Technion - Israel Institute of Technology, Haifa, 32000, Israel.
Soft Matter. 2021 Apr 7;17(13):3634-3653. doi: 10.1039/d0sm02076a. Epub 2021 Jan 22.
Onsagers variational principle (OVP) was originally proposed by Lars Onsager in 1931 [L. Onsager, Phys. Rev., 1931, 37, 405]. This fundamental principle provides a very powerful tool for formulating thermodynamically consistent models. It can also be employed to find approximate solutions, especially in the study of soft matter dynamics. In this work, OVP is extended and applied to the dynamic modeling of active soft matter such as suspensions of bacteria and aggregates of animal cells. We first extend the general formulation of OVP to active matter dynamics where active forces are included as external non-conservative forces. We then use OVP to analyze the directional motion of individual active units: a molecular motor walking on a stiff biofilament and a toy two-sphere microswimmer. Next we use OVP to formulate a diffuse-interface model for an active polar droplet on a solid substrate. In addition to the generalized hydrodynamic equations for active polar fluids in the bulk region, we have also derived thermodynamically consistent boundary conditions. Finally, we consider the dynamics of a thin active polar droplet under the lubrication approximation. We use OVP to derive a generalized thin film equation and then employ OVP as an approximation tool to find the spreading laws for the thin active polar droplet. By incorporating the activity of biological systems into OVP, we develop a general approach to construct thermodynamically consistent models for better understanding the emergent behaviors of individual animal cells and cell aggregates or tissues.
昂萨格变分原理(OVP)最初由 Lars Onsager 于 1931 年提出[L. Onsager, Phys. Rev., 1931, 37, 405]。这个基本原理为构建热力学一致的模型提供了一个非常强大的工具。它也可以用于寻找近似解,特别是在软物质动力学的研究中。在这项工作中,OVP 被扩展并应用于活性软物质的动力学建模,例如细菌悬浮液和动物细胞聚集体。我们首先将 OVP 的一般公式扩展到包含活性力作为外部非保守力的活性物质动力学中。然后,我们使用 OVP 分析单个活性单元的定向运动:在刚性生物丝上行走的分子马达和玩具双球微游泳者。接下来,我们使用 OVP 为在固体基底上的活性极性液滴制定扩散界面模型。除了在体区域中用于活性极性流体的广义流体动力学方程外,我们还推导出了热力学一致的边界条件。最后,我们考虑了在润滑近似下的薄的活性极性液滴的动力学。我们使用 OVP 推导出广义的薄膜方程,然后使用 OVP 作为近似工具来找到薄的活性极性液滴的扩展规律。通过将生物系统的活性纳入 OVP,我们开发了一种构建热力学一致模型的通用方法,以更好地理解单个动物细胞和细胞聚集体或组织的涌现行为。