923 research outputs found
A fluctuating boundary integral method for Brownian suspensions
We present a fluctuating boundary integral method (FBIM) for overdamped
Brownian Dynamics (BD) of two-dimensional periodic suspensions of rigid
particles of complex shape immersed in a Stokes fluid. We develop a novel
approach for generating Brownian displacements that arise in response to the
thermal fluctuations in the fluid. Our approach relies on a first-kind boundary
integral formulation of a mobility problem in which a random surface velocity
is prescribed on the particle surface, with zero mean and covariance
proportional to the Green's function for Stokes flow (Stokeslet). This approach
yields an algorithm that scales linearly in the number of particles for both
deterministic and stochastic dynamics, handles particles of complex shape,
achieves high order of accuracy, and can be generalized to three dimensions and
other boundary conditions. We show that Brownian displacements generated by our
method obey the discrete fluctuation-dissipation balance relation (DFDB). Based
on a recently-developed Positively Split Ewald method [A. M. Fiore, F. Balboa
Usabiaga, A. Donev and J. W. Swan, J. Chem. Phys., 146, 124116, 2017],
near-field contributions to the Brownian displacements are efficiently
approximated by iterative methods in real space, while far-field contributions
are rapidly generated by fast Fourier-space methods based on fluctuating
hydrodynamics. FBIM provides the key ingredient for time integration of the
overdamped Langevin equations for Brownian suspensions of rigid particles. We
demonstrate that FBIM obeys DFDB by performing equilibrium BD simulations of
suspensions of starfish-shaped bodies using a random finite difference temporal
integrator.Comment: Submitted to J. Comp. Phy
Fast Ewald summation for free-space Stokes potentials
We present a spectrally accurate method for the rapid evaluation of
free-space Stokes potentials, i.e. sums involving a large number of free space
Green's functions. We consider sums involving stokeslets, stresslets and
rotlets that appear in boundary integral methods and potential methods for
solving Stokes equations. The method combines the framework of the Spectral
Ewald method for periodic problems, with a very recent approach to solving the
free-space harmonic and biharmonic equations using fast Fourier transforms
(FFTs) on a uniform grid. Convolution with a truncated Gaussian function is
used to place point sources on a grid. With precomputation of a scalar grid
quantity that does not depend on these sources, the amount of oversampling of
the grids with Gaussians can be kept at a factor of two, the minimum for
aperiodic convolutions by FFTs. The resulting algorithm has a computational
complexity of O(N log N) for problems with N sources and targets. Comparison is
made with a fast multipole method (FMM) to show that the performance of the new
method is competitive.Comment: 35 pages, 15 figure
Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions
In this work we develop the Spectral Ewald Accelerated Stokesian Dynamics
(SEASD), a novel computational method for dynamic simulations of polydisperse
colloidal suspensions with full hydrodynamic interactions. SEASD is based on
the framework of Stokesian Dynamics (SD) with extension to compressible
solvents, and uses the Spectral Ewald (SE) method [Lindbo & Tornberg, J.
