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The influence of structural constraints on the relaxation dynamics of three polyurea networks with varying degree of crosslinking, has been studied by means of a thorough analysis of broadband dielectric spectroscopy measurements. Two different relaxation processes are observed, namely, a fast process involving the so... |
We report on the transient frictional response of contacts between a rigid spherical glass probe and a micrometer-thick poly(dimethylacrylamide) hydrogel film grafted onto a glass substrate when a lateral relative motion is applied to the contact initially at rest. From dedicated experiments with \textit{in situ} cont... |
Liquid-liquid phase separation is key to understanding aqueous two-phase systems (ATPS) arising throughout cell biology, medical science, and the pharmaceutical industry. Controlling the detailed morphology of phase-separating compound droplets leads to new technologies for efficient single-cell analysis, targeted dru... |
Lipid membranes have complex compositions and modeling the thermodynamic properties of multi-component lipid systems remains a remote goal. In this work we attempt to describe the thermodynamics of binary lipid mixtures by mapping coarse-grained molecular dynamics systems to two-dimensional simple fluid mixtures. |
Dry granular material flowing on rough inclines can experience a self-induced Rayleigh-Taylor (RT) instability followed by the spontaneous emergence of convection cells. For this to happen, particles are different in size and density, the larger particles are the denser but still segregate toward the surface. |
We present a new class of thermal ratchets operating under the action of a symmetry breaking non-Hermitian perturbation which rectifies thermal fluctuations, and driven by a unbiased periodic force. The peculiar non-Hermitian dynamics which follows causes energy transduction from the force to the system in such a way ... |
We introduce a coarse-grained description of the surface energy of a nematic liquid crystal. The thermal fluctuations of the nematic director close to the surface renormalize at macroscopic scales the bare surface potential in a temperature-dependent way. |
Employing theory and numerical simulations, we demonstrate discontinuous force thinning due to the motion of an external probe in a host medium, which we approximate as structureless. When the driving of the probe exceeds a critical force, the microviscosity of the medium drops abruptly by about an order of magnitude.... |
Recently [3] predicted the existence of an intriguing new phenomenon. It was shown that if temperature is suddenly raised at the surface of a sphere the temperature in the interior initially decreases. |
In this paper, based on the effective intermolecular potential with well separated density and configuration contributions and the definition of the isothermal bulk modulus, we derive two similar equations of state dedicated to describe volumetric data of supercooled liquids studied in the extremely wide pressure range... |
I show how flexoelectricity result in a fluctuating surface electric potential when elastic solids with random roughness are squeezed into contact. The flexoelectric potential may induce surface charge distributions and hence contribute to triboelectricity. |
We use a series of molecular dynamics simulations, and analytical theory, to demonstrate that a system of hard spheres confined to a narrow cylindrical channel exhibits a continuous phase transition from an isotropic fluid at low densities, to an orientationally ordered, but translationally disordered, helical fluid at... |
Bottom-up coarse-grained (CG) models proved to be essential to complement and sometimes even replace all-atom representations of soft matter systems and biological macromolecules. The development of low-resolution models takes the moves from the reduction of the degrees of freedom employed, that is, the definition of ... |
When a droplet (which size is characterized by R) is confined between two parallel planes, its morphology will change accordingly to either varying the volume of the droplet or the separation (characterized by h) between the planes. We are aiming at investigating how such a geometric confinement affects the wetting be... |
A simple theory is proposed for the dispersive molecular binding of unusually high magnitude due to an enhanced polarizability. Two alternative ways have so far been considered in the literature leading to the polarizability enhancement: |
The interactions of a hydrophilic surface with water can significantly influence the characteristics of the liquid water interface. In this manuscript, we explore this influence by studying the molecular structure of liquid water at a disordered surface with tunable surface-water interactions. |
