Soft MatterPub Date : 2025-04-11DOI: 10.1039/D5SM00034C
María Victoria Uranga Wassermann, Ezequiel Rodolfo Soulé and Cristian Balbuena
{"title":"Temperature-driven self-assembly in a hexagonal mesophase-forming model: a dynamic and structural study†","authors":"María Victoria Uranga Wassermann, Ezequiel Rodolfo Soulé and Cristian Balbuena","doi":"10.1039/D5SM00034C","DOIUrl":"https://doi.org/10.1039/D5SM00034C","url":null,"abstract":"<p >We investigate the self-assembly and phase transitions of a binary-particle system that forms a hexagonal mesophase, modeled <em>via</em> isotropic Stillinger–Weber interactions and studied with molecular dynamics simulations. Two characteristic temperatures emerge: the order–disorder transition <em>T</em><small><sub>OD</sub></small>, marking the onset of hexagonal order, and a higher temperature <em>T</em><small><sub><em>x</em></sub></small> where wormlike clustering of the minority component first appears in the isotropic phase. Using three complementary methods—(i) angular characterization, (ii) dynamic correlation analysis, and (iii) neighbor permanence time—we show how wormlike aggregates evolve below <em>T</em><small><sub><em>x</em></sub></small> and eventually align into the ordered mesophase at <em>T</em><small><sub>OD</sub></small>. These results clarify the interplay among clustering, dynamic organization, and structural signals in driving mesophase formation, offering insights into the fundamental mechanisms governing self-assembly in complex materials.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 19","pages":" 3748-3756"},"PeriodicalIF":2.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944125","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}
Soft MatterPub Date : 2025-04-11DOI: 10.1039/D5SM00046G
Parnian Mirabi, Fariba Vaez Ghasemi, Masoud Zakeri, Ibrahim Ogunsanya and Kevin Golovin
{"title":"Corrosion-resistant omniphobic coating for low-carbon steel substrates using silica layers enhanced with ethylenediamine tetraacedic acid","authors":"Parnian Mirabi, Fariba Vaez Ghasemi, Masoud Zakeri, Ibrahim Ogunsanya and Kevin Golovin","doi":"10.1039/D5SM00046G","DOIUrl":"https://doi.org/10.1039/D5SM00046G","url":null,"abstract":"<p >The present work develops a highly liquid repellent, <em>i.e.</em> omniphobic, coating designed specifically for metallic substrates like low carbon steels and evaluates its potential as a barrier to corrosion. Polydimethylsiloxane (PDMS) chains are grafted to an intermediary silica layer <em>via</em> the hydrolysis and polycondensation of a difunctional chlorosilane monomer, resulting in a contact angle hysteresis of ∼3° when deposited on unpolished low carbon steel substrates. However, the use of chlorosilanes to fabricate the omniphobic PDMS can corrode steel. To circumvent this, the coating uses a phosphate buffer solution to partially neutralize the silica precursor solution, and ethylenediamine tetraacedic acid (EDTA) to passivate any released Fe ions. The inhibition of corrosion is evidenced visually and by unchanging surface metrology parameters even after two months following coating deposition. Potentiodynamic polarization data indicate that the omniphobic layer provides a barrier to water ingress, as evidenced by a current density of ∼10<small><sup>−6</sup></small> A cm<small><sup>−2</sup></small>, two orders of magnitude lower than the steel coated with the silica but without the PDMS chains. Electrochemical impedance spectroscopy data indicates the absence of an inductive loop (<em>i.e.</em> no ongoing corrosion) and a high polarization resistance of 40 000 Ω cm<small><sup>2</sup></small> for the omniphobic coating. This work not only indicates that omniphobic grafted polymer chains like PDMS exhibit anti-corrosion properties, but also provides a method for depositing such coatings onto metals without corroding the substrate, even when using chlorosilane precursors that evolve hydrochloric acid.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 19","pages":" 3829-3838"},"PeriodicalIF":2.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d5sm00046g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soft MatterPub Date : 2025-04-11DOI: 10.1039/D4SM01367K
Caitlyn M. Wolf, Robert M. Dalgliesh, Liliana de Campo, Gregory N. Smith and Katie M. Weigandt
