Helix-like structure formation of a semi-flexible chain confined in a cylinder channel

Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the detailed characteristic parameters and formation probability of these helix-like struc...

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Published inChinese physics B Vol. 25; no. 9; pp. 324 - 331
Main Author 温晓会 孙铁昱 张卫兵 林志恒 章林溪 臧华平
Format Journal Article
LanguageEnglish
Published 01.09.2016
Subjects
分子动力学
圆柱
柔性链
模拟方法
结构
聚合物链
螺旋状
通道
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ISSN1674-1056
2058-3834
DOI10.1088/1674-1056/25/9/093601

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Summary:Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the detailed characteristic parameters and formation probability of these helix-like structures under moderate conditions are investigated.We find that the structure is not a perfect helix,but a bundle of elliptical turns.In addition,we conduct a statistical analysis for the chain monomer distribution along the radial direction.This research contributes to our understanding of the microscopic conformation of polymer chains in confined environments filled with a solvent.
Bibliography:Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the detailed characteristic parameters and formation probability of these helix-like structures under moderate conditions are investigated.We find that the structure is not a perfect helix,but a bundle of elliptical turns.In addition,we conduct a statistical analysis for the chain monomer distribution along the radial direction.This research contributes to our understanding of the microscopic conformation of polymer chains in confined environments filled with a solvent.
Xiaohui Wen, Tieyu Sun, Wei-Bing Zhang, Chi-Hang Lam, Linxi Zhang, and Huaping Zang（ 1 Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, China 2Department of Applied Physics, The Hong Kong Polytechnic University, Hong Kong SAR, China 3 School of Physics and Electronic Sciences, Changsha University of Science and Technology, Changsha 410004, China 4Department of Physics, Zhejiang University, Hangzhou 310027, China 5 School of Physics and Engineering, Zhengzhou University, Zhengzhou 450002, China）
11-5639/O4
semi-flexible polymer cylinder channel solvent helix-like structure
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/25/9/093601