Turing patterns on polymerized membranes: coarse-grained lattice modelling with an internal degree of freedom for polymer direction†

IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Soft Matter Pub Date : 2025-02-13 DOI:10.1039/D4SM01309C
Fumitake Kato, Hiroshi Koibuchi, Elie Bretin, Camille Carvalho, Roland Denis, Simon Masnou, Madoka Nakayama, Sohei Tasaki and Tetsuya Uchimoto
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Abstract

We numerically study Turing patterns (TPs) on two-dimensional surfaces with a square boundary in R3 using a surface model for polymerized membranes. The variables used to describe the membranes correspond to two distinct degrees of freedom: an internal degree of freedom for the polymer directions in addition to the positional degree of freedom. This generalised surface model enables us to identify non-trivial interference between the TP system and the membranes. To this end, we employ a hybrid numerical technique, utilising Monte Carlo updates for membrane configurations and discrete time iterations for the FitzHugh–Nagumo type Turing equation. The simulation results clearly show that anisotropies in the mechanical deformation properties, particularly the easy axes associated with the stretching and bending of the membranes, determine the direction of the TPs to be perpendicular or parallel to the easy axes. Additionally, by calculating the dependence of the maximum entropy on the internal degree of freedom, we can obtain information on the relaxation with respect to the polymer structure. This crucial information serves to remind us that non-equilibrium configurations can be captured within the canonical Monte Carlo simulations.

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聚合膜上的图灵图案:具有聚合物方向内部自由度的粗粒度晶格模型。
我们使用聚合膜的表面模型在R3中具有方形边界的二维表面上数值研究图灵模式(TPs)。用于描述膜的变量对应于两个不同的自由度:聚合物方向的内部自由度以及位置自由度。这种广义的表面模型使我们能够识别TP系统和膜之间的非微不足道的干扰。为此,我们采用了一种混合数值技术,利用蒙特卡罗更新膜结构和FitzHugh-Nagumo型图灵方程的离散时间迭代。模拟结果清楚地表明,力学变形特性的各向异性,特别是与薄膜拉伸和弯曲相关的易轴,决定了TPs垂直或平行于易轴的方向。此外,通过计算最大熵对内部自由度的依赖关系,我们可以获得有关聚合物结构的弛豫信息。这一关键信息提醒我们,非平衡构型可以在规范的蒙特卡罗模拟中捕获。
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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Soft Matter is an international journal published by the Royal Society of Chemistry using Engineering-Materials Science: A Synthesis as its research focus. It publishes original research articles, review articles, and synthesis articles related to this field, reporting the latest discoveries in the relevant theoretical, practical, and applied disciplines in a timely manner, and aims to promote the rapid exchange of scientific information in this subject area. The journal is an open access journal. The journal is an open access journal and has not been placed on the alert list in the last three years.
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