Soft Matter最新文献_第3页

Long-range order in two-dimensional systems with fluctuating active stresses. 具有波动主动应力的二维系统的长程阶。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-25 DOI: 10.1039/d5sm00208g

Yann-Edwin Keta, Silke Henkes

{"title":"Long-range order in two-dimensional systems with fluctuating active stresses.","authors":"Yann-Edwin Keta, Silke Henkes","doi":"10.1039/d5sm00208g","DOIUrl":"https://doi.org/10.1039/d5sm00208g","url":null,"abstract":"In two-dimensional tissues, such as developing germ layers, pair-wise forces (or active stresses) arise from the contractile activity of the cytoskeleton, with dissipation provided by the three-dimensional surroundings. We show analytically how these pair-wise stochastic forces, unlike the particle-wise independent fluctuating forces usually considered in active matter systems, produce conserved centre-of-mass dynamics and so are able to damp large-wavelength displacement fluctuations in elastic systems. A consequence of this is the stabilisation of long-range translational order in two dimensions, in clear violation of the celebrated Mermin-Wagner theorem, and the emergence of hyperuniformity with a structure factor S(q) ∼ q2 in the q → 0 limit. We then introduce two numerical cell tissue models which feature these pair-wise active forces. First a vertex model, in which the cell tissue is represented by a tiling of polygons where the edges represent cell junctions and with activity provided by stochastic junctional contractions. Second an active disk model, derived from active Brownian particles, but with pairs of equal and opposite stochastic forces between particles. We study the melting transition of these models and find a first-order phase transition between an ordered and a disordered phase in the disk model with active stresses. We confirm our analytical prediction of long-range order in both numerical models and show that hyperuniformity survives in the disordered phase, thus constituting a hidden order in our model tissue. Owing to the generality of this mechanism, we expect our results to be testable in living organisms, and to also apply to artificial systems with the same symmetry.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144482628","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Hacktive matter: data-driven discovery through hackathon-based cross-disciplinary coding. 黑客问题：通过基于黑客马拉松的跨学科编码进行数据驱动的发现。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-25 DOI: 10.1039/d5sm00401b

Megan T Valentine, Rae M Robertson-Anderson

{"title":"Hacktive matter: data-driven discovery through hackathon-based cross-disciplinary coding.","authors":"Megan T Valentine, Rae M Robertson-Anderson","doi":"10.1039/d5sm00401b","DOIUrl":"https://doi.org/10.1039/d5sm00401b","url":null,"abstract":"The past decade has seen unprecedented growth in active matter and autonomous biomaterials research, yielding diverse classes of materials capable of flowing, contracting, bundling, de-mixing, and coalescing. These innovations promise revolutionary applications such as self-healing infrastructure, dynamic prosthetics, and self-sensing tissue implants. However, inconsistencies in metrics, definitions, and analysis algorithms across research groups, as well as the high-dimensionality of experimental data streams, has hindered the identification of performance intersections among such dynamic systems. Progress in this arena demands multi-disciplinary team approaches to discovery, with scaffolded training and cross-pollination of ideas, and requires new methods for learning and collaboration. To address this challenge, we have developed a hackathon platform to train future scientists and engineers in 'big data', interdisciplinary collaboration, and community coding; and to design and beta-test high-throughput (HTP) biomaterials analysis software and workflows. We enforce a flat hierarchy, pairing participants ranging from high school students to faculty with varied experiences and skills to collectively contribute to data acquisition and processing, ideation, coding, testing and dissemination. With clearly-defined goals and deliverables, participants achieve success through a series of tutorials, small group coding sessions, facilitated breakouts, and large group report-outs and discussions. These modules facilitate efficient iterative algorithm development and optimization; strengthen community and collaboration skills; and establish teams, benchmarks, and community standards for continued productive work. Our hackathons provide a powerful model for the soft matter community to educate and train students and collaborators in cutting edge data-driven analysis, which is critical for future innovation in complex materials research.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144482627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Topology effects on associative polymers. 结合聚合物的拓扑效应。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-24 DOI: 10.1039/d5sm00368g

