Different thermal conductance of the inter- and intra-chain interactions in a double-stranded molecular structure

TL;DR

This study uses molecular dynamics simulations to explore how intra- and inter-chain interactions differently affect thermal conductance in a double-stranded lattice, revealing contrasting effects based on interaction strength and nonlinearity.

Contribution

It demonstrates the distinct impacts of intra- and inter-chain interactions on thermal conductance in a double-stranded system modeled by a Frenkel-Kontorova lattice.

Findings

Intra-chain interaction enhances thermal conductance.

Inter-chain interaction's effect depends on nonlinearity strength.

Different thermal transport modes are involved.

Abstract

A double-stranded system, modeled by a Frenkel-Kontorova lattice, is studied through nonequilibrium molecular dynamics simulations. We have investigated the thermal conductance influenced by the intra-chain interaction as well as by the inter-chain interaction. It is found that the intra-chain interaction always enhance the thermal conductance. The inter-chain interaction, however, has a positive effect on the thermal conductance in the case of strong nonlinear potential, and has a negative effect on the thermal conductance in the case of weak nonlinear potential. This phenomenon can be explained by the transition of thermal transport mode and the phonon band shift of the particles. It is suggested that the inter-and intra-chain interactions present different thermal properties in double-stranded lattices.