arXiv - PHYS - Soft Condensed Matter最新文献_第9页

Hierarchical materials with interconnected pores from capillary suspensions for bone tissue engineering 用于骨组织工程的具有毛细悬浮液互联孔隙的分层材料

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-08 DOI: arxiv-2408.04337

Souhaila Nider, Femke De Ceulaer, Berfu Göksel, Annabel Braem, Erin Koos

{"title":"Hierarchical materials with interconnected pores from capillary suspensions for bone tissue engineering","authors":"Souhaila Nider, Femke De Ceulaer, Berfu Göksel, Annabel Braem, Erin Koos","doi":"arxiv-2408.04337","DOIUrl":"https://doi.org/arxiv-2408.04337","url":null,"abstract":"The increasing demand for bone grafts due to the aging population has opened\u0000new opportunities for the manufacture of porous ceramics to assist in bone\u0000reconstruction. In our study, we investigate a new, promising method to\u0000manufacture hierarchically porous structures in a straightforward, and tuneable\u0000way. It consists of combining the novel technology of capillary suspensions,\u0000formed by mixing solid particles and two immiscible liquids, one less than 5\u0000vol%, with freeze casting. We have successfully achieved alumina and\u0000$beta$-TCP materials with both <2 $mu$m and 20-50 $mu$m as the smallest and\u0000largest pore size, respectively. The microstructure exhibits fully open pores\u0000and high levels of porosity (> 60%). The capillary suspensions' rheological\u0000behaviour indicates that silica nano-suspensions as a secondary fluid creates a\u0000stronger internal particle network than sucrose for the alumina system.\u0000Conversely, the opposite was observed with the $beta$-TCP system. These\u0000differences were attributed to the change in affinity between the secondary\u0000fluids and the solid loading. In our study, both systems have served to deepen\u0000the knowledge about the new area of capillary suspensions and prove their use\u0000in hierarchical porous scaffolds for bone tissue engineering.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Analytical model for the motion and interaction of two-dimensional active nematic defects 二维活性向列缺陷运动和相互作用的分析模型

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-08 DOI: arxiv-2408.04706

Cody D. Schimming, C. J. O. Reichhardt, C. Reichhardt

引用次数: 0

Coarse-grained models for phase separation in DNA-based fluids 基于 DNA 的流体中的粗粒度相分离模型

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-08 DOI: arxiv-2408.04435

Soumen De Karmakar, Thomas Speck

引用次数: 0

Simplifying FFT-based methods for mechanics with automatic differentiation 通过自动微分简化基于 FFT 的力学方法

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-07 DOI: arxiv-2408.03804

Mohit Pundir, David S. Kammer

{"title":"Simplifying FFT-based methods for mechanics with automatic differentiation","authors":"Mohit Pundir, David S. Kammer","doi":"arxiv-2408.03804","DOIUrl":"https://doi.org/arxiv-2408.03804","url":null,"abstract":"Fast-Fourier Transform (FFT) methods have been widely used in solid mechanics\u0000to address complex homogenization problems. However, current FFT-based methods\u0000face challenges that limit their applicability to intricate material models or\u0000complex mechanical problems. These challenges include the manual implementation\u0000of constitutive laws and the use of computationally expensive and complex\u0000algorithms to couple microscale mechanisms to macroscale material behavior.\u0000Here, we incorporate automatic differentiation (AD) within the FFT framework to\u0000mitigate these challenges. We demonstrate that AD-enhanced FFT-based methods\u0000can derive stress and tangent stiffness directly from energy density\u0000functionals, facilitating the extension of FFT-based methods to more intricate\u0000material models. Additionally, AD simplifies the calculation of homogenized\u0000tangent stiffness for microstructures with complex architectures and\u0000constitutive properties. This enhancement renders current FFT-based methods\u0000more modular, enabling them to tackle homogenization in complex multiscale\u0000systems, especially those involving multiphysics processes. Our work will\u0000simplify the numerical implementation of FFT-based methods for complex solid\u0000mechanics problems.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141968981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy 计算机模拟氮水合物的离解线和成核驱动力。II.多重占据的影响

