arXiv subjects

Thomas Speck

Publications and source records attributed to Thomas Speck.

At least 37 records · Page 2Linked to original sources

arXiv2023

Collective Hall current in chiral active fluids: Coupling of phase and mass transport through traveling bands

Active fluids composed of constituents that are constantly driven away from thermal equilibrium can support spontaneous currents and can be engineered to have unconventional transport properties. Here we report the emergence of (meta-)stable traveling bands in computer simulations of aligning circle swimmers. These bands are different from polar flocks and we show that they can be understood as non-dispersive soliton solutions of the underlying non-linear hydrodynamic equations with constant celerity (phase propagation speed) that is much larger than the propulsion speed. In contrast to solitons in passive media, these bands can induce a bulk particle current with a component perpendicular to the propagation direction, thus constituting a collective Hall (or Magnus) effect. Traveling bands require sufficiently small orbits and undergo a discontinuous transition into a synchronized state with transient polar clusters for large orbital radii.

cond-mat.soft↗

arXiv2023

Colloidal Hard Spheres: Triumphs, Challenges and Mysteries

The simplicity of hard spheres as a model system is deceptive. Although the particles interact solely through volume exclusion, that nevertheless suffices for a wealth of static and dynamical phenomena to emerge, making the model an important target for achieving a comprehensive understanding of matter. In addition, while real colloidal suspensions are typically governed by complex interactions, Pusey and Van Megen [Nature 320 340--342 (1986)] demonstrated that suitably tuned suspensions result in hard-sphere like behavior, thus bringing a valuable experimental complement to the celebrated theoretical model. Colloidal hard spheres are thus both a material in their own right and a platform upon which phenomena exhibited by simple materials can be explored in great detail. These various purposes enable a particular synergy between experiment, theory and computer simulation. Here we review the extensive body of work on hard spheres, ranging from their equilibrium properties such as phase behavior, interfaces and confinement to some of the non--equilibrium phenomena they exhibit such as sedimentation, glass formation and nucleation.

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arXiv2023

Perturbative dynamic renormalization of scalar field theories in statistical physics

Renormalization is a powerful technique in statistical physics to extract the large-scale behavior of interacting many-body models. These notes aim to give an introduction to perturbative methods that operate on the level of the stochastic evolution equation for a scalar field (e.g., density), including systems that are driven away from equilibrium and thus lack a free energy. While there is a large number of reviews and lecture notes, many are somewhat scarce on technical details and written in the language of quantum field theory, which can be more confusing than helpful. Here we attempt a minimal and concise yet pedagogical introduction to dynamic renormalization in the language of statistical physics with a strong focus on how to actually perform calculations. We provide a symbolic algebra implementation of the discussed techniques including Jupyter notebooks of two illustrations: the KPZ equation and a neural network model.

cond-mat.stat-mech↗

arXiv2023

Effective dynamics and fluctuations of a trapped probe moving in a fluid of active hard discs

We study the dynamics of a single trapped probe surrounded by self-propelled active particles in two dimensions. In the limit of large size separation, we perform an adiabatic elimination of the small active particles to obtain an effective Markovian dynamics of the large probe, yielding explicit expressions for the mobility and diffusion coefficient. To calculate these expressions, we perform computer simulations employing active Brownian discs and consider two scenarios: non-interacting bath particles and purely repulsive interactions modeling volume exclusion. We keep the probe-to-bath size ratio fixed and vary the propulsion speed of the bath particles. The positional fluctuations of a trapped probe are accessible in experiments, for which we test the prediction from the adiabatic elimination. Although the approximations cause a discrepancy at equilibrium, the overall agreement between predicted and measured probe fluctuations is very good at larger speeds.

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arXiv2022

Force generation in confined active fluids: The role of microstructure

We experimentally determine the force exerted by a bath of active particles onto a passive probe as a function of its distance to a wall and compare it to the measured averaged density distribution of active particles around the probe. Within the framework of an active stress, we demonstrate that both quantities are - up to a factor - directly related to each other. Our results are in excellent agreement with a minimal numerical model and confirm a general and system-independent relationship between the microstructure of active particles and transmitted forces.

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arXiv2022

Critical behavior of active Brownian particles: Connection to field theories

We explore the relation between active Brownian particles, a minimal particle-based model for active matter, and scalar field theories. Both show a liquid-gas-like phase transition towards stable coexistence of a dense liquid with a dilute active gas that terminates in a critical point. However, a comprehensive mapping between the particle-based model parameters and the effective coefficients governing the field theories has not been established yet. We discuss conflicting recent numerical results for the critical exponents of active Brownian particles in two dimensions. Starting from the intermediate effective hydrodynamic equations, we then present a novel construction for a scalar order parameter for active Brownian particles that yields the "active model B+". We argue that a crucial ingredient is the coupling between density and polarization in the particle current. The renormalization flow close to two dimensions exhibits a pair of perturbative fixed points that limit the attractive basin of the Wilson-Fisher fixed point, with the perspective that the critical behavior of active Brownian particles in two dimensions is governed by a strong-coupling fixed point different from Wilson-Fisher and not necessarily corresponding to Ising universality.

cond-mat.stat-mech↗

arXiv2022

Efficiency of isothermal active matter engines: Strong driving beats weak driving

We study microscopic engines that use a single active particle as their "working medium". Part of the energy required to drive the directed motion of the particle can be recovered as work, even at constant temperature. A wide class of synthetic active particles can be captured by schematically accounting for the chemical degrees of freedom that power the directed motion without having to resolve the exact microscopic mechanism. We derive analytical results for the quasi-static thermodynamic efficiency, i.e., the fraction of available chemical energy that can be recovered as mechanical work. While this efficiency is vanishingly small for colloidal particles, it increases as the dissipation is increased beyond the linear response regime and goes through a maximum at large propulsion speeds. Our results demonstrate that driving beyond the linear response regime has non-trivial consequences for the efficiency of active engines.

cond-mat.soft↗

arXiv2021

Hunting active Brownian particles: Learning optimal behavior

We numerically study active Brownian particles that can respond to environmental cues through a small set of actions (switching their motility and turning left or right with respect to some direction) which are motivated by recent experiments with colloidal self-propelled Janus particles. We employ reinforcement learning to find optimal mappings between the state of particles and these actions. Specifically, we first consider a predator-prey situation in which prey particles try to avoid a predator. Using as reward the squared distance from the predator, we discuss the merits of three state-action sets and show that turning away from the predator is the most successful strategy. We then remove the predator and employ as collective reward the local concentration of signaling molecules exuded by all particles and show that aligning with the concentration gradient leads to chemotactic collapse into a single cluster. Our results illustrate a promising route to obtain local interaction rules and design collective states in active matter.

cond-mat.soft↗

arXiv2021

Modeling of biomolecular machines in non-equilibrium steady states

Numerical computations have become a pillar of all modern quantitative sciences. Any computation involves modeling--even if often this step is not made explicit--and any model has to neglect details while still being physically accurate. Equilibrium statistical mechanics guides both the development of models and numerical methods for dynamics obeying detailed balance. For systems driven away from thermal equilibrium such a universal theoretical framework is missing. For a restricted class of driven systems governed by Markov dynamics and local detailed balance, stochastic thermodynamics has evolved to fill this gap and to provide fundamental constraints and guiding principles. The next step is to advance stochastic thermodynamics from simple model systems to complex systems with ten thousands or even millions degrees of freedom. Biomolecules operating in the presence of chemical gradients and mechanical forces are a prime example for this challenge. In this Perspective, we give an introduction to isothermal stochastic thermodynamics geared towards the systematic multiscale modeling of the conformational dynamics of biomolecular and synthetic machines, and we outline some of the open challenges.

cond-mat.stat-mech↗

arXiv2021

Modeling non-linear dielectric susceptibilities of supercooled molecular liquids

Advances in high-precision dielectric spectroscopy has enabled access to non-linear susceptibilities of polar molecular liquids. The observed non-monotonic behavior has been claimed to provide strong support for theories of dynamic arrest based on thermodynamic amorphous order. Here we approach this question from the perspective of dynamic facilitation, an alternative view focusing on emergent kinetic constraints underlying the dynamic arrest of a liquid approaching its glass transition. We derive explicit expressions for the frequency-dependent higher-order dielectric susceptibilities exhibiting a non-monotonic shape, the height of which increases as temperature is lowered. We demonstrate excellent agreement with the experimental data for glycerol, challenging the idea that non-linear response functions reveal correlated relaxation in supercooled liquids.

cond-mat.soft↗

arXiv2021

Multiscale modelling of structure formation of C$_{60}$ on insulating CaF$_2$ substrates

Morphologies of adsorbed molecular films are of interest in a wide range of applications. To study the epitaxial growth of these systems in computer simulations requires access to long time and length scales and one typically resorts to kinetic Monte Carlo (KMC) simulations. However, KMC simulations require as input transition rates and their dependence on external parameters (such as temperature). Experimental data allows only limited and indirect access to these rates, and models are often oversimplified. Here we follow a bottom-up approach and aim to systematically construct all relevant rates for an example system that has shown interesting properties in experiments, buckminsterfullerene on a calcium fluoride substrate. We develop classical force fields (both atomistic and coarse-grained) and perform molecular dynamics simulations of the elementary transitions in order to derive explicit expressions for the transition rates with a minimal number of free parameters.

