One-dimensional Kapitza conductance: Comparison of the phonon mismatch theory with computer experiments

Abstract

We present the analog of the Khalatnikov theory for the Kapitza conductance $h_{\kappa }$ at the boundary between two dissimilar classical one-dimensional harmonic chains of atoms. We then perform steady-state molecular-dynamics computer experiments to determine $h_{\kappa }$ directly. The phonon mismatch theory gives only order-of-magnitude agreement with the computer experiments. Preliminary calculations indicate that anharmonicity increases the Kapitza conductance.