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-06 DOI: arxiv-2408.03257

Miguel J. Torrejón, Jesús Algaba, Felipe J. Blas

{"title":"Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy","authors":"Miguel J. Torrejón, Jesús Algaba, Felipe J. Blas","doi":"arxiv-2408.03257","DOIUrl":"https://doi.org/arxiv-2408.03257","url":null,"abstract":"In this work, we determine the dissociation line of the nitrogen (N$_{2}$)\u0000hydrate by computer simulation using the TIP4P/Ice model for water and the\u0000TraPPE force field for N$_{2}$. This work is the natural extension of our\u0000previous paper in which the dissociation temperature of the N$_2$ hydrate has\u0000been obtained at $500$, $1000$, and $1500,text{bar}$ [emph{J. Chem. Phys.}\u0000textbf{159}, 224707 (2023)] using the solubility method and assuming single\u0000occupancy. We extend our previous study and determine the dissociation\u0000temperature of the N$_2$ hydrate at different pressures, from $500$ to\u0000$4500,text{bar}$, taking into account single and double occupancy of the\u0000N$_{2}$ molecules in the hydrate structure. We calculate the solubility of\u0000N$_2$ in the aqueous solution, as a function of temperature, when it is in\u0000contact with a N$_{2}$-rich liquid phase and when in contact with the hydrate\u0000phase with single and double occupancy via planar interfaces. Both curves\u0000intersect at a certain temperature that determines the dissociation temperature\u0000at a given pressure. We observe a negligible effect of the occupancy on the\u0000dissociation temperature. Our findings are in very good agreement with the\u0000experimental data taken from the literature. We have also obtained the driving\u0000force for nucleation of the hydrate as a function of the temperature and\u0000occupancy at several pressures. As in the case of the dissociation line, the\u0000effect of the occupancy on the driving force for nucleation is negligible. To\u0000the best of our knowledge, this is the first time that the effect of the\u0000occupancy on the driving force for nucleation of a hydrate that exhibits sII\u0000crystallographic structure is studied from computer simulation.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ultimately deformed double-network gels possess positive energetic elasticity 最终变形的双网凝胶具有正能量弹性

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-05 DOI: arxiv-2408.02523

Chika Imaoka, Tatsunari Masumi, Jian Ping Gong, Tsutomu Indei, Tasuku Nakajima

引用次数: 0

Role of softness on transition temperatures for pNIPAM microgels 软度对 pNIPAM 微凝胶过渡温度的影响

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-05 DOI: arxiv-2408.02490

Syamjith KS, Shubhasmita Rout, Alan R Jacob

{"title":"Role of softness on transition temperatures for pNIPAM microgels","authors":"Syamjith KS, Shubhasmita Rout, Alan R Jacob","doi":"arxiv-2408.02490","DOIUrl":"https://doi.org/arxiv-2408.02490","url":null,"abstract":"Poly(N-isopropylacrylamide) (pNIPAM) microgels are renowned for their\u0000thermoresponsive behavior, exhibiting a distinct volume phase transition (VPT)\u0000upon temperature changes. This study investigates the influence of microgel\u0000softness, controlled by varying the crosslinking density during synthesis via\u0000free radical polymerization (FRP), on the difference between the volume phase\u0000transition temperature (VPTT) and the electrokinetic transition temperature\u0000(ETT). These transition temperatures mark the points at which the microgel size\u0000and surface charge, respectively, undergo significant alterations in response\u0000to temperature. Here, we investigate this phenomenon, employing dynamic light\u0000scattering (DLS) and electrophoretic light scattering (ELS) measurements to\u0000characterize the size and electrophoretic mobility response of pNIPAM microgels\u0000with different crosslinking densities as a function of temperature. By\u0000analyzing the observed trends in the difference between the transition\u0000temperatures, we aim to develop a hypothesis that provides a deeper physical\u0000understanding of the microgel structure and its relationship to transition\u0000temperatures. This investigation thus sheds light on the intricate interplay\u0000between microgel structure and its thermoresponsive behavior, offering insights\u0000for the design and optimization of pNIPAM microgels for future applications.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Minimal actuation and control of a soft hydrogel swimmer from flutter instability 从扑腾不稳定性中实现对软水凝胶游泳器的最小驱动和控制

