在有结的碳纳米管中构造规则的阶梯螺旋

IF 4.6 2区物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY

Chinese Journal of Physics Pub Date : 2025-07-04 DOI:10.1016/j.cjph.2025.07.004

Rui Wang , Xueyin Yang , Yunfang Li , Xiaolin Zhao

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引用次数: 0

摘要

通过分子动力学模拟研究了不同直径的同轴单壁碳纳米管在一维聚（对）苯（PPP）聚合物链上通过结（J-CNTs）连接的约束。PPP链自发进入J-CNTs，并以J-CNTs为模板呈现阶梯螺旋结构。通过动力学过程、总势能（包括各能量分量）的变化和阶梯螺旋结构的构建，揭示了微观结构的演变、形成和驱动机理。此外，还深入研究了J-CNTs的直径和长度、PPP聚合物的长度和链数以及结数对螺旋插入和阶梯螺旋结构的影响。预期的结果为从聚合物链中设计纳米级规则阶梯螺旋并应用于纳米器件提供了新的策略。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Constructing regular stepped helices confined in carbon nanotubes with junctions

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Constructing regular stepped helices confined in carbon nanotubes with junctions

Molecular dynamics simulations have been performed to investigate the confinement of coaxial single-walled carbon nanotubes with different diameters connected by junctions (J-CNTs) on one-dimensional poly(para)phenylene (PPP) polymer chains. The PPP chains enter the J-CNTs spontaneously and display a stepped helical configuration taking J-CNTs as template. The dynamics process, the variation of the total potential energy including various energy components and the constructed stepped helix are studied to reveal the evolution of microstructure, formation and driving mechanism. Besides, the influence of diameter and length of J-CNTs, the length and chain number of PPP polymer, and the number of junctions on the helical insertion and the construction of stepped helices is deeper studied. The expected outcome provides novel strategies for designing nanoscale regular stepped helices from polymer chains and applied to nanodevices.

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来源期刊

Chinese Journal of Physics 物理-物理：综合

CiteScore

8.50

自引率

10.00%

发文量

361

审稿时长

44 days

期刊介绍： The Chinese Journal of Physics publishes important advances in various branches in physics, including statistical and biophysical physics, condensed matter physics, atomic/molecular physics, optics, particle physics and nuclear physics. The editors welcome manuscripts on: -General Physics: Statistical and Quantum Mechanics, etc.- Gravitation and Astrophysics- Elementary Particles and Fields- Nuclear Physics- Atomic, Molecular, and Optical Physics- Quantum Information and Quantum Computation- Fluid Dynamics, Nonlinear Dynamics, Chaos, and Complex Networks- Plasma and Beam Physics- Condensed Matter: Structure, etc.- Condensed Matter: Electronic Properties, etc.- Polymer, Soft Matter, Biological, and Interdisciplinary Physics. CJP publishes regular research papers, feature articles and review papers.