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Target search by active agents in rugged energy landscapes has remained a challenge because standard enhanced sampling methods do not apply to irreversible dynamics. We overcome this non-equilibrium rare-event problem by developing an algorithm generalizing transition-path sampling to active Brownian dynamics. This method is exemplified and benchmarked for a paradigmatic two-dimensional potential with a high barrier. We find that even in such a simple landscape the structure and kinetics of the ensemble of transition paths change drastically in the presence of activity. Indeed, active Brownian particles reach the target more frequently than passive Brownian particles, following longer and counterintuitive search patterns.
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Recent experimental studies have demonstrated that cellular motion can be directed by topographical gradients, such as those resulting from spatial variations in the features of a micropatterned substrate. This phenomenon, known as topotaxis, is especially prominent among cells persistently crawling within a spatially varying distribution of cell-sized obstacles. In this article we introduce a toy model of topotaxis based on active Brownian particles constrained to move in a lattice of obstacles, with space-dependent lattice spacing. Using numerical simulations and analytical arguments, we demonstrate that topographical gradients introduce a spatial modulation of the particles persistence, leading to directed motion toward regions of higher persistence. Our results demonstrate that persistent motion alone is sufficient to drive topotaxis and could serve as a starting point for more detailed studies on self-propelled particles and cells.
Recent experiments and simulations have revealed glassy features in the cytoplasm, living tissues as well as dense assemblies of self propelled colloids. This leads to a fundamental question: how do these non-equilibrium (active) amorphous materials differ from conventional passive glasses, created either by lowering temperature or by increasing density? To address this we investigate the aging behaviour after a quench to an almost arrested state of a model active glass former, a Kob-Andersen glass in two dimensions. Each constituent particle is driven by a constant propulsion force whose direction diffuses over time. Using extensive molecular dynamics simulations we reveal rich aging behaviour of this dense active matter system: short persistence times of the active forcing lead to effective thermal aging; in the opposite limit we find a two-step aging process with active athermal aging at short times followed by activity-driven aging at late times. We develop a dedicated simulation method that gives access to this long-time scaling regime for highly persistent active forces.
Self-propelled colloidal objects, such as motile bacteria or synthetic microswimmers, have microscopically irreversible individual dynamics - a feature they share with all living systems. The incoherent behaviour of individual swimmers can then be harnessed (or rectified) by microfluidic devices that create systematic motions impossible in equilibrium. Examples include flow of rotor particles round a circuit, steady rotation of a gear wheel in a bacterial bath, and pumping of bacteria between chambers by funnel gates. Here we present a computational proof-of-concept study, showing that such active rectification devices might be created directly from an unstructured primordial soup of motile particles, solely by using spatially modulated illumination to control their local propulsion speed. Alongside both microscopic irreversibility and speed modulation, our mechanism requires spatial symmetry breaking, such as a chevron light pattern, and strong interactions between particles, such as volume exclusion causing a collisional slow-down at high density. These four factors create a many-body rectification mechanism that generically differs from one-body microfluidic antecedents. Our work suggests that standard spatial-light-modulator technology might allow the programmable, light-induced self-assembly of active rectification devices from an unstructured particle bath.
Many cell membrane proteins that bind to actin form dynamic clusters driven by contractile flows generated by the actomyosin machinery at the cell cortex. Recent evidence suggests that a necessary condition for the generation of these protein clusters on the membrane is the stratified organization of the active agents -formin-nucleated actin, myosin-II minifilaments, and ARP2/3-nucleated actin mesh -within the cortex. Further, the observation that these clusters dynamically remodel, requires that the components of this active machinery undergo turnover. Here we develop a coarse-grained agent-based Brownian dynamics simulation that incorporates the effects of stratification, binding of myosin minifilaments to multiple actin filaments and their turnover. We show that these three features of the active cortical machinery -stratification, multivalency and turnover -are critical for the realisation of a nonequilibrium steady state characterised by contractile flows and dynamic orientational patterning. We show that this nonequilibrium steady state enabled by the above features of the cortex, can facilitate multi-particle encounters of membrane proteins that profoundly influence the kinetics of bimolecular reactions at the cell surface.
Activity and autonomous motion are fundamental in living and engineering systems. This has stimulated the new field of active matter in recent years, which focuses on the physical aspects of propulsion mechanisms, and on motility-induced emergent collective behavior of a larger number of identical agents. The scale of agents ranges from nanomotors and microswimmers, to cells, fish, birds, and people. Inspired by biological microswimmers, various designs of autonomous synthetic nano- and micromachines have been proposed. Such machines provide the basis for multifunctional, highly responsive, intelligent (artificial) active materials, which exhibit emergent behavior and the ability to perform tasks in response to external stimuli. A major challenge for understanding and designing active matter is their inherent nonequilibrium nature due to persistent energy consumption, which invalidates equilibrium concepts such as free energy, detailed balance, and time-reversal symmetry. Unraveling, predicting, and controlling the behavior of active matter is a truly interdisciplinary endeavor at the interface of biology, chemistry, ecology, engineering, mathematics, and physics. The vast complexity of phenomena and mechanisms involved in the self-organization and dynamics of motile active matter comprises a major challenge. Hence, to advance, and eventually reach a comprehensive understanding, this important research area requires a concerted, synergetic approach of the various disciplines.
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