John M Bracewell, Rosita Sivaraj, Dvora Perahia, Gary S Grest

{"title":"Topology effects on associative polymers.","authors":"John M Bracewell, Rosita Sivaraj, Dvora Perahia, Gary S Grest","doi":"10.1039/d5sm00368g","DOIUrl":"https://doi.org/10.1039/d5sm00368g","url":null,"abstract":"Tailoring the topology of associative polymers offers a means to control macromolecular responses that in turn enables the design of new responsive soft materials. The current study probes the conformation and response of ring associative polymers in comparison with their entangled linear analogues using molecular dynamics simulations of a coarse-grained bead-spring model. The uniqueness of ring polymers lies in their topology where the chains have no free ends, resulting in considerably faster dynamics compared to their linear analogs, whereas the associative groups drive assembly that constrains the polymer motion. Here, polymers consisting of randomly distributed associative groups, with a fraction f = 0.02 to 0.1 and interaction strength varying from 2 to 8kBT, were studied. We find that with increasing f and association strength, larger clusters of associative groups are formed, where their size and dynamics are strongly affected by chain topology. While the associative groups do not impact the chain conformation, they slow stress relaxation, with a distinctively stronger effect on the linear chains. This is attributed to the lower number of unique chains associated with clusters of the same size in ring melts compared with linear ones. Overall, the coupling of associating groups with entanglements results in slower stress relaxation, where the distinctive topologies affect the association of the chains.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Evolution of the structure in a soft binary colloidal mixture during thermodynamic processes of cooling and heating. 软二元胶体混合物在冷却和加热热力学过程中的结构演变。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-24 DOI: 10.1039/d5sm00259a

Marco A Ramírez-Guízar, Néstor M De Los Santos-López, Gabriel Pérez-Ángel, José M Méndez-Alcaraz, Ramón Castañeda-Priego

{"title":"Evolution of the structure in a soft binary colloidal mixture during thermodynamic processes of cooling and heating.","authors":"Marco A Ramírez-Guízar, Néstor M De Los Santos-López, Gabriel Pérez-Ángel, José M Méndez-Alcaraz, Ramón Castañeda-Priego","doi":"10.1039/d5sm00259a","DOIUrl":"https://doi.org/10.1039/d5sm00259a","url":null,"abstract":"The study of the structural evolution of a material under equilibrium or nonequilibrium thermodynamic conditions is fundamental for understanding its stability and predicting its phase behavior. To the best of our knowledge, the structural transformations induced by different temperature protocols have not been fully understood. This study provides a detailed molecular resolution of the structural evolution occurring in a bidisperse colloidal mixture of soft spheres, as it is subjected to a sequence of controlled thermodynamic processes of heating and cooling. The structural transformations are studied between two equilibrium configurations at different temperatures through extensive molecular dynamics simulations. By exploring the interplay of multiple length and time scales, we uncover how these protocols influence the progression of the colloidal suspension toward thermodynamic equilibrium. Our results show that under fast temperature changes, heating and cooling processes follow distinct thermodynamic pathways toward the corresponding equilibrium configuration because of the emergence of different structural mechanisms, which are discussed here in detail; these distinct pathways are defined as thermodynamic asymmetries that depend strongly on the temperature protocol and the composition of the dispersion. In contrast, for sufficiently slow temperature changes, we identify the condition under which both protocols follow symmetric and reversible pathways.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Progressive colloidal clogging mechanism by dendritic build-up in porous media. 枝晶在多孔介质中形成的渐进式胶体堵塞机制。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-23 DOI: 10.1039/d5sm00285k