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-05 DOI: arxiv-2408.02560

Ariel Surya Boiardi, Giovanni Noselli

{"title":"Minimal actuation and control of a soft hydrogel swimmer from flutter instability","authors":"Ariel Surya Boiardi, Giovanni Noselli","doi":"arxiv-2408.02560","DOIUrl":"https://doi.org/arxiv-2408.02560","url":null,"abstract":"Micro-organisms propel themselves in viscous environments by the periodic,\u0000nonreciprocal beating of slender appendages known as flagella. Active materials\u0000have been widely exploited to mimic this form of locomotion. However, the\u0000realization of such coordinated beating in biomimetic flagella requires complex\u0000actuation modulated in space and time. We prove through experiments on\u0000polyelectrolyte hydrogel samples that directed undulatory locomotion of a soft\u0000robotic swimmer can be achieved by untethered actuation from a uniform and\u0000static electric field. A minimal mathematical model is sufficient to reproduce,\u0000and thus explain, the observed behavior. The periodic beating of the swimming\u0000hydrogel robot emerges from flutter instability thanks to the interplay between\u0000its active and passive reconfigurations in the viscous environment.\u0000Interestingly, the flutter-driven soft robot exhibits a form of electrotaxis\u0000whereby its swimming trajectory can be controlled by simply reorienting the\u0000electric field. Our findings trace the route for the embodiment of mechanical\u0000intelligence in soft robotic systems by the exploitation of flutter instability\u0000to achieve complex functional responses to simple stimuli. While the\u0000experimental study is conducted on millimeter-scale hydrogel swimmers, the\u0000design principle we introduce requires simple geometry and is hence amenable\u0000for miniaturization via micro-fabrication techniques. We believe it may also be\u0000transferred to a wider class of soft active materials.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

MetaParticles: Computationally engineered nanomaterials with tunable and responsive properties 元粒子：具有可调节和响应特性的计算工程纳米材料

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-05 DOI: arxiv-2408.02564

Massimiliano Paesani, Ioana M. Ilie

{"title":"MetaParticles: Computationally engineered nanomaterials with tunable and responsive properties","authors":"Massimiliano Paesani, Ioana M. Ilie","doi":"arxiv-2408.02564","DOIUrl":"https://doi.org/arxiv-2408.02564","url":null,"abstract":"In simulations, particles are traditionally treated as rigid platforms with\u0000variable sizes, shapes and interaction parameters. While this representation is\u0000applicable for rigid core platforms, particles consisting of soft platforms\u0000(e.g. micelles, polymers, elastomers, lipids) inevitably deform upon\u0000application of external stress. We introduce a generic model for flexible\u0000particles which we call MetaParticles (MP). These particles have tunable\u0000properties, can respond to applied tension and can deform. A metaparticle is\u0000represented as a collection of Lennard-Jones beads interconnected by\u0000spring-like potentials. We model a series of metaparticles of variable sizes\u0000and symmetries, which we subject to external stress followed by relaxation upon\u0000stress release. The positions and the orientations of the individual beads are\u0000propagated by Brownian dynamics. The simulations show that the mechanical\u0000properties of the metaparticles vary with size, bead arrangement and area of\u0000applied stress, and share an elastomer-like response to applied stress.\u0000Furthermore, metaparticles deform following different mechanisms, i.e., small\u0000MPs change shape in one step, while larger ones follow a multi-step deformation\u0000pathway, with internal rearrangements of the beads. This model is the first\u0000step towards the development and understanding of particles with adaptable\u0000properties with biomedical applications and in the design of bioinspired\u0000metamaterials.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate 计算机模拟的水合物三相平衡。I. 甲烷水合物中的有限尺寸效应

arXiv - PHYS - Soft Condensed Matter Pub Date : 2024-08-04 DOI: arxiv-2408.02098

S. Blazquez, J. Algaba, J. M. Míguez, C. Vega, F. J. Blas, M. M. Conde

{"title":"Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate","authors":"S. Blazquez, J. Algaba, J. M. Míguez, C. Vega, F. J. Blas, M. M. Conde","doi":"arxiv-2408.02098","DOIUrl":"https://doi.org/arxiv-2408.02098","url":null,"abstract":"Clathrate hydrates are vital in energy research and environmental\u0000applications. Understanding their stability is crucial for harnessing their\u0000potential. In this work, we employ direct coexistence simulations to study\u0000finite-size effects in the determination of the three-phase equilibrium\u0000temperature ($T_3$) for methane hydrates. Two popular water models, TIP4P/Ice\u0000and TIP4P/2005, are employed, exploring various system sizes by varying the\u0000number of molecules in the hydrate, liquid, and gas phases. The results reveal\u0000that finite-size effects play a crucial role in determining $T_3$. The study\u0000includes nine configurations with varying system sizes, demonstrating that\u0000smaller systems, particularly those leading to stoichiometric conditions and\u0000bubble formation, may yield inaccurate $T_3$ values. The emergence of methane\u0000bubbles within the liquid phase, observed in smaller configurations,\u0000significantly influences the behavior of the system and can lead to erroneous\u0000temperature estimations. Our findings reveal finite size effects on the\u0000calculation of the $T_3$ by direct coexistence simulations and clarify the\u0000system size convergence for both models, shedding light on discrepancies found\u0000in the literature. The results contribute to a deeper understanding of the\u0000phase equilibrium of gas hydrates and offer valuable information for future\u0000research in this field.","PeriodicalId":501146,"journal":{"name":"arXiv - PHYS - Soft Condensed Matter","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0