Molecular Dynamics Simulations for Resolving Scaling Laws of Polyethylene Melts

Long-timescale molecular dynamics simulations were performed to estimate the actual physical nature of a united-atom model of polyethylene (PE). Several scaling laws for representative polymer properties are compared to theoretical predictions. Internal structure results indicate a clear departure f...

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Bibliographic Details
Main Authors: Kazuaki Z. Takahashi, Ryuto Nishimura, Kenji Yasuoka, Yuichi Masubuchi
Format: Article
Language:English
Published: MDPI AG 2017-01-01
Series:Polymers
Subjects:
Online Access:http://www.mdpi.com/2073-4360/9/1/24