中国物理B ›› 2016, Vol. 25 ›› Issue (9): 93601-093601.doi: 10.1088/1674-1056/25/9/093601

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

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

Xiaohui Wen(温晓会), Tieyu Sun(孙铁昱), Wei-Bing Zhang(张卫兵), Chi-Hang Lam(林志恒), Linxi Zhang(章林溪), Huaping Zang(臧华平)   

  1. 1. Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, China;
    2. Department 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;
    4. Department of Physics, Zhejiang University, Hangzhou 310027, China;
    5. School of Physics and Engineering, Zhengzhou University, Zhengzhou 450002, China
  • 收稿日期:2016-02-21 修回日期:2016-04-25 出版日期:2016-09-05 发布日期:2016-09-05
  • 通讯作者: Xiaohui Wen E-mail:wenxiaohui_2006@126.com
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11504033 and 11404290) and the General Research Fund of Hong Kong Research Council of China (Grant No. 15301014).

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

Xiaohui Wen(温晓会)1,2, Tieyu Sun(孙铁昱)2, Wei-Bing Zhang(张卫兵)3, Chi-Hang Lam(林志恒)2, Linxi Zhang(章林溪)4, Huaping Zang(臧华平)5   

  1. 1. Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, China;
    2. Department 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;
    4. Department of Physics, Zhejiang University, Hangzhou 310027, China;
    5. School of Physics and Engineering, Zhengzhou University, Zhengzhou 450002, China
  • Received:2016-02-21 Revised:2016-04-25 Online:2016-09-05 Published:2016-09-05
  • Contact: Xiaohui Wen E-mail:wenxiaohui_2006@126.com
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11504033 and 11404290) and the General Research Fund of Hong Kong Research Council of China (Grant No. 15301014).

摘要:

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.

关键词: semi-flexible polymer, cylinder channel, solvent, helix-like structure

Abstract:

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.

Key words: semi-flexible polymer, cylinder channel, solvent, helix-like structure

中图分类号:  (Conformation (statistics and dynamics))

  • 36.20.Ey
87.15.A- (Theory, modeling, and computer simulation) 87.15.ap (Molecular dynamics simulation) 02.50.-r (Probability theory, stochastic processes, and statistics)