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arXiv 2504.02474cond-mat.soft
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有限配位凝胶中的刚性 m-渗流

Rigid m-percolation in limited-valence gels

J. C. Neves, J. M. Tavares, N. A. M. Araújo, C. S. Dias

AI总结:

本研究通过将凝胶刚性的出现与 m=3 的 m-渗流转变关联,利用平均场理论与数值模拟构建了单组分及二元混合斑块粒子系统的相图和刚性图,揭示了连通性与刚性渗流阈值的差异随配位减小,并发现二元混合物存在最小平均配位阈值。

摘要:

确定凝胶刚性的起始是一个基本挑战,对不同应用具有重要的实际意义。有限配位(或称斑块粒子)系统已被证明是研究微观相互作用与宏观力学性质之间关系的宝贵模型。已有观点认为,刚性的出现与具有至少三个键的粒子的无限跨越团簇的形成相一致。本研究通过将刚性的出现与 m=3 时的 m-渗流转变相关联,探讨了这一假设、其含义及其在一系列系统参数下的更广泛适用性。利用平均场理论方法发展了 m-渗流的性质,并通过数值模拟进行了验证,进而为单组分系统及斑块粒子二元混合物的不同粒子配位构建了相图和刚性图。研究发现,连通性与刚性渗流阈值之间的差异随配位的增加而减小,这解释了实验中区分各向同性连通性渗流与刚性起始所面临的挑战。对于二元混合物,我们发现了一个稳健的最小平均配位,低于此值凝胶永远不会刚性。

英文摘要:

Determining the onset of rigidity in gels is a fundamental challenge with significant practical implications across different applications. Limited-valence, or patchy-particle systems have proven to be a valuable model to study the relationship between microscopic interactions and macroscopic mechanical properties. It has been suggested that the emergence of rigidity coincides with the formation of an infinitely spanning cluster of particles with at least three bonds. This work explores this hypothesis, its implications, and its broader applicability across a range of system parameters, by associating the emergence of rigidity with m-percolation transition for m=3. The properties of m-percolation are developed using a mean-field theoretical approach validated with numerical simulations, and used to build phase and rigidity diagrams for different particle valences of both single-component systems and binary mixtures of patchy particles. The difference between connectivity and rigidity percolation thresholds is found to reduce with increasing valence, providing an explanation for the challenges encountered in experimental attempts to distinguish isotropic connectivity percolation from the onset of rigidity. For binary mixtures, we found a robust minimum average valence, below which the gel is never rigid.

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