Search

We present a novel computational framework for the simulation of rigid spherical Janus particle suspensions in Stokes flow. For a wide array of Janus particle types, we show long-range interactions may be resolved using fast, spectrally accurate boundary integral methods. We incorporate this to our rigid body Stokes platform, which resolves hydrodynamic interactions and contact. Our approach features the use of spherical harmonic expansions for spectrally accurate integral operator evaluation, complementarity-based collision resolution, and optimal O (n) scaling with the number of particles when accelerated via fast summation techniques. We demonstrate the versatility of our simulation platform through three test cases involving Janus particle systems prominent in applications: amphiphilic, bipolar electric and phoretic particles. For each test case, we formulate Janus particle interactions in boundary integral form and use our framework to demonstrate examples of self-assembly and complex collective behavior characteristic of these systems. [ABSTRACT FROM AUTHOR]

• Geometry-driven tensorization coupled with the tensor-train decomposition yields a hierarchical compression scheme. • A new streaming data compression scheme, in which batches of simulation data can be efficiently incorporated to a compressed representation as soon as they are generated. • Demonstration of high compression ratios (1 K-10 M fold reductions) of discrete element vehicle-over-soil simulation dataset. We propose a framework for discrete scientific data compression based on the tensor-train (TT) decomposition. Our approach is tailored to handle unstructured output data from discrete element method (DEM) simulations, demonstrating its effectiveness in compressing both raw (e.g. particle position and velocity) and derived (e.g. stress and strain) datasets. We show that geometry-driven "tensorization" coupled with the TT decomposition (known as quantized TT) yields a hierarchical compression scheme, achieving high compression ratios for key variables in these DEM datasets. [ABSTRACT FROM AUTHOR]

We show that the standard boundary integral operators, defined on the unit sphere, for the Stokes equations diagonalize on a specific set of vector spherical harmonics and provide formulas for their spectra. We also derive analytical expressions for evaluating the operators away from the boundary. When two particle are located close to each other, we use a truncated series expansion to compute the hydrodynamic interaction. On the other hand, we use the standard spectrally accurate quadrature scheme to evaluate smooth integrals on the far-field, and accelerate the resulting discrete sums using the fast multipole method (FMM). We employ this discretization scheme to analyze several boundary integral formulations of interest including those arising in porous media flow, active matter and magneto-hydrodynamics of rigid particles. We provide numerical results verifying the accuracy and scaling of their evaluation. [ABSTRACT FROM AUTHOR]

We present a framework using the Quantized Tensor Train ( qtt ) decomposition to accurately and efficiently solve volume and boundary integral equations in three dimensions. We describe how the qtt decomposition can be used as a hierarchical compression and inversion scheme for matrices arising from the discretization of integral equations. For a broad range of problems, computational and storage costs of the inversion scheme are extremely modest O ( log ⁡ N ) and once the inverse is computed, it can be applied in O ( N log ⁡ N ) . We analyze the qtt ranks for hierarchically low rank matrices and discuss its relationship to commonly used hierarchical compression techniques such as fmm and hss . We prove that the qtt ranks are bounded for translation-invariant systems and argue that this behavior extends to non-translation invariant volume and boundary integrals. For volume integrals, the qtt decomposition provides an efficient direct solver requiring significantly less memory compared to other fast direct solvers. We present results demonstrating the remarkable performance of the qtt -based solver when applied to both translation and non-translation invariant volume integrals in 3d . For boundary integral equations, we demonstrate that using a qtt decomposition to construct preconditioners for a Krylov subspace method leads to an efficient and robust solver with a small memory footprint. We test the qtt preconditioners in the iterative solution of an exterior elliptic boundary value problem (Laplace) formulated as a boundary integral equation in complex, multiply connected geometries. [ABSTRACT FROM AUTHOR]

We present a new derivation of a boundary integral equation (BIE) for simulating the three-dimensional dynamics of arbitrarily-shaped rigid particles of genus zero immersed in a Stokes fluid, on which are prescribed forces and torques. Our method is based on a single-layer representation and leads to a simple second-kind integral equation. It avoids the use of auxiliary sources within each particle that play a role in some classical formulations. We use a spectrally accurate quadrature scheme to evaluate the corresponding layer potentials, so that only a small number of spatial discretization points per particle are required. The resulting discrete sums are computed in O ( n ) time, where n denotes the number of particles, using the fast multipole method (FMM). The particle positions and orientations are updated by a high-order time-stepping scheme. We illustrate the accuracy, conditioning and scaling of our solvers with several numerical examples. [ABSTRACT FROM AUTHOR]

An efficient direct solver for volume integral equations with O ( N ) complexity for a broad range of problems is presented. The solver relies on hierarchical compression of the discretized integral operator, and exploits that off-diagonal blocks of certain dense matrices have numerically low rank. Technically, the solver is inspired by previously developed direct solvers for integral equations based on “recursive skeletonization” and “Hierarchically Semi-Separable” (HSS) matrices, but it improves on the asymptotic complexity of existing solvers by incorporating an additional level of compression. The resulting solver has optimal O ( N ) complexity for all stages of the computation, as demonstrated by both theoretical analysis and numerical examples. The computational examples further display good practical performance in terms of both speed and memory usage. In particular, it is demonstrated that even problems involving 10 7 unknowns can be solved to precision 10 − 10 using a simple Matlab implementation of the algorithm executed on a single core. [ABSTRACT FROM AUTHOR]

Tiebout's “voting with the feet” proposition directs attention to the role of local authorities in delivering public services, and the implications of their decisions in people's choice of place of residence. Similarly, the bottom-up approach to economic development places a relevant role of local governments in promoting higher standards of living. By considering the latter, the former can be extended as citizens can choose a jurisdiction not only on the basis of a combination of taxes and public services but a broader mix of public goods. This paper analyses the effects of the fundamental features of the bottom-up or local economic development (LED) approach on population mobility among Mexican municipalities. This study finds significant evidence of a positive impact of LED elements on immigration during the period between 1990 and 2005. [ABSTRACT FROM AUTHOR]

• Collision resolution by convex quadratic programming. • Scalable and efficient parallel algorithm and implementation. • Accurate second-kind boundary integral formulation. We describe a computational framework for simulating suspensions of rigid particles in Newtonian Stokes flow. One central building block is a collision-resolution algorithm that overcomes the numerical constraints arising from particle collisions. This algorithm extends the well-known complementarity method for non-smooth multi-body dynamics to resolve collisions in dense rigid body suspensions. This approach formulates the collision resolution problem as a linear complementarity problem with geometric 'non-overlapping' constraints imposed at each time-step. It is then reformulated as a constrained quadratic programming problem and the Barzilai-Borwein projected gradient descent method is applied for its solution. This framework is designed to be applicable for any convex particle shape, e.g., spheres and spherocylinders, and applicable to any Stokes mobility solver, including the Rotne-Prager-Yamakawa approximation, Stokesian Dynamics, and PDE solvers (e.g., boundary integral and immersed boundary methods). In particular, this method imposes Newton's Third Law and records the entire contact network. Further, we describe a fast, parallel, and spectrally-accurate boundary integral method tailored for spherical particles, capable of resolving lubrication effects. We show weak and strong parallel scalings up to 8 × 10 4 particles with approximately 4 × 10 7 degrees of freedom on 1792 cores. We demonstrate the versatility of this framework with several examples, including sedimentation of particle clusters, and active matter systems composed of ensembles of particles driven to rotate. [ABSTRACT FROM AUTHOR]