Freely Suspended Semiflexible Chains in a Strong Aligning Field: Simple Closed-Form Solutions for the Small-Angle Approximation
Freely Suspended Semiflexible Chains in a Strong Aligning Field: Simple Closed-Form Solutions for the Small-Angle Approximation
复制标题
强对准场中的自由悬挂半柔性链：小角度近似的简单闭式解决方案
DOI：
10.1002/mats.202000049
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发表时间：
2020
影响因子：
1.4
通讯作者：
Kloza P
中科院分区：
文献类型：
--
作者：
Kloza P
提出了具有任意耦合顺序对准场的单自由悬浮半柔性大分子的类蠕虫链模型。利用小角近似和金兹堡-朗道理论，导出了该模型在任意维强对准场条件下的精确闭解。得到了链取向角的平均余弦值、取向序参数和两点相关函数的表达式。作为推论，持久性长度被确认为链刚性行为的有效阈值。通过二维和三维蒙特卡罗仿真验证了理论结果。结果表明，当链场对准角θ > 20°时，小角近似的解在精确模型的模拟值之内。作为实际应用，研究结果应用于碳纳米管在对准电场中的应用。
A worm‐like chain model for a single, freely suspended semiflexible macromolecule with an aligning field of arbitrary coupling order is presented. Using a small‐angle approximation and Ginzburg–Landau theory, exact closed‐form solutions of the model are derived in the regime of a strong aligning field in arbitrary dimensions. Expressions for the mean cosine of the chain alignment angle, orientational order parameters, and the two‐point correlation function are found. As a corollary, the persistence length is confirmed as a valid threshold for rigid behavior of the chain. The theoretical results are validated with Monte Carlo simulations in two and three dimensions. It is shown that the solutions for the small‐angle approximation are withinof the simulated values for the exact model for chain‐field alignment angles θ ≲ 20°. As a practical application, the findings are applied to carbon nanotubes in an aligning electric field.