{"title":"Multi-scale phase separation in poly(d,l-lactide-co-glycolide) and palmitic acid blends using neutron and X-ray scattering†","authors":"Caitlyn M. Wolf, Robert M. Dalgliesh, Liliana de Campo, Gregory N. Smith and Katie M. Weigandt","doi":"10.1039/D4SM01367K","DOIUrl":"https://doi.org/10.1039/D4SM01367K","url":null,"abstract":"<p >In this work neutron and X-ray scattering are used to quantitatively characterize multi-scale phase separation in a model blend of poly(<small>D</small>,<small>L</small>-lactide-<em>co</em>-glycolide) or poly(<small>D</small>,<small>L</small>-lactide), both synthetic biodegradable polymers, and palmitic acid. We find that phase separation occurs on two different length scales from tens of nanometers to microns. Moreover, the large-scale phase separation mechanism is sensitive to the lactide to glycolide ratio of the polymer matrix and can limit the growth of nanoscale domains of the dispersed palmitic acid. The multiscale structure in these composite materials is directly tied to function in pharmaceutical applications where phase separation and small molecule crystallization are factors that determine controlled release behaviors and drug efficacy.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 18","pages":" 3558-3569"},"PeriodicalIF":2.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918831","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}
Soft MatterPub Date : 2025-04-10DOI: 10.1039/D5SM00141B
Shihori Koyama, Norihiro Oyama, Hideyuki Mizuno and Atsushi Ikeda
{"title":"Enhanced collective vibrations in granular materials","authors":"Shihori Koyama, Norihiro Oyama, Hideyuki Mizuno and Atsushi Ikeda","doi":"10.1039/D5SM00141B","DOIUrl":"10.1039/D5SM00141B","url":null,"abstract":"<p >Granular materials are defined as collections of macroscopic dissipative particles. Although these systems are ubiquitous in our lives, the nature and the causes of their non-trivial collective dynamics still remain elusive and have attracted significant interest in non-equilibrium physics. Here, we focus on the vibrational dynamics of granular materials. While the vibrational dynamics of random packings have been examined concerning the jamming transition, previous research has overlooked the role of contact dissipations. We conducted numerical and analytical investigations into the vibrational dynamics of random packings influenced by the normal dissipative force, which is the simplest model for contact dissipations. Our findings reveal that the kinetic energy per mode diverges in the low-frequency range, following the scaling law <img> with the frequency <em>ω</em><small><sub><em>l</em></sub></small>, indicating that low-frequency modes experience strong excitation and that the equipartition of energy is violated. Additionally, the spatial structure factor of the velocity field displays the scaling law <em>S</em><small><sub>v</sub></small>(<em>q</em>) ∝ <em>q</em><small><sup>−2</sup></small> with the wavenumber <em>q</em>, which signifies that the velocity field has an infinitely long range. We demonstrate that these phenomena arise from the effects of weaker damping on softer modes, where the particle displacements parallel to the contacts are minimal in the low-frequency modes, rendering normal dissipation ineffective at damping these modes.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 20","pages":" 3957-3964"},"PeriodicalIF":2.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d5sm00141b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143953606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soft MatterPub Date : 2025-04-10DOI: 10.1039/D5SM00057B
Leah Rank and Emanuela Zaccarelli
{"title":"Numerical insights on the volume phase transition of thermoresponsive hollow microgels","authors":"Leah Rank and Emanuela Zaccarelli","doi":"10.1039/D5SM00057B","DOIUrl":"10.1039/D5SM00057B","url":null,"abstract":"<p >Hollow microgels, consisting of a pNIPAM polymer network with a central cavity, have significant potential due to their tunable softness and encapsulation capabilities. Using molecular dynamics simulations, we thoroughly characterise the swelling behaviour of neutral hollow microgels across the volume phase transition (VPT) upon varying crosslinker concentration, shell thickness, and size. In particular, we examine in detail the onset of cavity filling and its relation to the VPT, detecting the presence of a discontinuity in the radius of gyration of the microgels, if an appropriate balance between shell stiffness and thermoresposiveness is reached. The discontinuity is, however, absent in the behaviour of the hydrodynamic radius, in agreement with experimental observations. We then test our numerical model by direct comparison of form factors with available measurements in the literature and also establish a minimal-size, stable hollow microgel for future computationally feasible bulk investigations. Overall, our findings provide valuable insights into the fundamental swelling properties of hollow microgels that can be useful to control the opening and closing of the cavity for application purposes.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 20","pages":" 3979-3990"},"PeriodicalIF":2.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d5sm00057b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143957366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soft MatterPub Date : 2025-04-10DOI: 10.1039/D4SM01537A