In the absence of coalescence, coarsening of emulsions (and foams) is controlled by molecular diffusion of dispersed phase between droplets/bubbles. Studies of dilute emulsions have shown how the osmotic pressure of a trapped species within droplets can ``osmotically stabilise'' the emulsion. |
The detachment of material in an adhesive wear process is driven by a fracture mechanism which is controlled by a critical length-scale. Previous efforts in multi-asperity wear modeling have applied this microscopic process to rough elastic contact. |
We investigate the translocation dynamics of a folded linear polymer which is pulled through a nanopore by an external force. To this end, we generalize the iso-flux tension propagation (IFTP) theory for end-pulled polymer translocation to include the case of two segments of the folded polymer traversing simultaneousl... |
I provide analytical or semi-analytical expressions for the small-angle scattering of colloidal objects that can be described as curved plates. These models could help characterize a variety of inorganic or biological systems. |
We deduce an overcomplete free energy functional for D=1 particle systems with next neighbor interactions, where the set of redundant variables are the local block densities $\varrho_i$ of $i$ interacting particles. The idea is to analyze the decomposition of a given pure system into blocks of $i$ interacting particle... |
We explore the possibility for the native state of a protein being inherently a multi-conformation state in an ab initio coarse-grained model. Based on the Wang-Landau algorithm, the complete free energy landscape for the designed sequence 2D4X: INYWLAHAKAGYIVHWTA is constructed. |
Latest since the landmark studies of Kovacs and co-workers on the glass transition of polymers, it is clear that thermally induced volume changes are of central importance for the understanding of the nature of the glass transition. Due to the kinetic background of the canonical (thermal) glass transition, it does not... |
We expose thick polymer foam tissue scaffolds to high power ultrasound and study its effect on the openness of the pore architecture and fluid transport through the scaffold. Our analysis is supported by measurements of fluid uptake during insonification and imaging of the scaffold microstructure via x-ray computed to... |
We study edge fluctuations of a flat colloidal membrane comprised of a monolayer of aligned filamentous viruses. Experiments reveal that a peak in the spectrum of the in-plane edge fluctuations arises for sufficiently strong virus chirality. |
We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electrical connections are implemented as tunneling processes, leading to a more detailed and realistic description than a discontinuous percolatio... |
We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the CST can change monotonically or non-monotonically with copolymeri... |
We study defect modes of a Bose-Einstein condensate in an optical lattice with a localized defect within the framework of the one-dimensional Gross-Pitaevskii equation. It is shown that for a significant range of parameters the defect modes can be accurately described by an expansion over Wannier functions, whose enve... |
We present a theoretical model for predicting the phase behavior of polymer solutions in which phase separation competes with oligomerization. Specifically, we consider scenarios in which the assembly of polymer chains into stoichiometric complexes prevents the chains from phase-separating via attractive polymer-polym... |
The elementary topological T1 process in a two-dimensional foam corresponds to the "flip" of one soap film with respect to the geometrical constraints. <br>From a mechanical point of view, this T1 process is an elementary relaxation process through which the entire structure of an out-of-equilibrium foam evolv... |
Simulations of colloidal suspensions consisting of mesoscopic particles and smaller species such as ions or depletants are computationally challenging as different length and time scales are involved. Here, we introduce a machine learning (ML) approach in which the degrees of freedom of the microscopic species are int... |
We report on the stress response of gyroidal and lamellar amphiphilic mesophases to steady shear simulated using a bottom-up lattice-Boltzmann model for amphiphilic fluids and sliding periodic (Lees-Edwards) boundary conditions. We study the gyroid per se (above the sponge-gyroid transition, of high crystallinity) and... |
We propose a minimal model for spherical proteins with aeolotopic pair interactions to describe the equilibrium phase behavior of lysozyme. The repulsive screened Coulomb interactions between the particles are taken into account assuming that the net charges are smeared out homogeneously over the spherical protein sur... |
We present simulations on a binary blend of bead-spring polymer chains. The introduction of monomer size disparity yields very different relaxation times for each component of the blend. |
