Soft Matter最新文献_第7页

Magnetic manipulation of liquid-wrapped hydrogels.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-19 DOI: 10.1039/d4sm01523a

Utsab Banerjee, Sirshendu Misra, Sushanta K Mitra

引用次数: 0

Scalability of a graph neural network in accurate prediction of frictional contact networks in suspensions.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-19 DOI: 10.1039/d4sm01391c

Armin Aminimajd, Joao Maia, Abhinendra Singh

{"title":"Scalability of a graph neural network in accurate prediction of frictional contact networks in suspensions.","authors":"Armin Aminimajd, Joao Maia, Abhinendra Singh","doi":"10.1039/d4sm01391c","DOIUrl":"https://doi.org/10.1039/d4sm01391c","url":null,"abstract":"Dense suspensions often exhibit shear thickening, characterized by a dramatic increase in viscosity under large external forcing. This behavior has recently been linked to the formation of a system-spanning frictional contact network (FCN), which contributes to increased resistance during deformation. However, identifying these frictional contacts poses experimental challenges and is computationally expensive. This study introduces a graph neural network (GNN) model designed to accurately predict FCNs by two dimensional simulations of dense shear thickening suspensions. The results demonstrate the robustness and scalability of the GNN model across various stress levels (σ), packing fractions (ϕ), system sizes, particle size ratios (Δ), and amounts of smaller particles. The model is further able to predict both the occurrence and structure of a FCN. The presented model is accurate and interpolates and extrapolates to conditions far from its control parameters. This machine learning approach provides an accurate, lower cost, and faster predictions of suspension properties compared to conventional methods, while it is trained using only small systems. Ultimately, the findings in this study pave the way for predicting frictional contact networks in real-life large-scale polydisperse suspensions, for which theoretical models are largely limited owing to computational challenges.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655686","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

Squaramide-based supramolecular gels for the removal of organic dyes from water matrices.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-18 DOI: 10.1039/d4sm01538j

Jessica Milia, Simona Bianco, Tomás S Plivelic, Emily R Draper, Giacomo Picci, Claudia Caltagirone

引用次数: 0

2H and 17O NMR studies of solvent dynamics related to the cononsolvency of poly(N-isopropyl acrylamide) in ethanol–water mixtures†

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-18 DOI: 10.1039/D5SM00055F

Christoph Säckel, Regine von Klitzing and Michael Vogel

{"title":"2H and 17O NMR studies of solvent dynamics related to the cononsolvency of poly(N-isopropyl acrylamide) in ethanol–water mixtures†","authors":"Christoph Säckel, Regine von Klitzing and Michael Vogel","doi":"10.1039/D5SM00055F","DOIUrl":"10.1039/D5SM00055F","url":null,"abstract":"Although the thermoresponsive polymer poly(N-isopropylacrylamide) (pNIPAM) is well soluble in both ethanol and water, it shows a miscibility gap in ethanol–water mixtures, an effect termed cononsolvency. We use 2H and 17O nuclear magnetic resonance (NMR) together with appropriate isotope labelling to selectively study reorientation dynamics of ethanol and water related to the cononsolvency effect over the whole range of solvent compositions from pure ethanol to pure water. At low ethanol concentrations (≤30 vol%), spin–lattice (T1) and spin–spin (T2) relaxation times show a step-like decrease when heating across the lower critical solution temperature for the respective solvent composition. However, the drop is notably stronger for ethanol (2H NMR) than for water (17O NMR) in the solvent mixtures. These observations show that the coil-to-globule transition of pNIPAM is accompanied by a slowdown of average solvent dynamics, which is more prominent for ethanol than for water. The different degree of slowdown of the solvent components implies that preferential interaction with the polymer plays a significant role for cononsolvency. Field-cycling relaxometry reveals a low-frequency T1 dispersion above the coil-to-globule transition, indicating that the average solvent dynamics is slower because a major free solvent fraction is accompanied by a minor bound solvent fraction, which shows strongly retarded dynamics. From intermediate to high ethanol concentrations (>50 vol%), the T1 and T2 relaxation times yield no evidence for significant changes in ethanol and water dynamics when crossing an expected upper critical solution temperature.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 14","pages":" 2738-2747"},"PeriodicalIF":2.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143690487","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