Kasra Amini, Cornelius Wittig, Sofia Saoncella, Outi Tammisola, Fredrik Lundell and Shervin Bagheri
{"title":"Optical coherence tomography in soft matter†","authors":"Kasra Amini, Cornelius Wittig, Sofia Saoncella, Outi Tammisola, Fredrik Lundell and Shervin Bagheri","doi":"10.1039/D4SM01537A","DOIUrl":"https://doi.org/10.1039/D4SM01537A","url":null,"abstract":"<p >Optical coherence tomography (OCT) has become an indispensable tool for investigating mesoscopic features in soft matter and fluid mechanics. Its ability to provide high-resolution, non-invasive measurements in both spatial and temporal domains bridges critical gaps in experimental instrumentation, enabling the study of complex, confined, and dynamic systems. This review serves as both an introduction to OCT and a practical guide for researchers seeking to adopt this technology. A set of tutorials, complemented by Python scripts, is provided for both intensity- and Doppler-based techniques. The versatility of OCT is illustrated through case studies, including time-resolved velocimetry, particle-based velocity measurements, slip velocity characterization, detection of shear-induced structures, and analysis of fluid–fluid and fluid–structure interactions. Drawing on our experiences, we also present a set of practical guidelines for avoiding common pitfalls.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 18","pages":" 3425-3442"},"PeriodicalIF":2.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d4sm01537a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soft MatterPub Date : 2025-04-10DOI: 10.1039/D5SM00205B
Devendra Kumar Verma and Awaneesh Singh
{"title":"Self-assembly kinetics of miktoarm star polymers in diverse solvent environments: insights from dissipative particle dynamics simulations","authors":"Devendra Kumar Verma and Awaneesh Singh","doi":"10.1039/D5SM00205B","DOIUrl":"10.1039/D5SM00205B","url":null,"abstract":"<p >We present the self-assembly kinetics of miktoarm star polymers (MSPs) with compositional and topological asymmetries in various solvents using three-dimensional dissipative particle dynamics simulations. Morphological evolution, analyzed <em>via</em> radial distribution, spatial correlation functions, and domain growth exponents, reveals distinct structures driven by solvent–MSP interactions. Good solvents promote a mostly slow domain growth rate, resulting in a porous morphology, whereas poor solvents facilitate a faster growth rate and lead to denser and localized lamellar or cylindrical structures. Domain growth follows a power-law behavior with an exponent of nearly 1/3 in the early diffusive regime; however, the growth rate and saturation of the domain size vary with solvent quality. Topologically asymmetric MSPs form interconnected bicontinuous morphologies in good solvents and localized lamellae in poor solvents. The correlation function scaling deviates from universality in symmetric interactions but exhibits better collapse when one arm is solvophilic. Thermodynamic analysis shows that increasing solvophobicity reduces entropy, raises enthalpy, and thus influences self-assembly kinetics. These findings significantly improve our understanding of complex MSP self-assembly under different solvent conditions and offer pathways for designing polymeric materials with diverse functionalities.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 20","pages":" 3965-3978"},"PeriodicalIF":2.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143951201","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}
Soft MatterPub Date : 2025-04-09DOI: 10.1039/D5SM00084J
Yishan Hong, Hongyi Zou, Lijun Yang, Yitan Li and Ruo-Yu Dong
{"title":"Granular flow–solid wall interaction: investigation of the teapot effect†","authors":"Yishan Hong, Hongyi Zou, Lijun Yang, Yitan Li and Ruo-Yu Dong","doi":"10.1039/D5SM00084J","DOIUrl":"10.1039/D5SM00084J","url":null,"abstract":"<p >The evolution of granular flows generally involves solid boundaries, which add complexity to their dynamics and pose challenges to understand relevant natural and industrial phenomena. While an interesting “teapot effect” has been observed for liquid flowing over the solid surface of a teapot's spout, a similar phenomenon for discrete particles receives far less attention. In this work, we experimentally investigated the interactions between granular flows and a wedge-shaped solid edge (spout), showing that the trailing edge of the solid boundary plays a key role in causing velocity non-uniformity and splitting the flow into “dispersed” and “uniform” regions. Tuning the parameters (inclination angle, particle diameter, radii and surface roughness of the trailing edge) of the granular flow, a dimensionless number was summarized and successfully predicted the dispersion of the granular flows. Moreover, we also proved that introducing stronger cohesive forces between particles could harness the granular flows from heterogenous structures to grain clusters, which can be employed to switch between different flow regimes and regulate the dispersion behavior of particle flows. This study reveals the interaction of granular flow over complex solid boundaries, potentially offering new insights into particle-dominated flow dynamics.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 19","pages":" 3741-3747"},"PeriodicalIF":2.9,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143810399","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}
