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Understanding dense active nematics from microscopic models

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 Added by Eric Bertin
 Publication date 2019
  fields Physics
and research's language is English




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We study dry, dense active nematics at both particle and continuous levels. Specifically, extending the Boltzmann-Ginzburg-Landau approach, we derive well-behaved hydrodynamic equations from a Vicsek-style model with nematic alignment and pairwise repulsion. An extensive study of the phase diagram shows qualitative agreement between the two levels of description. We find in particular that the dynamics of topological defects strongly depends on parameters and can lead to ``arch solutions forming a globally polar, smectic arrangement of Neel walls. We show how these configurations are at the origin of the defect ordered states reported previously. This work offers a detailed understanding of the theoretical description of dense active nematics directly rooted in their microscopic dynamics.



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Active matter comprises individual units that convert energy into mechanical motion. In many examples, such as bacterial systems and biofilament assays, constituent units are elongated and can give rise to local nematic orientational order. Such `active nematics systems have attracted much attention from both theorists and experimentalists. However, despite intense research efforts, data-driven quantitative modeling has not been achieved, a situation mainly due to the lack of systematic experimental data and to the large number of parameters of current models. Here we introduce a new active nematics system made of swarming filamentous bacteria. We simultaneously measure orientation and velocity fields and show that the complex spatiotemporal dynamics of our system can be quantitatively reproduced by a new type of microscopic model for active suspensions whose important parameters are all estimated from comprehensive experimental data. This provides unprecedented access to key effective parameters and mechanisms governing active nematics. Our approach is applicable to different types of dense suspensions and shows a path towards more quantitative active matter research.
We examine the scaling with activity of the emergent length scales that control the nonequilibrium dynamics of an active nematic liquid crystal, using two popular hydrodynamic models that have been employed in previous studies. In both models we find that the chaotic spatio-temporal dynamics in the regime of fully developed active turbulence is controlled by a single active scale determined by the balance of active and elastic stresses, regardless of whether the active stress is extensile or contractile in nature. The observed scaling of the kinetic energy and enstropy with activity is consistent with our single-length scale argument and simple dimensional analysis. Our results provide a unified understanding of apparent discrepancies in the previous literature and demonstrate that the essential physics is robust to the choice of model.
We develop a statistical framework for the rheology of dense, non-Brownian suspensions, based on correlations in a space representing forces, which is dual to position space. Working with the ensemble of steady state configurations obtained from simulations of suspensions in two dimensions, we find that the anisotropy of the pair correlation function in force space changes with confining shear stress ($sigma_{xy}$) and packing fraction ($phi$). Using these microscopic correlations, we build a statistical theory for the macroscopic friction coefficient: the anisotropy of the stress tensor, $mu = sigma_{xy}/P$. We find that $mu$ decreases (i) as $phi$ is increased and (ii) as $sigma_{xy}$ is increased. Using a new constitutive relation between $mu$ and viscosity for dense suspensions that generalizes the rate-independent one, we show that our theory predicts a Discontinuous Shear Thickening (DST) flow diagram that is in good agreement with numerical simulations, and the qualitative features of $mu$ that lead to the generic flow diagram of a DST fluid observed in experiments.
Using agent-based simulations of self-propelled particles subject to short-range repulsion and nematic alignment we explore the dynamical phases of a dense active material confined to the surface of a sphere. We map the dynamical phase diagram as a function of curvature, alignment strength and activity and reproduce phases seen in recent experiments on active microtubules moving on the surfaces of vesicles. At low driving, we recover the equilibrium nematic ground state with four +1/2 defects. As the driving is increased, geodesic forces drive the transition to a band of polar matter wrapping around an equator, with large bald spots corresponding to two +1 defects at the poles. Finally, bands fold onto themselves, followed by the system moving into a turbulent state marked by active proliferation of pairs of topological defects. We highlight the role of nematic persistence length and time for pattern formation in these confined systems with finite curvature.
We theoretically study the non-monotonic (re-entrant) activated dynamics associated with a repulsive glass to fluid to attractive glass transition in high density particle suspensions interacting via strong short range attractive forces. The classic theoretical projection approximation that replaces all microscopic forces by a single effective force determined solely by equilibrium pair correlations is revisited based on the projectionless dynamic theory (PDT) that avoids force projection. A hybrid-PDT is formulated that explicitly quantifies how attractive forces induce dynamical constraints, while singular hard core interactions are treated based on the projection approach. Both the effects of interference between repulsive and attractive forces, and structural changes due to attraction-induced bond formation that competes with caging, are included. Combined with the microscopic Elastically Collective Nonlinear Langevin Equation (ECNLE) theory of activated relaxation, the resultant approach appears to properly capture both the re-entrant dynamic crossover behavior and the strong non-monotonic variation of the activated structural relaxation time with attraction strength and range at very high volume fractions. Qualitative differences with ECNLE theory-based results that adopt the full projection approximation are identified, and testable predictions made. The new formulation appears qualitatively consistent with multiple experimental and simulation studies, and provides a new perspective for the overall problem that is rooted in activated motion and interference between repulsive and attractive forces. This is conceptually distinct from empirical shifting or other ad hoc modifications of ideal mode coupling theory which do not take into account activated dynamics. Implications for thermal glass forming liquids are briefly discussed.
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