Nonequilibrium Molecular Dynamics Simulation of Electric Conduction

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Abstract

We propose a realistic model for electric conduction, and study transport phenomena by molecular dynamics simulation. We observe that the system reaches a nonequilibrium steady state in the presence of an external electric field. The electrical conductivity is almost independent of the impurity distribution and the system size, and there is no long-time tail. The fluctuation–dissipation theorem and the Kramers–Kronig relation hold at all frequencies. These results show that this model has normal transport properties.

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