In micellar surfactant solutions, changes in the total number of micelles are rare events that can occur by either of two mechanisms—by stepwise association and dissociation via insertion and expulsion of individual molecules or by fission and fusion of entire micelles. Molecular dynamics simulations are used here to estimate rates of these competing mechanisms in a simple model of block copolymer micelles in homopolymer solvent. This model exhibits a crossover with increasing degree of repulsion between solvent and micelle core components, from a regime dominated by association and dissociation to a regime dominated by fission and fusion.

Recent experiments with rotational diffusion of a probe in a vibrated granular media revealed a rich scenario, ranging from a dilute gas to a dense liquid with cage effects and an unexpected superdiffusive behavior at large times. Here we set up a simulation that reproduces quantitatively the experimental observations and allows us to investigate the properties of the host granular medium, a task not feasible in the experiment. We discover a persistent collective rotational mode which emerges at a high density and a low granular temperature: a macroscopic fraction of the medium slowly rotates, randomly switching direction after very long times. Such a rotational mode of the host medium is the origin of the probe’s superdiffusion. Collective motion is accompanied by a kind of dynamical heterogeneity at intermediate times (in the cage stage) followed by a strong reduction of fluctuations at late times, when superdiffusion sets in.

Optical tweezers microrheology (OTM) offers a powerful approach to probe the nonlinear response of complex soft matter systems, such as networks of entangled polymers, over wide-ranging spatiotemporal scales. OTM can also uniquely characterize the microstructural dynamics that lead to the intriguing nonlinear rheological properties that these systems exhibit. However, the strain in OTM measurements, applied by optically forcing a microprobe through the material, induces network inhomogeneities in and around the strain path, and the resultant flow field complicates the measured response of the system. Through a robust set of custom-designed OTM protocols, coupled with modeling and analytical calculations, we characterize the time-varying inhomogeneity fields induced by OTM measurements. We show that homogenization following strain does not interfere with the intrinsic stress relaxation dynamics of the system, rather it manifests as an independent component in the stress decay, even in highly nonlinear regimes such as with the microrheological large-amplitude-oscillatory-shear (MLAOS) protocols we introduce. Our specific results show that Rouse-like elastic retraction, rather than disentanglement and disengagement, dominates the nonlinear stress relaxation of entangled polymers at micro- and mesoscales. Thus, our study opens up possibilities of performing precision nonlinear microrheological measurements, such as MLAOS, on a wide range of complex macromolecular systems.

The brain requires diverse segregated and integrated processing to perform normal functions in terms of anatomical structure and self-organized dynamics with critical features, but the fundamental relationships between the complex structural connectome, critical state, and functional diversity remain unknown. Herein, we extend the eigenmode analysis to investigate the joint contribution of hierarchical modular structural organization and critical state to brain functional diversity. We show that the structural modes inherent to the hierarchical modular structural connectome allow a nested functional segregation and integration across multiple spatiotemporal scales. The real brain hierarchical modular organization provides large structural capacity for diverse functional interactions, which are generated by sequentially activating and recruiting the hierarchical connectome modes, and the critical state can best explore the capacity to maximize the functional diversity. Our results reveal structural and dynamical mechanisms that jointly support a balanced segregated and integrated brain processing with diverse functional interactions, and they also shed light on dysfunctional segregation and integration in neurodegenerative diseases and neuropsychiatric disorders.

The motion of active polymers in a two-dimensional porous medium is shown to depend critically on flexibility, activity, and degree of polymerization. For a given Péclet number, we observe a transition from localization to diffusion as the stiffness of the chains is increased. Whereas stiff chains move almost unhindered through the porous medium, flexible ones spiral and get stuck. Their motion can be accounted for by the model of a continuous time random walk with a renewal process corresponding to unspiraling. The waiting time distribution is shown to develop heavy tails for decreasing stiffness, resulting in subdiffusive and ultimately caged behavior.

Polarity fields are known to exhibit long distance patterns, in both physical and biological systems. The mechanisms behind such patterns are poorly understood. Here, we describe the dynamics of polarity fields using an original physical model that generalizes classical spin models on a lattice by incorporating effective transport of polarity molecules between neighboring sites. We account for an external field and for ferromagnetic interactions between sites and prescribe the time evolution of the system using two distinct dissipative classes for nonconserved and conserved variables representing polarity orientation and magnitude, respectively. We observe two main types of steady-state configurations—disordered configurations and patterns of highly polar spots surrounded by regions with low polarity—and we characterize patterns and transitions between configurations. Our results may provide alternative pattern-generating mechanisms for materials endowed with polarity fields.

We study the noise-driven escape of active Brownian particles (ABPs) and run-and-tumble particles (RTPs) from confining potentials. In the small noise limit, we provide an exact expression for the escape rate in terms of a variational problem in any dimension. For RTPs in one dimension, we obtain an explicit solution, including the first subleading correction. In two dimensions we solve the escape from a quadratic well for both RTPs and ABPs. In contrast to the equilibrium problem we find that the escape rate depends explicitly on the full shape of the potential barrier, and not only on its height. This leads to a host of unusual behaviors. For example, when a particle is trapped between two barriers it may preferentially escape over the higher one. Moreover, as the self-propulsion speed is varied, the escape route may discontinuously switch from one barrier to the other, leading to a dynamical phase transition.

We calculate the force between two spherical metal nanoparticles of charge $Q_1$ and $Q_2$ in a dilute $1:1$ electrolyte solution. Numerically solving the nonlinear Poisson-Boltzmann equation, we find that metal nanoparticles with the same sign of charge can attract one another. This is fundamentally different from what is found for like-charged, nonpolarizable, colloidal particles, the two-body interaction potential for which is always repulsive inside a dilute $1:1$ electrolyte. Furthermore, the existence of like-charge attraction between spherical metal nanoparticles is even more surprising in view of the result that such attraction is impossible between parallel metal slabs, showing the fundamental importance of curvature. To overcome a slow convergence of the numerical solution of the full nonlinear Poisson-Boltzmann equation, we developed a modified Derjaguin approximation which allows us to accurately and rapidly calculate the interaction potential between two metal nanoparticles or between a metal nanoparticle and a phospholipid membrane.

Time- and temperature-resolved neutron reflectometry allowed us to perform the real-time characterization of the structural changes taking place across phase transitions in solid supported-lipid bilayers (SLBs). We identified the presence of an isothermal phase transition, characterized by a symmetrical rearrangement of lipid molecules in both bilayer leaflets, followed by the main thermotropic phase transition, and characterized by an independent melting of the two leaflets. We demonstrated that the presence of a substrate increases the enthalpy of melting by the same amount for both SLB leaflets with respect to the values reported for freestanding bilayers. These results are highly relevant for the further understanding of cooperative structural dynamics in SLBs and for the investigation of thermally activated processes such as the transmembrane lipid translocation (flip flop).

Combining high-resolution single cell tracking experiments with numerical simulations, we show that starvation-induced fruiting body formation in Myxococcus xanthus is a phase separation driven by cells that tune their motility over time. The phase separation can be understood in terms of cell density and a dimensionless Péclet number that captures cell motility through speed and reversal frequency. Our work suggests that M. xanthus takes advantage of a self-driven nonequilibrium phase transition that can be controlled at the single cell level.

The recoverable strain is shown to correlate to the temporal evolution of microstructure via time-resolved small-angle neutron scattering and dynamic shear rheology. Investigating two distinct polymeric materials of wormlike micelles and fibrin network, we demonstrate that, in addition to the nonlinear structure-property relationships, the shear and normal stress evolution is dictated by the recoverable strain. A distinct sequence of physical processes under large amplitude oscillatory shear (LAOS) is identified that clearly contains information regarding both the steady-state flow curve and the linear-regime frequency sweep, contrary to most interpretations that LAOS responses are either distinct from or somehow intermediate between the two cases. This work provides a physically motivated and straightforward path to further explore the structure-property relationships of viscoelastic materials under dynamic flow conditions.

Collective behavior in large ensembles of dynamical units with nonpairwise interactions may play an important role in several systems ranging from brain function to social networks. Despite recent work pointing to simplicial structure, i.e., higher-order interactions between three or more units at a time, their dynamical characteristics remain poorly understood. Here we present an analysis of the collective dynamics of such a simplicial system, namely coupled phase oscillators with three-way interactions. The simplicial structure gives rise to a number of novel phenomena, most notably a continuum of abrupt desynchronization transitions with no abrupt synchronization transition counterpart, as well as extensive multistability whereby infinitely many stable partially synchronized states exist. Our analysis sheds light on the complexity that can arise in physical systems with simplicial interactions like the human brain and the role that simplicial interactions play in storing information.

Creasing instability is ubiquitous in soft solids; however, its inception remains enigmatic as it cannot be captured by the standard linearization techniques. It also does not fit the conventional picture of a barrier-crossing nucleation, and instead carries some features of a second order phase transition. Here we show that despite its fundamentally nonlinear nature, creasing has its origin in marginal stability which is, however, obscured by the dominance of long-range elastic interactions. We argue that despite its supercritical (soft) character, creasing bifurcation can be identified by the condition that the (generalized) driving force acting on an incipient stress singularity degenerates. The analytic instability criterion, obtained in this way, shows an excellent agreement with both physical experiments and direct numerical simulations.

Soft topological surface phonons in idealized ball-and-spring lattices with coordination number $z=2d$ in $d$ dimensions become finite-frequency surface phonons in physically realizable superisostatic lattices with $z>2d$. We study these finite-frequency modes in model lattices with added next-nearest-neighbor springs or bending forces at nodes with an eye to signatures of the topological surface modes that are retained in the physical lattices. Our results apply to metamaterial lattices, prepared with modern printing techniques, that closely approach isostaticity.

The enormous catalytic power of natural enzymes relies on the ability to overcome the bottleneck event in the enzymatic cycle, yet the underlying physical mechanisms are not fully understood. Here, by performing molecular simulations of the whole enzymatic cycle for a model multisubstrate enzyme with a dynamic energy landscape model, we show that multisubstrate enzymes can utilize steric frustration to facilitate the rate-limiting product-release step. During the enzymatic cycles, the bottleneck product is actively squeezed out by the binding of a new substrate at the neighboring site through the population of a substrate-product cobound complex, in which the binding pockets are frustrated due to steric incompatibility. Such steric frustration thereby enables an active mechanism of product release driven by substrate-binding energy, facilitating the enzymatic cycle.

In equilibrium the interface potential that describes the interaction between two AB interfaces in a binary blend of $A$ and $B$ homopolymers is attractive at all distances, resulting in coarsening of the blend morphology even in the absence of interface curvature. We demonstrate that the dissipative assembly in response to a time-periodic variation of the blend incompatibility qualitatively alters this behavior; i.e., for suitable parameters the interface potential exhibits a periodic spatial modulation and AB interfaces adopt a well-defined distance. We explore for which oscillation periods and amplitudes an interface repulsion occurs and demonstrate that we can control the preferred interface distance over a wide range by varying the oscillation period. Using particle-based simulations we explicitly demonstrate that this dissipative assembly of a homopolymer blend results in a lamellar structure with multiple planar interfaces in a thin film geometry.

Metabolism and evolution are closely connected: if a mutation incurs extra energetic costs for an organism, there is a baseline selective disadvantage that may or may not be compensated for by other adaptive effects. A long-standing, but to date unproven, hypothesis is that this disadvantage is equal to the fractional cost relative to the total resting metabolic expenditure. We validate this result from physical principles through a general growth model and show it holds to excellent approximation for experimental parameters drawn from a wide range of species.