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International Journal of Polymer Science
Volume 2014 (2014), Article ID 506793, 9 pages
http://dx.doi.org/10.1155/2014/506793
Research Article

Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation

1State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Dalian University of Technology, Dalian 116023, China
2Department of Engineering Mechanics, Dalian University of Technology, Dalian 116024, China

Received 7 March 2014; Accepted 16 July 2014; Published 5 August 2014

Academic Editor: Haojun Liang

Copyright © 2014 Junfeng Gu et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

We propose a molecular dynamics method with vibration excitation, named as VEMD, to investigate the vibration effect on chain folding for polymer molecule. The VEMD method is based on the introduction of periodic force, the amplitude and frequency of which can be adjusted, and the method was applied to the folding simulation of a polyethylene chain. Simulation results show that the vibration excitation significantly affects the folding of the polyethylene, and frequency and amplitude of the vibration excitation play key roles in VEMD. Different frequencies and amplitudes will determine how and to what extent does the vibration excitation affect the folding process of the polyethylene structure.