arXiv 2602.093012026-02cond-mat.soft

限制和剪切对最小病毒启发胶体粒子旋转扩散的影响

Confinement and shear effects on the rotational diffusion of a minimal virus-inspired colloidal particle

División de Ciencias e Ingenierías, Universidad de Guanajuato（瓜纳华托大学理学院与工程学院）

Karen Gonzales-Flores, Ramón Castañeda-Priego, Francisco Alarcón

备注：: Manuscript submitted for peer review

阅读 PDF

arXiv 页面 ↗HTML 原文 ↗

AI总结：

通过耗散粒子动力学模拟，研究振荡剪切流和受限空间对带有二聚体的刚性球体（模拟包膜病毒）旋转扩散的影响，发现旋转扩散系数受流动振幅强烈调制，而受刺突数量影响较弱。

摘要：

本文报道了在显式流体环境中，带有二聚体的刚性球体的旋转扩散。该模型作为带有包膜病毒（表面有刺突）的简化表示，浸没在粗粒化流体中。利用耗散粒子动力学，我们明确研究了流体动力学效应对这种病毒启发粒子在振荡剪切流和两个类固体表面之间受限时的旋转扩散的影响。由于旋转响应取决于施加的流动类型，我们首先表征了振荡剪切流，根据所谓的Péclet数$Pe$识别出不同的流动状态。我们的发现表明，在受限条件下，旋转扩散率受到振荡流动振幅的强烈调制，而受刺突数量的影响较弱，因为其效应主要由其二聚体结构和相关的有效尺寸决定。在高$Pe$下，旋转扩散系数$D_r$随刺突数量$N_s$增加而趋于减小，而在低$Pe$下，旋转扩散对刺突数量的依赖性变弱。然而，在中间$Pe$值下，振荡强迫与热涨落之间的相互作用阻止了$D_r$与$N_s$之间出现明确趋势。我们的结果清晰地展示了在受限环境中，流体流动与热涨落之间的相互作用如何影响带刺突粒子的旋转扩散，从而有助于解释流体条件如何改变刺突与其潜在靶标的对齐方式。

英文摘要：

The rotational diffusion of a rigid spherical body decorated with dimers in an explicit fluid environment is reported. This model acts as a simplified representation of an enveloped virus bearing peplomers immersed in a coarse-grained fluid. Using dissipative particle dynamics, we explicitly study the hydrodynamic effects on the rotational diffusion of this virus-inspired particle subjected to oscillatory shear flow and confined between two solid-like surfaces. Since the rotational response depends on the type of imposed flow, we first characterize the oscillatory shear, identifying distinct flow regimes in terms of the so-called Péclet number, $Pe$. Our findings indicate that, under confinement, the rotational diffusivity is strongly modulated by the oscillatory flow amplitude and only weakly affected by the number of peplomers, since their effect is mainly determined by their dimeric structure and associated effective size. For high $Pe$, the rotational diffusion coefficient, $D_{r}$, tends to decrease as the number of peplomers ($N_{s}$) increases, whereas at low $Pe$, rotational diffusion becomes weakly dependent on the number of peplomers. However, at intermediate values of $Pe$, the interplay between oscillatory forcing and thermal fluctuations prevents the emergence of a clear trend between $D_{r}$ and $N_{s}$. Our results provide a clear picture of how, in confined environments, the interplay between fluid flow and thermal fluctuations affects the rotational diffusion of spiked particles, thereby helping to explain how fluid conditions can modify the alignment of peplomers with their potential targets.

机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。

AI总结：

摘要：

英文摘要：

相关论文