双亲化合物的 Ohta-Kawasaki 能量：渐近和相场模拟

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-09-13 DOI:10.1016/j.na.2024.113665

Qiang Du , James M. Scott , Zirui Xu

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引用次数: 0

摘要

我们研究了欧塔-川崎（Ohta-Kawasaki）能量退化情况下的最小值，其定义为周长与库仑非局部项之和。我们首先研究了径向对称的候选方案，这让我们对大质量极限下能量最小化的渐近行为有了深入了解。为了对分析上具有挑战性的问题进行数值研究，我们提出了一种相场重构方法，结果表明它能伽马收敛到原始的尖锐界面模型。我们的相场模拟和渐近结果表明，能量最小化器表现出类似于双亲化合物自组装的行为，包括脂质双层膜的形成。

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Ohta–Kawasaki energy for amphiphiles: Asymptotics and phase-field simulations

We study the minimizers of a degenerate case of the Ohta–Kawasaki energy, defined as the sum of the perimeter and a Coulombic nonlocal term. We start by investigating radially symmetric candidates which give us insights into the asymptotic behaviors of energy minimizers in the large mass limit. In order to numerically study the problems that are analytically challenging, we propose a phase-field reformulation which is shown to Gamma-converge to the original sharp interface model. Our phase-field simulations and asymptotic results suggest that the energy minimizers exhibit behaviors similar to the self-assembly of amphiphiles, including the formation of lipid bilayer membranes.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.