引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 1390次   下载 1279 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Translocation of Polymer Chains Through a Channel with Complex Geometries
Zhi-yong Yang,Lin-xi Zhang*,Jun Cheng
Author NameAffiliationE-mail
Zhi-yong Yang Department of Physics, Wenzhou University, Wenzhou, 325027, China  
Lin-xi Zhang* Department of Physics, Wenzhou University, Wenzhou, 325027, China lxzhang@zju.edu.cn 
Jun Cheng Department of Physics, Wenzhou University, Wenzhou, 325027, China  
Abstract:
The elastic behavior of a single chain transporting through complex channel which can be seen as the combination of three different channels (left channel, middle channel, and right channel, respectively) is investigated using the new pruned-enriched Rosenbluth method with importance sampling. The elastic force during the translocation process is calculated. At the entrance into the middle channel, there is the first plateau in the curve of the elastic force f(f>0) versus x, here x represents the position of the first monomer along the x-axis direction. When the first monomer moves to a certain position, a second plateau is observedwith the elastic force f<0, which represents spontaneous translocation. The free energy difference between the subchain in the right channel and the subchain in the left channel may drive the translocation. The influence of chain length and width of the left and right channels on the translocation process are also investigated. From the simulation results, more detailed explanations for the reason why the componenttranslocation time is not the same for different channels can be presented.
Key words:  Elastic behavior, nPERMis, Polymer translocation
FundProject:
Translocation of Polymer Chains Through a Channel with Complex Geometries
杨志勇,章林溪*,成军
摘要:
采用nPERMis (new pruned-enriched rosenbluth method with importance sampling) 算法,研究了高分子链在通道中穿行的力学行为. 在管道穿行的过程中,计算了其作用力,发现进入中间通道的过程其对应的作用力f和第一个单体在x轴方向的位置关系曲线有一个平台(f>0). 由于高分子链的受限减少了高分子链的构象数目和熵,从而增加了其自由能, 因此只有在外力的作用下,高分子链才可以进入中间管道. 当高分子运动到某一位置后,第二个平台开始形成(f<0),这时高分子链自发进入右通道. 这是因为在右通道中高分子链的自由能降低的比左通道中高分子链的自由能升高的快. 右通道中的高分子链自发地拉动左通道中的高分子链. 研究了链长、左、右通道宽度对穿孔有很大影响. 通过这些研究可以详细解释各部分穿行时间不同的原因.
关键词:  力学行为,nPERMis算法,高分子穿孔
DOI:10.1088/1674-0068/21/06/555-559
分类号: