The equations of motion active systems can be modeled in terms Ornstein-Uhlenbeck processes (OUPs) with appropriate correlators. For further theoretical studies, these should approximated to yield a Markovian picture for the dynamics and simplified steady-state condition. We perform comparative study Unified Colored Noise Approximation (UCNA) approximation scheme by Fox recently employed within this context. review approximations necessary define effective interaction potentials low-density...

Phase transitions have an essential role in the assembly of nature's protein-based materials into hierarchically organized structures, yet many underlying mechanisms and interactions remain to be resolved. A central question for designing proteins is how protein architecture sequence affects nature phase resulting assembly. In this work, we produced 82 kDa (1×), 143 (2×), 204 (3×) silk-mimicking by taking advantage ligation SpyCatcher/Tag protein-peptide pair. We show that three silk all...

We investigate the mean first passage time of an active Brownian particle in one dimension using numerical simulations. The activity is modeled as a two state model; moves with constant propulsion strength but its orientation switches from to other random telegraphic process. study influence finite resetting rate $r$ on fixed target single free Active Particle and map this result effective diffusion As case passive particle, we can find optimal $r^*$ for which found minimum average time. In...

The classical dynamical density functional theory (DDFT) provides an approximate extension of equilibrium DFT to treat nonequilibrium systems subject Brownian dynamics. However, the method fails when applied driven systems, such as sheared colloidal dispersions. breakdown DDFT can be traced back inadequate treatment flow-induced distortion pair correlation functions. By considering correlations second order in flow-rate we show how systematically correct for systems. As application our...

Nature has already suggested bioinspired functions. Beyond them, adaptive and trainable functions could be the inspiration for novel responsive soft matter beyond state-of-the-art classic static bioinspired, stimulus-responsive, shape-memory materials. Here, we describe magnetic assembly/disassembly of electrically conducting ferromagnetic nickel colloidal particles into surface topographical pillars bistable electrical memories. They allow sensing with adaptable rescalable sensitivity...

Abstract Recombinant silk proteins provide a route toward sustainable and biocompatible materials. For making such materials, the assembly process from dilute protein into functional material is central. The mechanism in engineered materials by necessity different natural ones—this poses challenges but also opens opportunities for scaling up developing novel properties. phase behavior of mini‐spidroin, NT‐2Rep‐CT studied, which widely studied variant recombinant silk. can be triggered to...

The degree of polymerization amphiphilic di-block co-polymers, which can be varied with ease in computer simulations, provides a means to control self-assembling co-polymer coatings on hydrophilic substrates.We examine self-assembly linear co-polymers surface via dissipative particle dynamics simulations. system models glucose based polysaccharide random styrene and n-butyl acrylate, as the hydrophobic block, starch, forms film. Such setups are common e.g. hygiene, pharmaceutical, paper...

At sufficiently high shear, colloidal suspensions exhibit a distinct behavior called laning, in which they self-organize into strings or layers of particles to facilitate flow. This paper presents linear stability analysis the dynamical density functional theory with kernel that accounts for lateral effect particle collisions. It is possible extract dispersion relation suspension and, thus, predict onset laning behavior.

Activity significantly enhances the escape rate of a Brownian particle over potential barrier. Whereas constant activity has been extensively studied in past, little is known about effect time-dependent on particle. In this paper, we study problem for that transiently active; decreases rapidly during process. Using effective equilibrium approach, analytically calculate under assumption either completely passive or fully active when crossing We perform numerical simulations process one...

Spontaneous self-assembly in molecular systems is a fundamental route to both biological and engineered soft matter. Simple micellization, emulsion formation, polymer mixing are well understood. However, the principles behind emergence of structures with competing length scales matter remain unknown. Examples include droplet-inside-droplet assembly many biomacromolecular undergoing liquid-liquid phase separation, analogous multiple formation oil-surfactant-water formulations, core-shell...

Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how addition to valency, shape concentration be harnessed as tools control rigid like-charged PE-PE We demonstrate a correlation between orientational ordering of aspherical they mediate effective attraction induced by multivalency. The interaction...

