arXivDaily arXiv每日学术速递 周一至周五更新
北美退伍军人节(Veterans Day),12 日无更新
arXiv 2601.01469cond-mat.soft
收藏

关联与相变在生物和软物质凝聚体简单模型中的研究

Association and phase transitions in simple models for biological and soft matter condensates

Union College(联合学院);CSIC(西班牙国家研究委员会);Universidade de Santiago de Compostela(圣地亚哥-德孔波斯特拉大学)

Cecilia Bores, Antonio Diaz-Pozuelo, Enrique Lomba

AI总结:

研究通过分析粒子相互作用设计原则,揭示了自组装材料中簇结构和相变行为的调控机制。

摘要:

我们研究了一组设计原则,这些原则将粒子间相互作用的特定特征与二维自组装中的可预测的结构和动态结果联系起来,这是一个与软物质和生物凝聚体相关的框架。通过广泛地分子动力学模拟单组分和双组分系统,我们系统地分解了如何修改竞争性的短程吸引和长程排斥(SALR)势能(两者都是各向同性和各向异性)作为独立的控制参数。特别是,我们关注调整排斥势垒高度,用振荡成分装饰吸引井,以及改变粒子几何形状。我们证明这些修改决定了簇大小分布、簇内有序程度、簇的几何形状以及簇间结晶的倾向。一个关键发现是内部动态和全局动态的解耦:振荡井在簇内促进固态秩序,同时保持簇的液态移动性。此外,我们展示了如何在二元SALR混合物中不对称相互作用可以被设计成诱导凝聚体内部相分离。此外,我们观察到在各向异性模型中,短程相互作用来自吸引性斑点的存在,配比和斑点的几何分布对于控制自组装和簇形态至关重要,而长程排斥可以用来调节簇大小和多分散性。提取出的原则为工程自组装材料提供了一条因果路线,也为解释生物分子凝聚体的复杂相行为提供了一组基本物理概念。

英文摘要:

We investigate a set of design principles that link specific features of interparticle interactions to predictable structural and dynamic outcomes in two-dimensional self-assembly, a framework relevant to soft matter and biological condensates. Using extensive Molecular Dynamics simulations of single- and two-component systems, we systematically dissect how modifications to competing short-range attraction and long-range repulsion (SALR) potentials (both isotropic and anisotropic) serve as independent control parameters. In particular, we have focused on tuning the repulsive barrier height, decorating the attractive well with oscillatory components, and changing particle geometry. We demonstrate that these modifications dictate cluster size distributions, the degree of intra-cluster ordering, the geometry of the clusters, and the propensity for inter-cluster crystallization. A key finding is the decoupling of internal and global dynamics: oscillatory wells promote solid-like order within clusters while maintaining liquid-like cluster mobility. Furthermore, we show how asymmetric interactions in a binary SALR mixture can be designed to induce internal phase segregation within condensates. Complementing this, we observe that in anisotropic models in which the short rage component of the interaction stems from the presence of attractive patchy sites, stoichiometry and the geometric distribution of the patches are essential to control self-assembly and cluster morphology, whereas long-range repulsion can be used to tune cluster size and polydispersity. The extracted principles provide a causal road-map for engineering self-assembled materials and a set of basic physical concepts for interpreting the complex phase behavior of biomolecular condensates.

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。

↑