2022/08/02 by Levi C. Felix, Felix, Levi C., Alexandre F. Fonseca +3
Materials Science · #Diamond and Carbon-based Materials Research #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Thermal properties of materials
paper · pdf · doi:10.48550/arxiv.2208.01751
openalex publication_date 2022/08/02 · openalex created_date 2022/10/06 · openalex updated_date 2026/07/28
In this work, we investigated the effect of knots in the thermal transport of graphene nanoribbons through non-equilibrium molecular dynamics simulations. We considered the cases of one, two, and three knots are present. Temperature jumps appear in the temperature profile where the knots are located, which indicates that they introduce thermal resistances in the system, similar to interfacial Kapitza resistance present between two different materials and/or single materials with defects and/or lattice distortions. We found that the thermal resistance introduced by each individual knot is essentially the same as the overall resistance increase linearly with the number of knots, as they behave as thermal resistances associated in series. Also, the relative position between each knot in the arrangement does not strongly affect the thermal current produced by the temperature gradient, showing a weak thermal rectification effect.