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

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...

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Main Authors:	Junfeng Gu, Xue Wang, Jinying Wu, Xicheng Wang
Format:	Article
Language:	English
Published:	Hindawi Limited 2014-01-01
Series:	International Journal of Polymer Science
Online Access:	http://dx.doi.org/10.1155/2014/506793

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record_format	Article
spelling	doaj-46b69ea271af46e7869cbb8356c079c32020-11-24T21:13:25ZengHindawi LimitedInternational Journal of Polymer Science1687-94221687-94302014-01-01201410.1155/2014/506793506793Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration ExcitationJunfeng Gu0Xue Wang1Jinying Wu2Xicheng Wang3State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Dalian University of Technology, Dalian 116023, ChinaState Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Dalian University of Technology, Dalian 116023, ChinaState Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Dalian University of Technology, Dalian 116023, ChinaState Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Dalian University of Technology, Dalian 116023, ChinaWe 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.http://dx.doi.org/10.1155/2014/506793
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Junfeng Gu Xue Wang Jinying Wu Xicheng Wang
spellingShingle	Junfeng Gu Xue Wang Jinying Wu Xicheng Wang Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation International Journal of Polymer Science
author_facet	Junfeng Gu Xue Wang Jinying Wu Xicheng Wang
author_sort	Junfeng Gu
title	Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation
title_short	Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation
title_full	Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation
title_fullStr	Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation
title_full_unstemmed	Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation
title_sort	molecular dynamics simulation of chain folding for polyethylene subjected to vibration excitation
publisher	Hindawi Limited
series	International Journal of Polymer Science
issn	1687-9422 1687-9430
publishDate	2014-01-01
description	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.
url	http://dx.doi.org/10.1155/2014/506793
work_keys_str_mv	AT junfenggu moleculardynamicssimulationofchainfoldingforpolyethylenesubjectedtovibrationexcitation AT xuewang moleculardynamicssimulationofchainfoldingforpolyethylenesubjectedtovibrationexcitation AT jinyingwu moleculardynamicssimulationofchainfoldingforpolyethylenesubjectedtovibrationexcitation AT xichengwang moleculardynamicssimulationofchainfoldingforpolyethylenesubjectedtovibrationexcitation
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Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation

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