Molecular dynamics study on the thermal conductivity of a single polyethylene chain: Strain dependence and potential models’ effect

The thermal conductivity of a single polymer chain, which is an important factor in the rational design of polymer-based thermal management materials, is strongly affected by the strain state of the chain. In the present study, using non-equilibrium molecular dynamics simulations, the thermal conduc...

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Bibliographic Details
Main Authors: Tsuyoshi Ito, Hiroki Matsubara, Donatas Surblys, Taku Ohara
Format: Article
Language:English
Published: AIP Publishing LLC 2022-10-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0095975