New perspectives on green and sustainable wet cleaning systems for art conservation.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-18 DOI: 10.1039/d5sm00017c

David Chelazzi, Romain Bordes, Andrea Casini, Rosangela Mastrangelo, Krister Holmberg, Piero Baglioni

{"title":"New perspectives on green and sustainable wet cleaning systems for art conservation.","authors":"David Chelazzi, Romain Bordes, Andrea Casini, Rosangela Mastrangelo, Krister Holmberg, Piero Baglioni","doi":"10.1039/d5sm00017c","DOIUrl":"https://doi.org/10.1039/d5sm00017c","url":null,"abstract":"The field of cultural heritage conservation science has seen significant advancements over recent decades, particularly through the application of soft matter and colloid science. Gels, nanostructured fluids, nanoparticles, and other advanced functional materials have been developed to address challenges in cleaning, consolidation, and protection of art. More recently, the focus has shifted toward \"green\" materials and sustainable practices, aligning with broader trends in science and technology. This emphasis on sustainability has revealed the immense potential for cross-disciplinary exchange between conservation science and fields like drug delivery, the food industry, tissue engineering, and more. A clear example of this synergy is seen in the cleaning of artworks, where bio-derived surfactants and biomaterials are increasingly incorporated into microemulsions and gels. These innovations not only enhance cleaning efficacy but also align conservation practices with sustainable principles, drawing parallels to research in cosmetics, pharmaceuticals, and detergents. The examples and materials discussed in this contribution illustrate how advancements in art conservation science can foster mutual technological transfer with other industries. By leveraging the central role of soft matter and colloids, these collaborations produce sustainable solutions that can address critical societal, environmental, and economic challenges.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655685","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

The pendant drop experiment for aggregates of cohesive granular particles.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-14 DOI: 10.1039/d4sm01424c

Yasaman Heshmatzadeh, Jean-Christophe Ono-Dit-Biot, Kari Dalnoki-Veress

引用次数: 0

Composition–structure–property relationships of polyethylene vitrimers crosslinked by 8-arm polyhedral oligomeric silsesquioxane†

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-14 DOI: 10.1039/D4SM01518E

Mikaela Sadri, Andrew Barbour, Travis L. Thornell, J. Kent Newman and Zhe Qiang

{"title":"Composition–structure–property relationships of polyethylene vitrimers crosslinked by 8-arm polyhedral oligomeric silsesquioxane†","authors":"Mikaela Sadri, Andrew Barbour, Travis L. Thornell, J. Kent Newman and Zhe Qiang","doi":"10.1039/D4SM01518E","DOIUrl":"10.1039/D4SM01518E","url":null,"abstract":"Transforming polyolefins (POs), such as polyethylene (PE), into vitrimers is a promising research field due to their low cost, high availability, and excellent chemical resistance and mechanical properties. In these systems, the introduction of dynamic crosslinking can affect the degree of crystallinity in POs and may lead to phase separation due to incompatibility between the PO matrix and crosslinking agents, both of which can impact mechanical performance. This study investigates the relationship between crystallinity, crosslinking, and thermal-mechanical properties in commodity PE-derived vitrimers utilizing reactive 8-arm polyhedral oligomeric silsesquioxane (POSS) nanoparticles by deconvoluting the crosslinked and non-crosslinked components. Specifically, the insoluble crosslinked components displayed a lower modulus and increased brittleness, while the non-crosslinked phase performed similarly to neat PE. Together, the PE-vitrimer, crosslinked with 8-arm POSS, exhibited reduced toughness, elongation at break, and a slight increase in ultimate tensile strength. These behaviors were consistent when comparing the crosslinking density and gel fraction with a bifunctional crosslinker analogue. This work demonstrates the influence of multi-arm, nanoparticle-based crosslinker content on the mechanical properties of semi-crystalline PO-vitrimers, elucidating the roles of network density and crystallinity in determining their performance.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 14","pages":" 2694-2703"},"PeriodicalIF":2.9,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655681","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

