revtex, 8 pages, 11 postscript figures, accepted for publication in PRB

Scientific paper

10.1103/PhysRevB.59.4125

Using molecular dynamics (MD) with classical interaction potentials we present calculations of thermal conductivity and heat transport in crystals and glasses. Inducing shock waves and heat pulses into the systems we study the spreading of energy and temperature over the configurations. Phonon decay is investigated by exciting single modes in the structures and monitoring the time evolution of the amplitude using MD in a microcanonical ensemble. As examples, crystalline and amorphous modifications of Selenium and $\rm{SiO_2}$ are considered.

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