论文标题

避免自我弹性柔性聚合物的构象和动力学

Conformation and dynamics of a self-avoiding active flexible polymer

论文作者

Anand, Shalabh K., Singh, Sunil P.

论文摘要

我们研究了聚合物的构象和动力学,考虑到其单体为活性布朗颗粒。这种活跃的聚合物显示出非常有趣的身体行为,这在活跃的隆起链中不存在。该链最初会用活跃的力收缩,这会随着进一步增加的力而开始肿胀。收缩后,肿胀之后纯粹归因于单体之间排除的体积相互作用。在肿胀制度中,链条显示了从自我避免行为到劳斯行为的交叉,以缩放指数$ν_a\ simeq 1/2 $,用于端到端距离。通过各种物理量,单体的径向分布功能,散射时间以及各种能量计算,分析了结构中的非单调性。该链的放松比中间力度的劳斯链更快,在大量主动力下放松时间的跨越,由power-law $τ_r\ sim pe^{ - 4/3} $给出(p e是péclet编号)。

We investigate conformations and dynamics of a polymer considering its monomers to be active Brownian particles. This active polymer shows very intriguing physical behavior which is absent in an active Rouse chain. The chain initially shrinks with active force, which starts swelling on further increase in force. The shrinkage followed by swelling is attributed purely to excluded-volume interactions among the monomers. In the swelling regime, chain shows a cross-over from the self-avoiding behavior to Rouse-behavior with scaling exponent $ν_a \simeq 1/2$ for end-to-end distance. The non-monotonicity in the structure is analysed through various physical quantities specifically, radial distribution function of monomers, scattering time, as well as various energy calculations. The chain relaxes faster than the Rouse chain in the intermediate force regime, with a cross-over in variation of relaxation time at large active force as given by a power-law $τ_r \sim Pe^{-4/3}$ (P e is Péclet number).

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