Animals achieve robust locomotion by offloading regulation from the brain to physical couplings within the body. In contrast, locomotion in artificial systems often depends on centralized processors. |
The role of sound in the dynamics of mesoscale systems is typically neglected, since frequently the associated time scales are much smaller than all the other time scales of interest. However, for sufficiently small objects embedded in a solvent with a sufficiently small sound velocity, sound can play a crucial role. |
Application of the principle of energy balance to a rigid indenter in contact with elastic layer on a flat rigid substrate provides a very simple derivation of the detachment criterion which earlier has been obtained by much more complicated asymptotic analysis. This criterion allows calculating the adhesive strength ... |
Motivated by the intriguing phase behavior of charged colloidal platelets, we investigate the structure and dynamics of charged repulsive disks by means of Monte-Carlo simulations. The electrostatic interactions are taken into account through an effective two-body potential, obtained within the non-linear Poisson-Bolt... |
We show that the flow of granular material inside a 2-dimensional flat bottomed hopper is altered significantly by having more than one exit orifice. For the hoppers with small orifice widths, inter-mittent flow through one orifice enables the resumption of flow through the adjacent jammed orifice, thus displaying a s... |
Tactoids are spindle shaped-droplets of a uniaxial nematic phase suspended in the co-existing isotropic phase. They are found in dispersions of a wide variety of elongated colloidal particles, including actin, fd virus, carbon nanotubes, vanadium peroxide and chitin nanocrystals. |
Isolated mechanical systems -- e.g., those floating in space, in free-fall, or on a frictionless surface -- are able to achieve net rotation by cyclically changing their shape, even if they have no net angular momentum. Similarly, swimmers immersed in "perfect fluids" are able to use cyclic shape changes to bo... |
Topological protection allows robust transport of localized phenomena such as quantum information, solitons, and dislocations. The transport can be either dissipative or non-dissipative. |
In this paper, we discuss the equilibrium phases and collapse transitions of a lyotropic nematic gel immersed in an isotropic solvent. A nematic gel consists of a cross-linked polymer network with rod-like molecules embedded in it. |
We have performed a simulation study of the social network arising from dancing partner selection in Tango Argentino. Tango Argentino is a famous intellectual dance which combines individualistic behaviour with consensual social rules, generating complex patterns of network behaviour in time. |
We investigate the behavior of amorphous silicon under hydrostatic compression using molecular simulations. During compression, amorphous silicon undergoes a discontinuous nonequilibrium transition from a low-density to a high-density structure at a pressure of around $13$-$16$~GPa. |
Using positional data from video-microscopy we determine the elastic moduli of two-dimensional colloidal crystals as a function of temperature. The moduli are extracted from the wave-vector-dependent normal mode spring constants in the limit $q\to 0$ and are compared to the renormalized Young's modulus of the KTHN... |
The effect of shear flows on the thermal conductivity of polymer melts is investigated using a reversed nonequilibrium molecular dynamics (RNEMD) method. We extended the original RNEMD method to simultaneously produce spatial gradients of temperature and flow velocity in a single direction. |
Recent works indicate that heterogeneous response and non-Markovianity may yield recognizable hallmarks in the microrheology of semisolid viscoelastic materials. Here we perform numerical simulations using a non-Markovian overdamped Langevin approach to explore how the microrheology experienced by probe particles imme... |
Conformations of a single-component bottle-brush polymer with a fully flexible backbone under poor solvent conditions are studied by molecular-dynamics simulations, using a coarse-grained bead-spring model with side chains of up to N=40 effective monomers. By variation of the solvent quality and the grafting density $... |
The biaxial smectic-A* (Sm-A_B*) phase, appearing in the phase sequence Sm-A*--Sm-A*_B--Sm-C*, is analyzed using Landau theory. It is found to possess a helical superstructure with a pitch that is significantly shorter than the pitch of the Sm-C* helical superstructure. |
The viscosity of lipid bilayer membranes plays an important role in determining the diffusion constant of embedded proteins and the dynamics of membrane deformations, yet it has historically proven very difficult to measure. Here we introduce a new method based on quantification of the large-scale circulation patterns... |
