A standard model of electric conduction for molecular dynamics simulation

We propose a simple microscopic model of electric conduction, and study transport phenomena using molecular dynamics simulation. We observe that nonequilibrium steady states are realized in the nonlinear response regime as well as in the linear response regime, and that the electric conductivity is well-defined. It is confirmed that the fluctuation–dissipation theorem and the Kramers–Kronig relation hold. Furthermore the long-time tail of current autocorrelation functions which is observed in systems without impurity and causes anomalous transport coefficient, is sufficiently suppressed. This model will provide a standard model to study a nonequilibrium statistical mechanics of particle transport.