Soft MatterPub Date : 2025-04-09DOI: 10.1039/D5SM00243E
Tianyun Cai, Qianlin Cai, Jiaping Lin and Liangshun Zhang
{"title":"Convergence of DNA nanotechnology and polymer chemistry to ‘synthesize’ nanopolymers with branching architectures: a computational perspective†","authors":"Tianyun Cai, Qianlin Cai, Jiaping Lin and Liangshun Zhang","doi":"10.1039/D5SM00243E","DOIUrl":"https://doi.org/10.1039/D5SM00243E","url":null,"abstract":"<p >Polymer-like superstructures termed nanopolymers from the self-assembly of atom-like nanoparticles are an emerging class of structured metamaterials with enhanced functionalities, but the controllable ‘synthesis’ of nanopolymers with non-linear architecture and spatially defined dimensions remains a challenge. Inspired by synthetic concepts of branched polymers, we propose a hierarchical polymerization-like protocol for the programmable coassembly of DNA-based multicomponent mixtures into non-linear nanopolymers with well-defined branching architecture and predictable spatial dimensions. By employing computational simulations, it is theoretically demonstrated that the synergy of sequence-designed DNA motifs and the proposed protocol enables the precise control over the assembly kinetics of atom-like nanoparticles and the branching architectures of nanopolymers, in agreement with the predictions of the generalized polymerization kinetics model. Furthermore, it is demonstrated that the fundamental correlations between the spatial dimension and branching architecture of nanopolymers satisfy the scaling law acquired in polymer science. These findings will facilitate the programmable coassembly of DNA supramolecules into structured metamaterials with architectural complexity observed in nature.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 19","pages":" 3803-3813"},"PeriodicalIF":2.9,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944130","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}
{"title":"Statistical mechanics of cell aggregates: explaining the phase transition and paradoxical piezoelectric behavior of soft biological tissues.","authors":"Pratik Khandagale, Hao Lin, Liping Liu, Pradeep Sharma","doi":"10.1039/d5sm00035a","DOIUrl":"https://doi.org/10.1039/d5sm00035a","url":null,"abstract":"<p><p>Piezoelectricity in biological soft tissues is a controversial issue with differing opinions. While there is compelling experimental evidence to suggest a piezoelectric-like response in tissues such as the aortic wall (among others), there are equally compelling experiments that argue against this notion. In addition, the lack of a polar structure in the underlying components of most soft biological tissues supports the latter. In this paper, we address the collective behavior of cells within a two-dimensional cell aggregate from the viewpoint of statistical mechanics. Our starting point is the simplest form of energy for cell behavior that only includes known observable facts <i>e.g.</i>, the electrical Maxwell stress or electrostriction, resting potential across cell membranes, elasticity, and we explicitly exclude any possibility of electromechanical coupling reminiscent of piezoelectricity at the cellular level. We coarse-grain our cellular aggregate to obtain its emergent mechanical, physical, and electromechanical properties. Our findings indicate that the fluctuation of cellular strain (<b>E</b>) plays a similar role as the absolute temperature in a conventional atomistic-level statistical model. The coarse-grained effective free energy reveals several intriguing features of the collective behavior of cell aggregates, such as solid-fluid phase transitions and a distinct piezoelectric-like coupling, even though it is completely absent at the microscale. Closed-form formulas are obtained for key electromechanical properties, including stiffness, effective resting potential, critical <b>E</b><sup>2</sup>-temperature (or fluctuation) for solid-fluid phase transitions, and apparent piezoelectric coupling in terms of fluctuation and electric potential regulated by active cellular processes.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143802023","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}