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تسجيل مستخدم جديدComputational Steering of Cluster Formation in Brownian Suspensions
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We simulate cluster formation of model colloidal particles interacting via DLVO (Derjaguin, Landau, Vervey, Overbeek) potentials. The interaction potentials can be related to experimental conditions, defined by the pH-value, the salt concentration and the volume fraction of solid particles suspended in water. The system shows different structural properties for different conditions, including cluster formation, a glass-like repulsive structure, or a liquid suspension. Since many simulations are needed to explore the whole parameter space, when investigating the properties of the suspension depending on the experimental conditions, we have developed a steering approach to control a running simulation and to detect interesting transitions from one region in the configuration space to another. The advantages of the steering approach and the restrictions of its applicability due to physical constraints are illustrated by several example cases.
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We develop efficient numerical methods for performing many-body Brownian dynamics simulations of a recently-observed fingering instability in an active suspension of colloidal rollers sedimented above a wall [M. Driscoll, B. Delmotte, M. Youssef, S.
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Mari, J. F. Morris, and M. M. Denn., Phys. Rev. Lett., 111:218301, 2013) we have considered the minimum set of components to reproduce the experimentally observed shear thickening behavior, including Discontinuous Shear Thickening (DST). We have found frictional contact forces to be essential, and were able to reproduce the experimental behavior by a simulation including this physical ingredient along with viscous lubrication. In the present article, we thoroughly investigate the effect of friction and express it in the framework of the jamming transition. The viscosity divergence at the jamming transition has been a well known phenomenon in suspension rheology, as reflected in many empirical laws for the viscosity. Friction can affect this divergence, and in particular the jamming packing fraction is reduced if particles are frictional. Within the physical description proposed here, shear thickening is a direct consequence of this effect: as the shear rate increases, friction is increasingly incorporated as more contacts form, leading to a transition from a mostly frictionless to a mostly frictional rheology. This result is significant because it shifts the emphasis from lubrication hydrodynamics and detailed microscopic interactions to geometry and steric constraints close to the jamming transition.
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