Suscripción a Biblioteca: Guest

ISSN Online: 2377-424X

ISBN Print: 978-1-56700-474-8

ISBN Online: 978-1-56700-473-1

International Heat Transfer Conference 16
August, 10-15, 2018, Beijing, China

THERMAL TRANSPORT IN SINGLE POLYMER CHAINS

Get access (open in a dialog) DOI: 10.1615/IHTC16.nmt.022175
pages 7153-7159

Sinopsis

Recent progresses have shown that polymers can have thermal conductivity as high as that in metals. Although highly thermal conductivity polymers are only available in the form of fibers and films, it is believed that highly conductivity bulk polymers will be realized one day in the future. Polymers are made from long polymer chains, and in the synthesis of highly conductivity polymers, one key technique is to align the polymer chains via mechanical stretching. Theoretically, the study of thermal transport in single polymer chains is key to understand the thermal conductivity of polymer fibers, films and bulk. In this paper, molecular dynamics and atomistic Green's function are applied to study the phonon transport in single polymer chains with various structural features. Polymer Consistent Force Field potential is used in our simulations. The thermal conductivity of polymer chains is calculated using non-equilibrium molecular dynamics simulation. Phonon transmission across polymer chains is obtained from atomistic Green's function approach. Results show that curvature has negligible effects on phonon scattering along the polymer chains, while kinks are the main scattering centers.