Kapitza thermal resistance in linear and nonlinear chain models: isotopic defect

TL;DR

This paper derives an exact solution for Kapitza resistance in linear chain models with isotopic defects, explores its dependence on chain length and parameters, and compares linear and nonlinear behaviors in heat transfer.

Contribution

It provides the first exact analytic expression for boundary resistance in linear chain models with defects and analyzes the effects of nonlinearity on thermal profiles.

Findings

Kapitza resistance is finite but not uniquely defined in linear chains with defects.

Heavy defects influence heat flux scaling similarly in linear and nonlinear chains.

Linear dynamics can predict short-time thermal behavior even in nonlinear chains at low temperatures.

Abstract

Kapitza resistance in the chain models with internal defects is considered. For the case of the linear chain, the exact analytic solution for the boundary resistance is derived for arbitrary linear time-independent conservative inclusion or defect. A simple case of isolated isotopic defects is explored in more detail. Contrary to the bulk conductivity in the linear chain, the Kapitza resistance is finite. However, the universal thermodynamic limit does not exist in this case. In other terms, the exact value of the resistance is not uniquely defined and depends on the way of approaching the infinite lengths of the chain fragments. For this reason, and also due to the explicit dependence on the parameters of the thermostats, the resistance cannot be considered as a local property of the defect. Asymptotic scaling behavior of the heat flux in the case of very heavy defect is explored and compared to the nonlinear counterparts; similarities in the scaling behavior are revealed. For the lightweight isotopic defect in the linear chain, one encounters a typical dip of the temperature profile, related to weak excitation of the localized mode in the attenuation zone. If the nonlinear interactions are included, this dip can still appear at a relatively short time scale, with subsequent elimination due to the nonlinear interactions. This observation implies that even in the nonlinear chains, the linear dynamics can predict the main features of the short-time evolution of the thermal profile if the temperature is low enough.