Heat conduction across molecular junctions between nanoparticles - Archive ouverte HAL
Article Dans Une Revue The Journal of Chemical Physics Année : 2011

Heat conduction across molecular junctions between nanoparticles

Résumé

We investigate the problem of heat conduction across a molecular junction connecting two nanoparticles, both in vacuum and in a liquid environment, using classical molecular dynamics simulations. In vacuum, the well-known result of a length independent conductance is recovered; its precise value, however, is found to depend sensitively on the overlap between the vibrational spectrum of the junction and the density of states of the nanoparticles that act as thermal contacts. In a liquid environment, the conductance is constant up to a crossover length, above which a standard Fourier regime is recovered.
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Dates et versions

hal-00596316 , version 1 (27-05-2011)

Identifiants

Citer

Samy Merabia, Jean-Louis Barrat, Laurent J. Lewis. Heat conduction across molecular junctions between nanoparticles. The Journal of Chemical Physics, 2011, 134, pp.234707. ⟨10.1063/1.3600667⟩. ⟨hal-00596316⟩
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