Walid Okaybi, Sophie Roman, Cyprien Soulaine

{"title":"Progressive colloidal clogging mechanism by dendritic build-up in porous media.","authors":"Walid Okaybi, Sophie Roman, Cyprien Soulaine","doi":"10.1039/d5sm00285k","DOIUrl":"https://doi.org/10.1039/d5sm00285k","url":null,"abstract":"Colloidal transport in porous media governs deposition and clogging mechanisms that critically influence flow behavior and impact the efficiency of both natural and industrial systems. However, the role of dendritic structures, a distinct deposition morphology, in this process remains unclear. Understanding the formation and growth of dendrites is essential for advancing clogging dynamics and assessing their impact on permeability. To address this, we perform microfluidic flow experiments and computational fluid analysis to observe and characterize dendrite formation in a heterogeneous tortuous porous domain. Our results reveal a novel clogging mechanism - dendrite clogging - where a single deposition site initiates a structure that extends across the pore space, bridging grains and causing complete clogging. Unlike previously described aggregation-based clogging, which involves multiple deposition sites, dendrite clogging evolves from a single-site deposition. We establish a flow-dependent criterion for dendrite formation by combining hydrodynamic-adhesive torque balance analysis with experimental deposition patterns. Our findings show that dendrites form when front cone stagnation regions are large enough to accommodate multilayer deposition. Moderate flow rates promote dendrite growth, leading to abrupt permeability loss. In contrast, higher flow rates suppress dendrite formation, resulting in a more gradual decline, as captured by the Verma-Pruess permeability-porosity model. Our results provide a predictive model for flow-induced colloidal deposition, with implications for improving filtration systems, groundwater flow, and biomedical microfluidics. Insights into dendrite-driven clogging could lead to methods for reducing clogging in porous systems and optimizing flow performance in diverse applications.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solvent-induced ion clusters generate long-ranged double-layer forces at high ionic strengths. 溶剂诱导的离子团簇在高离子强度下产生长距离的双层力。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-23 DOI: 10.1039/d5sm00027k

David Ribar, Clifford E Woodward, Jan Forsman

{"title":"Solvent-induced ion clusters generate long-ranged double-layer forces at high ionic strengths.","authors":"David Ribar, Clifford E Woodward, Jan Forsman","doi":"10.1039/d5sm00027k","DOIUrl":"https://doi.org/10.1039/d5sm00027k","url":null,"abstract":"Recent experimental results by the surface force apparatus (SFA) have identified a dramatic deviation from previously established theories of simple electrolytes. This deviation, referred to as anomalous underscreening, suggests that the range of electrostatic interactions increase upon a further addition of salt, beyond some threshold concentration (usually about 1 M). In this theoretical work, we explore an extension of the restricted primitive model (RPM) wherein a short-ranged pair potential of mean force (sPMF) is added to the usual Coulombic interactions so as to mimic changes of the hydration as two ions approach one another. The strength of this potential is adjusted so that the modified RPM saturates at a realistic concentration level (within a range 4-7 M, typical to aqueous 1 : 1 salts). We utilise grand canonical simulations to establish surface forces predicted by the model and compare them directly with SFA data. We explore different sPMF models, which in all cases display significant clustering at concentrations above about 1 M. In these models, we find significant double-layer repulsion at separations that significantly exceed those expected from standard RPM predictions. We do not, however, observe an increase of the screening length with salt concentration, but rather that this screening length seemingly saturates at a (rather high) value. The simulated long-ranged interactions are shown to correlate with ion cluster formation, implicating the important role of accompanying cluster-cluster interactions. In particular, steric interactions between clusters (manifested in density-density correlations) are quite relevant in these systems.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigating glass transition in a PA6T/66 copolymer through molecular dynamics simulations. 通过分子动力学模拟研究PA6T/66共聚物的玻璃化转变。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-23 DOI: 10.1039/d5sm00165j

Lele Wei, Liping Zhu, Jin Wen, Meifang Zhu

{"title":"Investigating glass transition in a PA6T/66 copolymer through molecular dynamics simulations.","authors":"Lele Wei, Liping Zhu, Jin Wen, Meifang Zhu","doi":"10.1039/d5sm00165j","DOIUrl":"https://doi.org/10.1039/d5sm00165j","url":null,"abstract":"Tailoring copolymer composition is a key strategy for enhancing the thermal and mechanical performance of semi-aromatic polyamides. In this work, we investigate the thermal behavior of poly(hexamethylene terephthalamide-co-hexamethylene adipamide) (PA6T/66) copolymers by probing their glass transition temperature (Tg), a critical parameter governing material stability. Classical molecular dynamics simulations reveal Tg trends across PA6T/66 systems with varying molar ratios of poly(terephthaloyl hexylenediamine) (PA6T), in alignment with experimental data obtained from temperature-dependent density analysis. Increasing PA6T content promotes interchain hydrogen bond (HB) formation, which enhances thermal stability by restricting segmental mobility. However, beyond 55% PA6T content, Tg decreases due to steric hindrance from stacked benzene rings and a shift in the interchain/intrachain HB equilibrium, which disrupts cohesive interactions. These findings reveal the thermal properties at the atomic scale by which PA6T content modulates Tg, providing a molecular-level understanding that offers valuable guidelines for designing PA6T/66 copolymers with enhanced thermal performance.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preparation of polydopamine nanoparticles/polyurethane composites for self-targeted transfer of hydration lubrication films underwater. 聚多巴胺纳米颗粒/聚氨酯复合材料在水下自定向转移水化润滑膜的制备