Dissipative particle dynamics simulations are employed to examine the self-assembly of a three-component polymeric coating on hydrophilic surface. The examined suspension is composed an amphiphilic di-block co-polymer, hydrophobic polymer, and stabilizer in water. For technological relevance, basis polymer contents correspond poly(styrene-co-n-butyl acrylate) starch, respectively, while surface resembles unmodified cellulose. We show that co-polymer key controlling assembling structure:...

Abstract Condensates are molecular assemblies that formed through liquid–liquid phase separation and play important roles in many biological processes. The rational design of condensate formation their properties is central to applications, such as biosynthetic materials, synthetic biology, for understanding cell biology. Protein engineering used make a triblock structure with varying terminal blocks folded proteins on both sides an intrinsically disordered mid‐region. Dissociation constants...

It is well established that when multivalent counterions or salts are added to a solution of highly charged polyelectrolytes (PEs), correlation effects can cause charge inversion the PE, leading electrophoretic mobility (EM) reversal. In this work, we use coarse-grained molecular-dynamics simulations unravel less understood effect coion valency on EM reversal for rigid DNA-like PEs. We find induced by suppressed with increasing in salt and eventually vanishes. Further, enhanced at fixed low...

This review overviews common biopolymer modelling approaches ranging from chemically specific to highly coarse-grained techniques, along with their application ranges, strengths and limitations. Recent applications at each scale are outlined discussed. The focus is on of protein peptide, nucleic acid saccharide-based systems, excluding lignocellulose materials. survey focuses physics-based models. We cover particle-based simulations methods, including all-atom molecular dynamics (MD),...

In this study, evaporation-induced size segregation and interparticle interactions are harnessed to tune the microstructure of photocatalytic colloidal coatings containing TiO

We examine the interactions between polyelectrolytes (PEs) and uncharged substrates under conditions corresponding to a dielectric discontinuity aqueous solution substrate. To this end, we vary relevant system characteristics, in particular substrate constant ɛs different salt conditions. employ coarse-grained molecular dynamics simulations with rodlike PEs solutions explicit ions implicit water solvent ɛw = 80. As expected, at low concentrations, are repelled from < but attracted...

For a system of Brownian particles interacting via soft exponential potential we investigate the interaction between equilibrium crystallisation and spatially varying shear flow. thermodynamic state points within liquid part phase diagram, but close to boundary, observe that imposing Poiseuille flow can induce nonequilibrium crystalline ordering in regions low gradient. The physical mechanism responsible for this phenomenon is shear-induced particle migration, which causes drift...

The effects of particle interactions on the size segregation and assembly colloidal mixtures during drying were investigated. A cationic surfactant was added to a binary latex/silica dispersion that has been shown self-stratify upon at room temperature. Atomic force microscopy used show change in due presence surfactants reduced degree stratification and, some cases, suppressed effect altogether. Colloidal dispersions containing higher concentrations can undergo complete morphology change,...

Electrophoretic (EP) mobility reversal is commonly observed for strongly charged macromolecules in multivalent salt solutions. This curious effect takes place, e.g., when a polymer, such as DNA, adsorbs excess counterions so that the counterion-dressed surface charge reverses its sign, leading to inversion of polymer drift driven by an external electric field. In order characterize this seemingly counterintuitive phenomenon cannot be captured electrostatic mean-field theories, we adapt here...

Self-assembly of dioctyl sodium sulfosuccinate (AOT) model surfactant in solvents with different polarities examined via dissipative particle dynamics simulations.

We use the recently developed soft-potential-enhanced Poisson-Boltzmann (SPB) theory to study interaction between two parallel polyelectrolytes (PEs) in monovalent ionic solutions weak-coupling regime. The SPB is fitted ion distributions from coarse-grained molecular dynamics (MD) simulations and benchmarked against all-atom MD modelling for poly(diallyldimethylammonium) (PDADMA). show that able accurately capture interactions PEs at distances beyond PE radius. For PDADMA positional...