Comput. Phys. 229 (2010) 8994] for the wave-space mobility computation. To meet
the performance requirement of dynamic simulations, we use Graphic Processing
Units (GPU) to evaluate the suspension mobility, and achieve an order of
magnitude speedup compared to a CPU implementation. For further speedup, we
develop a novel far-field block-diagonal preconditioner to reduce the far-field
evaluations in the iterative solver, and SEASD-nf, a polydisperse extension of
the mean-field Brownian approximation of Banchio & Brady [J. Chem. Phys. 118
(2003) 10323]. We extensively discuss implementation and parameter selection
strategies in SEASD, and demonstrate the spectral accuracy in the mobility
evaluation and the overall computation scaling. We
present three computational examples to further validate SEASD and SEASD-nf in
monodisperse and bidisperse suspensions: the short-time transport properties,
the equilibrium osmotic pressure and viscoelastic moduli, and the steady shear
Brownian rheology. Our validation results show that the agreement between SEASD
and SEASD-nf is satisfactory over a wide range of parameters, and also provide
significant insight into the dynamics of polydisperse colloidal suspensions.Comment: 39 pages, 21 figure
Accelerated Stokesian Dynamics simulations
A new implementation of the conventional Stokesian Dynamics (SD) algorithm, called accelerated Stokesian Dynamics (ASD), is presented. The equations governing the motion of N particles suspended in a viscous fluid at low particle Reynolds number are solved accurately and efficiently, including all hydrodynamic interactions, but with a significantly lower computational cost of O(N ln N). The main differences from the conventional SD method lie in the calculation of the many-body long-range interactions, where the Ewald-summed wave-space contribution is calculated as a Fourier transform sum and in the iterative inversion of the now sparse resistance matrix. The new method is applied to problems in the rheology of both structured and random suspensions, and accurate results are obtained with much larger numbers of particles. With access to larger N, the high-frequency dynamic viscosities and short-time self-diffusivities of random suspensions for volume fractions above the freezing point are now studied. The ASD method opens up an entire new class of suspension problems that can be investigated, including particles of non-spherical shape and a distribution of sizes, and the method can readily be extended to other low-Reynolds-number-flow problems
Hydrodynamics of Suspensions of Passive and Active Rigid Particles: A Rigid Multiblob Approach
We develop a rigid multiblob method for numerically solving the mobility
problem for suspensions of passive and active rigid particles of complex shape
in Stokes flow in unconfined, partially confined, and fully confined
geometries. As in a number of existing methods, we discretize rigid bodies
using a collection of minimally-resolved spherical blobs constrained to move as
a rigid body, to arrive at a potentially large linear system of equations for
the unknown Lagrange multipliers and rigid-body motions. Here we develop a
block-diagonal preconditioner for this linear system and show that a standard
Krylov solver converges in a modest number of iterations that is essentially
independent of the number of particles. For unbounded suspensions and
suspensions sedimented against a single no-slip boundary, we rely on existing
analytical expressions for the Rotne-Prager tensor combined with a fast
multipole method or a direct summation on a Graphical Processing Unit to obtain
an simple yet efficient and scalable implementation. For fully confined
domains, such as periodic suspensions or suspensions confined in slit and
square channels, we extend a recently-developed rigid-body immersed boundary
method to suspensions of freely-moving passive or active rigid particles at
zero Reynolds number. We demonstrate that the iterative solver for the coupled
fluid and rigid body equations converges in a bounded number of iterations
regardless of the system size. We optimize a number of parameters in the
iterative solvers and apply our method to a variety of benchmark problems to
carefully assess the accuracy of the rigid multiblob approach as a function of
the resolution. We also model the dynamics of colloidal particles studied in
recent experiments, such as passive boomerangs in a slit channel, as well as a
pair of non-Brownian active nanorods sedimented against a wall.Comment: Under revision in CAMCOS, Nov 201
A fast integral equation method for solid particles in viscous flow using quadrature by expansion
Boundary integral methods are advantageous when simulating viscous flow
around rigid particles, due to the reduction in number of unknowns and
straightforward handling of the geometry. In this work we present a fast and
accurate framework for simulating spheroids in periodic Stokes flow, which is
based on the completed double layer boundary integral formulation. The
framework implements a new method known as quadrature by expansion (QBX), which
uses surrogate local expansions of the layer potential to evaluate it to very
high accuracy both on and off the particle surfaces. This quadrature method is
accelerated through a newly developed precomputation scheme. The long range
interactions are computed using the spectral Ewald (SE) fast summation method,
which after integration with QBX allows the resulting system to be solved in M
log M time, where M is the number of particles. This framework is suitable for
simulations of large particle systems, and can be used for studying e.g. porous
media models
2HOT: An Improved Parallel Hashed Oct-Tree N-Body Algorithm for Cosmological Simulation
We report on improvements made over the past two decades to our adaptive
treecode N-body method (HOT). A mathematical and computational approach to the
cosmological N-body problem is described, with performance and scalability
measured up to 256k () processors. We present error analysis and
scientific application results from a series of more than ten 69 billion
() particle cosmological simulations, accounting for
floating point operations. These results include the first simulations using
the new constraints on the standard model of cosmology from the Planck
satellite. Our simulations set a new standard for accuracy and scientific
throughput, while meeting or exceeding the computational efficiency of the
latest generation of hybrid TreePM N-body methods.Comment: 12 pages, 8 figures, 77 references; To appear in Proceedings of SC
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