In contrast with ordinary materials, living matter drives its own motion by generating active, out-of-equilibrium internal stresses. These stresses typically originate from localized active elements embedded in an elastic medium, such as molecular motors inside the cell or contractile cells in a tissue. |
We review the nature of superfluid ground states and the universality of their properties with emphasis to Bose Einstein Condensate systems in atomic physics. We then study the superfluid Mott transition in such systems. |
The shape deformation of a three-dimensional axisymmetric vesicle with encapsulated filaments or impurities is analyzed by integrating a dissipation dynamics. This method can incorporate systematically the constraint of a fixed surface area and/or a fixed volume. |
In systems characterized by a rough potential energy landscape, local energetic minima and saddles define a network of metastable states whose topology strongly influences the dynamics. Changes in temperature, causing the merging and splitting of metastable states, have non trivial effects on such networks and must be... |
For single-file translocations of a charged macromolecule through a narrow pore, the crucial step of arrival of an end at the pore suffers from free energy barriers, arising from changes in intrachain electrostatic interaction, distribution of ionic clouds and solvent molecules, and conformational entropy of the chain.... |
We investigate the formation and transport of gas bubbles across a model porous catalyst/electrode using lattice Boltzmann simulations. This approach enables us to systematically examine the influence of a wide range of morphologies, flow velocities, and reaction rates on the efficiency of gas production. |
Accurate distance measurement in 3D confocal microscopy is important for quantitative analysis, volume visualization and image restoration. However, axial distances can be distorted by both the point spread function and by a refractive-index mismatch between the sample and immersion liquid, which are difficult to sepa... |
Water is vital for life, and without it biomolecules and cells cannot maintain their structures and functions. The remarkable properties of water originate from its ability to form hydrogen-bonding networks and dynamics, which the connectivity constantly alters because of the orientation rotation of individual water m... |
An efficient description of the structures of liquids and, in particular, the structural changes that happen with liquids on supercooling remains to be a challenge. The systems composed of soft particles are especially interesting in this context because they often demonstrate non-trivial local orders that do not allo... |
The glass transition temperature $T_g$ and the temperature $T_{\alpha}$ corresponding to the peak in the dielectric loss due to the $\alpha$-process have been simultaneously determined as functions of film thickness $d$ through dielectric measurements for thin films of polystyrene. A decrease of $T_g$ was observed wit... |
Self-consistent solution of charge injection and transport in low mobility LEDs is reported . We show that explicit description of the contact region under the same premise as transport equation is needed to accurately evaluate the current-voltage characteristics of polymer or small-molecule based LEDs . |
Critical Casimir forces emerge between objects, such as colloidal particles, whenever their surfaces spatially confine the fluctuations of the order parameter of a critical liquid used as a solvent. These forces act at short but microscopically large distances between these objects, reaching often hundreds of nanomete... |
This paper presents a study of the polymer-filler interfacial effects on filler dispersion and mechanical reinforcement in Polystyrene (PS) / silica nanocomposites by direct comparison of two model systems: un-grafted and PS-grafted silica dispersed in PS matrix. The structure of nanoparticles has been investigated by... |
Investigating the behavior of amorphous solids under various external loading conditions continues to be an intriguing area of research with significant practical implications. In this study, we demonstrate the utilization of self-motility as a means to anneal glasses and use that as a means to fine-tune the failure m... |
Perception-reaction delays have experimentally been found to cause a spontaneous circling of microswimmers around a targeted center. Here we investigate the many-body version of this experiment with Brownian-dynamics simulations of active particles in a plane. |
Whereas disclination defects are energetically prohibitive in two-dimensional flat crystals, their existence is necessary in crystals with spherical topology, such as viral capsids, colloidosomes or fullerenes. Such a geometrical frustration gives rise to large elastic stresses, which render the crystal unstable when ... |
