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活性Ornstein-Uhlenbeck聚合物的活性自洽场理论

Active Self-Consistent Field Theory for Ornstein-Uhlenbeck Polymers

Yuliang Huang, Chun-Lai Ren, Qiyun Tang

arXiv 2609.28124首次发表:更新:

发表机构

Southeast University; Nanjing University(东南大学; 南京大学)

机构由 AI 辅助整理,请以论文原文为准。

AI 中文总结

本文提出活性自洽场理论(ASCFT),通过有效哈密顿量和自由能泛函统一描述热力学与活性效应,模拟发现活性抑制微相分离且振幅按τ^{-1/2}衰减,为活性聚合物非平衡形态预测提供新工具。

AI 中文摘要

我们发展了一种活性自洽场理论(ASCFT),用于研究活性Ornstein-Uhlenbeck聚合物的稳态行为。从统一有色噪声近似下的随机运动方程出发,我们推导出一个有效哈密顿量,将经典聚合物场理论扩展到非平衡系统。所得自由能泛函同时包含Flory-Huggins相互作用参数$χN$和活性噪声的持久时间$τ$,从而能够统一描述热力学效应和活性驱动效应。为了求解控制方程,我们实现了一种稳定的隐式-显式数值格式,以处理由活性引起的四阶项。我们的模拟表明,增加活性会抑制微相分离,密度调制振幅在大$τ$时按$Δϕ\propto τ^{-1/2}$衰减。这一标度关系与共聚物组成无关,并通过在大$τ$极限下对自由能泛函的渐近分析得到证实。ASCFT框架为预测和设计活性聚合物体系的非平衡形态提供了新的理论工具,弥合了传统自洽场理论与活性物质物理学之间的鸿沟。

英文摘要

We develop an active self-consistent field theory (ASCFT) for studying the steady-state behavior of active Ornstein--Uhlenbeck polymers. Starting from the stochastic equations of motion under the unified colored noise approximation, we derive an effective Hamiltonian that extends the classical polymer field theory to non-equilibrium systems. The resulting free energy functional incorporates both the Flory--Huggins interaction parameter $χN$ and the persistence time $τ$ of the active noise, enabling a unified description of thermodynamic and activity-driven effects. To solve the governing equations, we implement a stable implicit-explicit numerical scheme that handles the fourth-order term induced by activity. Our simulations reveal that increasing activity suppresses microphase separation, with the density modulation amplitude decaying as $Δϕ\propto τ^{-1/2}$ for large $τ$. This scaling is independent of copolymer composition and is confirmed by an asymptotic analysis of the free energy functional in the large-$τ$ limit. The ASCFT framework provides a new theoretical tool for predicting and designing the non-equilibrium morphologies of active polymer systems, bridging the gap between traditional self-consistent field theory and active matter physics.

论文原文

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