Title of Paper:Thermal conductivity of cross-linked polyethylene from molecular dynamics simulation

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Date of Publication:2017-07-21

Journal:JOURNAL OF APPLIED PHYSICS

Included Journals:SCIE、EI、Scopus

Volume:122

Issue:3

ISSN No.:0021-8979

Abstract:The thermal conductivity of cross-linked bulk polyethylene is studied using molecular dynamics simulation. The atomic structure of the cross-linked polyethylene (PEX) is generated through simulated bond formation using LAMMPS. The thermal conductivity of PEX is studied with different degrees of crosslinking, chain length, and tensile strain. Generally, the thermal conductivity increases with the increasing degree of crosslinking. When the length of the primitive chain increases, the thermal conductivity increases linearly. When the polymer is stretched along one direction, the thermal conductivity increases in the stretched direction and decreases in the direction perpendicular to it. However, the thermal conductivity varies slightly when the polymer is stretched in three directions simultaneously. Published by AIP Publishing.