Simulation of thermal conductivity and heat transport in solids
- 1 February 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 59 (6), 4125-4133
- https://doi.org/10.1103/physrevb.59.4125
Abstract
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 are considered.
Keywords
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