cond-mat.mtrl-sci↗

arXiv2021

Vorticity Determines the Force on Bodies Immersed in Active Fluids

When immersed into a fluid of active Brownian particles, passive bodies might start to undergo linear or angular directed motion depending on their shape. Here we exploit the divergence theorem to relate the forces responsible for this motion to the density and current induced by--but far away from--the body. In general, the force is composed of two contributions: due to the strength of the dipolar field component and due to particles leaving the boundary, generating a non-vanishing vorticity of the polarization. We derive and numerically corroborate results for periodic systems, which are fundamentally different from unbounded systems with forces that scale with the area of the system. We demonstrate that vorticity is localized close to the body and to points at which the local curvature changes, enabling the rational design of particle shapes with desired propulsion properties.

cond-mat.soft↗

arXiv2021

Critical behaviour in active lattice models of motility-induced phase separation

Lattice models allow for a computationally efficient investigation of motility-induced phase separation (MIPS) compared to off-lattice systems. Simulations are less demanding and thus bigger systems can be accessed with higher accuracy and better statistics. In equilibrium, lattice and off-lattice models with comparable interactions belong to the same universality class. Whether concepts of universality also hold for active particles is still a controversial and open question. Here, we examine two recently proposed active lattice systems that undergo MIPS and investigate numerically their critical behaviour. In particular, we examine the claim that these systems and MIPS in general belong to the Ising universality class. We also take a more detailed look on the influence and role of rotational diffusion and active velocity in these systems.

cond-mat.stat-mech↗

arXiv2020

Coexistence of active Brownian discs: Van der Waals theory and analytical results

At thermal equilibrium, intensive quantities like temperature and pressure have to be uniform throughout the system, restricting inhomogeneous systems composed of different phases. The paradigmatic example is the coexistence of vapor and liquid, a state that can also be observed for active Brownian particles steadily driven away from equilibrium. Recently, a strategy has been proposed that allows to predict phase equilibria of active particles [Phys. Rev. E \textbf{97}, 020602(R)(2018)]. Here we elaborate on this strategy and formulate it in the framework of a van der Waals theory for active discs. For a given equation of state, we derive the effective free energy analytically and show that it yields coexisting densities in very good agreement with numerical results. We discuss the interfacial tension and the relation to Cahn-Hilliard models.

cond-mat.stat-mech↗

arXiv2020

Dynamical Phase Transitions and their Relation to Thermodynamic Glass Physics

We review recent developments in structural-dynamical phase transitions in trajectory space. An open question is how the dynamic facilitation theory of the glass transition may be reconciled with thermodynamic theories that posit a vanishing configurational entropy. Dynamic facilitation theory invokes a dynamical phase transition, between an active phase (close to the normal liquid) and an inactive phase which is glassy, whose order parameter is either dynamic or a time-averaged structural quantity. In particular, the dynamical phase transition in systems with non-trivial thermodynamics manifests signatures of a lower critical point, which lies close to the putative Kauzmann temperature, where any thermodynamic phase transition to an ideal glass state might occur. We discuss these findings, and suggest that the lower critical point of the structural-dynamical phase transition may be related to the large drop in configurational entropy that occurs in the inactive phase of the dynamical phase transition. Increasing supercooling thus brings configurational entropy of the normal liquid much lower, along with the temperature.

cond-mat.stat-mech↗

arXiv2020

Modeling epitaxial film growth of C$_{60}$ revisited

Epitaxial films evolve on time and length scales that are inaccessible to atomistic computer simulation methods like molecular dynamics (MD). To numerically predict properties for such systems, a common strategy is to employ kinetic Monte Carlo (KMC) simulations, for which one needs to know the transition rates of the involved elementary steps. The main challenge is thus to formulate a consistent model for the set of transition rates and to determine its parameters. Here we revisit a well-studied model system, the epitaxial film growth of the fullerene C$_{60}$ on an ordered C$_{60}$ substrate(111). We implement a systematic multiscale approach in which we determine transition rates through MD simulations of specifically designed initial configurations. These rates follow Arrhenius' law, from which we extract energy barriers and attempt rates. We discuss the issue of detailed balance for the resulting rates. Finally, we study the morphology of subatomic and multilayer film growth and compare simulation results to experiments. Our model enables further studies on multi-layer growth processes of C$_{60}$ on other substrates.

cond-mat.mtrl-sci↗

arXiv2020

Collective forces in scalar active matter

Large-scale collective behavior in suspensions of many particles can be understood from the balance of statistical forces emerging beyond the direct microscopic particle interactions. Here we review some aspects of the collective forces that can arise in suspensions of self-propelled active Brownian particles: wall forces under confinement, interfacial forces, and forces on immersed bodies mediated by the suspension. Even for non-aligning active particles, these forces are intimately related to a non-uniform polarization of particle orientations induced by walls and bodies, or inhomogeneous density profiles. We conclude by pointing out future directions and promising areas for the application of collective forces in synthetic active matter, as well as their role in living active matter.

cond-mat.stat-mech↗

arXiv2019

The 2019 Motile Active Matter Roadmap

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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