We investigate the time-dependent nonlinear optical absorption of a clay dispersion (Laponite) in organic dye (Rhodamine B) water solution displaying liquid-arrested state transition. Specifically, we determine the characteristic time $\tau_D$ of the nonlinear susceptibility build-up due as to the Soret effect. |
Modeling dislocations is an inherently multiscale problem as one needs to simultaneously describe the high stress fields near the dislocation cores, which depend on atomistic length scales, and a surface boundary value problem which depends on boundary conditions on the sample scale. We present a novel approach which ... |
We discuss the microscopic origin of dynamical instabilities and segregation patterns discovered in granular mixtures under oscillating horizontal shear, by investigating, via molecular dynamics simulations, the effective interaction between like-particles. This turns out to be attractive at short distances and strong... |
Using a simple mean-field density functional theory theory (DFT), we investigate the structure and phase behaviour of a model colloidal fluid composed of particles interacting via a pair potential which has a hard core of diameter $\sigma$, is attractive Yukawa at intermediate separations and repulsive Yukawa at large ... |
The Herschel-Bulkley law, a universal constitutive relation, has been empirically known to be applicable to a vast range of soft materials, including sheared glasses. Although the Herschel- Bulkley law has attracted public attention, its structural origin has remained an open question. |
The kinetics of the assembly of semiflexible filaments through end-to-end annealing is key to the structure of the cytoskeleton, but is not understood. We analyze this problem through scaling theory and simulations, and uncover a regime where filaments ends find each other through bending fluctuations without the need... |
A surprising phenomenon is presented: a bubble, produced from water electrolysis, is immobilized in the liquid (as if the Archimedes' buoyant force were annihilated). This is achieved using a nanoelectrode (1 nm to 1 $\mu$m of curvature radius at the apex) and an alternating electric potential with adapted values ... |
Nature provides examples of self-assemble lightweight disordered network structures with remarkable mechanical properties which are desirable for many applications purposes but challenging to reproduce artificially. Previous experimental and computational studies investigated the mechanical responses of random network... |
Image charge effect is a fundamental problem in electrostatics. However, a proper treatment at the continuum level for many-ion systems, such as electrolyte solutions or ionic liquids, remains an open theoretical question. |
For soft matter to form quasicrystals an important ingredient is to have two characteristic lengthscales in the interparticle interactions. To be more precise, for stable quasicrystals, periodic modulations of the local density distribution with two particular wavenumbers should be favored, and the ratio of these wave... |
We study axially symmetrical 3D skyrmionic particles (torons, hopfions) in a thin homeotropic cell filled with a cholesteric liquid crystal. In this case, the contribution of the chirality term on far distances becomes small and a 3D skyrmion can be described as a very specific particle in nematic with multipole momen... |
Cooperative events requiring anomalously large fluctuations are a defining characteristic for the onset of glassy relaxation across many materials. The importance of such intermittent events has been noted in systems as diverse as superconductors, metallic glasses, gels, colloids, and granular piles. |
A rope laid on the ground with one end subjected to time-dependent forcing is proposed as a prototypical elastic dynamical contact problem, which we study analytically, numerically, and experimentally. The dynamics is governed by an infinite set of linear and nonlinear resonances. |
The progressive onset of slip at the wall, which corresponds to a slip length increasing with the solicitation time before reaching a plateau, has been investigated for model viscoelastic polymer solutions, allowing one to vary the longest relaxation time while keeping constant solid - fluid interactions. A hydrodynam... |
Polymer architecture plays critical roles in both bulk rheological properties and microscale macromolecular dynamics in entangled polymer solutions and composites. Ring polymers, in particular, have been the topic of much debate due to the inability of the celebrated reptation model to capture their observed dynamics.... |
Self-folding origami has emerged as a tool to make functional objects in material science. The common idea is to pattern a sheet with creases and activate them to have the object fold spontaneously into a desired configuration. |