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-23 DOI: 10.1039/d5sm00130g

Chaobao Wang, Yuyang Xi, Xinqi Zou, Xiuqin Bai, Jiale Chen, Binlu Zhang

引用次数: 0

Unravelling the self-assembly of a novel cationic pseudo-gemini surfactant and its monomeric counterpart: interactions with DNA and BSA in aqueous medium at neutral pH. 揭开一种新型阳离子伪gemini表面活性剂及其单体对应物的自组装：在中性pH水溶液中与DNA和牛血清白蛋白的相互作用。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-20 DOI: 10.1039/d5sm00075k

Homen Dahal, Sachin Soren, Shashi Kumar, Joykrishna Dey

{"title":"Unravelling the self-assembly of a novel cationic pseudo-gemini surfactant and its monomeric counterpart: interactions with DNA and BSA in aqueous medium at neutral pH.","authors":"Homen Dahal, Sachin Soren, Shashi Kumar, Joykrishna Dey","doi":"10.1039/d5sm00075k","DOIUrl":"10.1039/d5sm00075k","url":null,"abstract":"The demand for sustainable, efficient, and easily tunable cationic surfactants is growing rapidly due to their pivotal role in gene therapy, drug delivery, and biotechnology. However, conventional gemini surfactants often require laborious synthesis and lack design flexibility. Here, we introduce a novel pseudo-gemini surfactant system, innovatively constructed through simple non-covalent electrostatic interactions between a hydrophobic tertiary amine and a dibasic acid. This minimalist design approach bypasses traditional synthetic complexity, offering a rapid, modular pathway to functional surfactants. Our findings demonstrate that this new surfactant not only self-assembles into thermodynamically stable structures but also exhibits superior binding affinity to key biomacromolecules like DNA and BSA, as validated by spectroscopy and docking studies. The strong and specific interactions underscore its potential for high-impact applications in biomedicine. This work redefines the design paradigm for cationic surfactants and addresses an urgent need for accessible yet high-performance agents in therapeutic and industrial settings.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Brownian dynamics simulation of the diffusion of rod-like nanoparticles in polymeric gels. 棒状纳米颗粒在聚合物凝胶中扩散的布朗动力学模拟。

IF 2.9 3区化学

Soft Matter Pub Date : 2025-06-20 DOI: 10.1039/d5sm00195a

Mohammad-Reza Rokhforouz, Don D Sin, Sarah Hedtrich, James J Feng

{"title":"Brownian dynamics simulation of the diffusion of rod-like nanoparticles in polymeric gels.","authors":"Mohammad-Reza Rokhforouz, Don D Sin, Sarah Hedtrich, James J Feng","doi":"10.1039/d5sm00195a","DOIUrl":"10.1039/d5sm00195a","url":null,"abstract":"Rod-like nanoparticles (RNPs) have been shown to diffuse faster than spherical ones in polymeric hydrogels, but the underlying physics is not well understood. We develop a 3D Brownian dynamics model to investigate this phenomenon, representing the gel as a random network of rigid fibers in water and incorporating both steric repulsion and adhesive interactions. In non-adhesive gels, RNP diffusivity increases monotonically with the aspect ratio while its hydrodynamic diameter is kept constant, in agreement with the predictions of an obstruction scaling (OS) model. However, our model predicts a much higher diffusivity than the OS model, by up to 5 times for higher aspect ratios. To rationalize this discrepancy, we demonstrate that RNPs experience a skewed pore-size distribution in favor of the larger pores; they spend more time in coarser regions of the gel than in denser regions. Moreover, the RNPs execute a meandering motion in the coarser regions with pronounced rotational and transverse diffusion. In contrast, in denser regions, restricted rotation results in predominantly longitudinal diffusion. This anisotropy in diffusion further elevates the translational diffusivity of RNPs. Our model also reveals a competition between the steric and adhesive interactions, where steric repulsion limits access to adhesion sites, and produces a diffusivity intermediate between the purely steric and purely adhesive cases. Overall, our results show an even greater advantage for RNPs, in terms of rapid diffusion in hydrogels, than previously anticipated by using the OS model.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0