Publications by authors named "Michael Te Vrugt"

The hydrodynamics of thin films is typically described using macroscopic models whose connection to the microscopic particle dynamics is a subject of ongoing research. Existing methods based on density functional theory provide a good description of static thin films but are not sufficient for understanding nonequilibrium dynamics. In this work, we present a microscopic derivation of the thin film equation using the Mori-Zwanzig projection operator formalism.

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Liquid crystals consisting of biaxial particles can exhibit a much richer phase behavior than their uniaxial counterparts. Usually, one has to rely on simulation results to understand the phase diagram of these systems since very few analytical results exist. In this work, we apply fundamental measure theory, which allows us to derive free energy functionals for hard particles from first principles and with high accuracy, to systems of hard cylinders, cones, and spherotriangles.

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The mechanical forces that cells experience from the tissue surrounding them are crucial for their behavior and development. Experimental studies of such mechanical forces require a method for measuring them. A widely used approach in this context is bead deformation analysis, where spherical particles are embedded into the tissue.

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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. While this function is by now well studied for two-dimensional active matter systems, the more complex and more realistic case of three-dimensional systems is not well understood by now.

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We investigate the influence of external forces on the collective dynamics of interacting active Brownian particles in two as well as three spatial dimensions. Via explicit coarse graining, we derive predictive models, i.e.

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Applications of active particles require a method for controlling their dynamics. While this is typically achieved via direct interventions, indirect interventions based, e.g.

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The study of active soft matter has developed into one of the most rapidly growing areas of physics. Field theories, which can be developed either via phenomenological considerations or by coarse-graining of a microscopic model, are a very useful tool for understanding active systems. Here, we provide a detailed review of a particular coarse-graining procedure, the(IEM).

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Active field theories, such as the paradigmatic model known as 'active model B+', are simple yet very powerful tools for describing phenomena such as motility-induced phase separation. No comparable theory has been derived yet for the underdamped case. In this work, we introduce active model I+, an extension of active model B+ to particles with inertia.

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A gas in a box is perhaps the most important model system studied in thermodynamics and statistical mechanics. Usually, studies focus on the gas, whereas the box merely serves as an idealized confinement. The present article focuses on the box as the central object and develops a thermodynamic theory by treating the geometric degrees of freedom of the box as the degrees of freedom of a thermodynamic system.

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Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In particular, there has been a remarkable growth in the amount of work related to chemistry.

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Observing and characterizing the complex ordering phenomena of liquid crystals subjected to external constraints constitutes an ongoing challenge for chemists and physicists alike. To elucidate the delicate balance appearing when the intrinsic positional order of smectic liquid crystals comes into play, we perform Monte-Carlo simulations of rod-like particles in a range of cavities with a cylindrical symmetry. Based on recent insights into the topology of smectic orientational grain boundaries in two dimensions, we analyze the emerging three-dimensional defect structures from the perspective of tetratic symmetry.

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Cosmology relies on a coarse-grained description of the universe, assumed to be valid on large length scales. However, the nonlinearity of general relativity makes coarse graining extremely difficult. We here address this problem by extending the Mori-Zwanzig projection operator formalism, a highly successful coarse-graining method from statistical mechanics, towards general relativity.

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Thermodynamics has a clear arrow of time, characterized by the irreversible approach to equilibrium. This stands in contrast to the laws of microscopic theories, which are invariant under time-reversal. Foundational discussions of this "problem of irreversibility" often focus on historical considerations, and do therefore not take results of modern physical research on this topic into account.

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For preventing the spread of epidemics such as the coronavirus disease COVID-19, social distancing and the isolation of infected persons are crucial. However, existing reaction-diffusion equations for epidemic spreading are incapable of describing these effects. In this work, we present an extended model for disease spread based on combining a susceptible-infected-recovered model with a dynamical density functional theory where social distancing and isolation of infected persons are explicitly taken into account.

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The Mori-Zwanzig projection operator formalism is a powerful method for the derivation of mesoscopic and macroscopic theories based on known microscopic equations of motion. It has applications in a large number of areas including fluid mechanics, solid-state theory, spin relaxation theory, and particle physics. In its present form, however, the formalism cannot be directly applied to systems with time-dependent Hamiltonians.

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