Unravelling chain confinement and dynamics of weakly entangled polymers in one component nanocomposites.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-13 DOI: 10.1039/d4sm01505c

M Kruteva, M Monkenbusch, A Sharma, J Allgaier, I Hoffmann, B Rosi, M Dulle, L Porcar, O Matsarskaia, D Richter

{"title":"Unravelling chain confinement and dynamics of weakly entangled polymers in one component nanocomposites.","authors":"M Kruteva, M Monkenbusch, A Sharma, J Allgaier, I Hoffmann, B Rosi, M Dulle, L Porcar, O Matsarskaia, D Richter","doi":"10.1039/d4sm01505c","DOIUrl":"https://doi.org/10.1039/d4sm01505c","url":null,"abstract":"Structure and dynamics of polymer chains grafted to a nanoparticle (NP) surface in one component nanocomposites (OCNC) are investigated by small angle scattering (SAXS, SANS) and neutron spin echo (NSE). The OCNC were realized by self-assembly of block-copolymers and subsequent cross-linking of the core. The sizes of the resulting NPs were narrowly distributed. Owing to equal core and shell volumes the melt structure is that of a concentrated colloidal dispersion of cores. The melt structure could be reasonably well described by a Percus-Yevick structure factor. In order to access more deeply the dynamics, three differently labeled materials with labels at the inner- or outer part and the whole graft were studied. The experimental data were evaluated in terms of models allowing for site dependent friction. For this purpose, the Langevin equation containing a friction profile was solved and the dynamic structure factor in terms of its eigenvalues and eigenvectors was compared to the data. The evaluation shows increased friction towards the grafting points. In addition, topological restrictions of motion due to the dense arrangements of micellar cores and the presence of neighboring chains were considered and compared with those of a corresponding melt. Assuming homogenous relaxation of all grafts did not yield a satisfactory data description, but rather at least two differently relaxing chain ensembles had to be considered.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143622843","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

Solution landscape of droplets on rough surfaces: wetting transition and directional transport

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-13 DOI: 10.1039/D4SM01372G

Yuze Zhang, Xuelong Gu, Yushun Wang, Xianmin Xu and Lei Zhang

引用次数: 0

Ultra-slow self-similar coarsening of physical fibrillar gels formed by semiflexible polymers.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-03-12 DOI: 10.1039/d4sm01479k

Martin Kröger, Clarisse Luap, Patrick Ilg

{"title":"Ultra-slow self-similar coarsening of physical fibrillar gels formed by semiflexible polymers.","authors":"Martin Kröger, Clarisse Luap, Patrick Ilg","doi":"10.1039/d4sm01479k","DOIUrl":"https://doi.org/10.1039/d4sm01479k","url":null,"abstract":"Biopolymers tend to form fibrils that self-assemble into open network structures. While permanently crosslinked flexible polymers are relatively well understood, structure-property relationships of open networks and pseudo-gels formed by bundles of biopolymers are still controversial. Here we employ a generic coarse-grained bead-spring chain model incorporating semiflexibility and cohesive nonbonded interactions, that forms physical instead of chemical crosslinks. For flexible chains, the cohesive forces lead to the formation of a droplet phase while, at the same concentration, stiffer chains form bundles that self-assemble into percolated networks. From comprehensive molecular dynamics simulations we find that the reversible crosslinks allow for permanent relaxation processes. However, the associated reorganization of the filamentous network is severely hindered, leading to aging of its topology. Based on morphometric analyses, the ultra-slow coarsening in these systems is proven to be self-similar, which implies a number of scaling relations between structural quantities as the networks age. The percolated structures are characterized by different dynamic regimes of slow, anomalous diffusion with highly non-Gaussian displacements. Relaxation dynamics is found to become extremely slow already on moderate length scales and further slowing down as coarsening proceeds. Using a minimal model supported by observations on filament rupture and rearrangement, our study helps to shed light on various interrelated structural and dynamical aspects of coarsening nonergodic systems relevant for fibrous networks, pseudo-gels, and physical fibrillar gels.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143603260","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