Quasicrystals are intriguing ordered structures characterized by the lack of translational symmetry and the existence of rotational symmetry. The tiling of different geometric units such as triangles and squares in two-dimensional space can result in a great variety of quasicrystals that could be realized by the self-... |
Durable interfacing of hard and soft materials is a major design challenge caused by the ensuing stress concentrations. In nature, soft-hard interfaces exhibit remarkable mechanical performance, with failures rarely happening at the interface but in the hard or soft material. |
A competition of incommensurate symmetries occurs whenever a system is forced to conform to an ordering that is different from the intrinsically preferred structure of the system itself. As a model system of such a competition, we study the rivalry between the triangular ordering of hard disks and the square symmetry ... |
We use computer simulations and simple theoretical models to analyze the morphologies that result when rod-like particles end-attach onto a curved surface, creating a finite-thickness monolayer aligned with the surface normal. This geometry leads to two forms of frustration, one associated with the incompatibility of ... |
Semi-flexible manifolds such as fluid membranes or semi-flexible polymers undergo delocalization transitions if they are subject to attractive interactions. We study manifolds with short-ranged interactions by field-theoretic methods based on the operator product expansion of local interaction fields. |
Inwardly curved polymer brushes are present in cylindrical and spherical micelles or in membranes tubes and vesicles decorated with anchored polymers, and influence their stability. We consider such polymer brushes in good solvent and show that previous works, based on a self-similar concentric structure of the brush,... |
We examine numerically the distribution function $f_K(r)$ of distance $r$ between opposite polygonal nodes for random polygons of $N$ nodes with a fixed knot type $K$. Here we consider three knots such as $\emptyset$, $3_1$ and $3_1 \sharp 3_1$. |
To study the possibility of a fluid-fluid phase transition, we analyze a three-dimensional soft-core isotropic potential for a one-component system. We utilize two independent numerical approaches, |
We generalize previous approach of Khrapak and Morfill [J. Chem. |
We show that the density and temperature dependences of the $\alpha$-relaxation time of several glassforming polymers can be described through a single scaling variable $X=e(\rho)/T$, where $e(\rho)$ is well fitted by a power law $\rho^x$, $x$ being a species-specific parameter. This implies that ``fragility''... |
We present in this letter an experimental characterization of liquid flow slippage over superhydrophobic surfaces made of carbon nanotube forests, incorporated in microchannels. We make use of a micro-PIV (Particule Image Velocimetry) technique to achieve the submicrometric resolution on the flow profile necessary for... |
Adsorption of fibrinogen on positively charged microspheres was theoretically and experimentally studied. The structure of monolayers and the maximum coverage were determined by applying the experimental measurements at pH=3.5 and 9.7 for NaCl concentration in the range of $10^{-3}- 0.15$ M. The maximum coverage of fi... |
We consider the phase behavior of two-dimensional ($2D$)system of particles with an isotropic core-softened potential introduced in our previous publications. As one can expect from the qualitative consideration for the three dimensional case, the system demonstrates a reentrant-melting transition at low densities alo... |
We report an experimental study of 2D dipole clusters formed by small magnetic particles floating at the air-water interface. The particles form hexagonally ordered clusters due to interplay between dipole-dipole repulsion and confining external forces. |
Magnetic composite materials i.e. elastomers, polymer gels, or polymer solutions with embedded magnetic nanoparticles are useful for many technical and bio-medical applications. However, the microscopic details of the coupling mechanisms between the magnetic properties of the particles and the mechanical properties of... |
We examine the conformations of a model for under- and overwound DNA. The molecule is represented as a cylindrically symmetric elastic string subjected to a stretching force and to constraints corresponding to a specification of the link number. |
The pair-distribution function, which provides information about correlations in a system of interacting particles, is one of the key objects of theoretical soft matter physics. In particular, it allows for microscopic insights into the phase behavior of active particles. |
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