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

Inertial Coupling Method for particles in an incompressible fluctuating fluid

We develop an inertial coupling method for modeling the dynamics of point-like 'blob' particles immersed in an incompressible fluid, generalizing previous work for compressible fluids. The coupling consistently includes excess (positive or negative) inertia of the particles relative to the displaced fluid, and accounts for thermal fluctuations in the fluid momentum equation. The coupling between the fluid and the blob is based on a no-slip constraint equating the particle velocity with the local average of the fluid velocity, and conserves momentum and energy. We demonstrate that the formulation obeys a fluctuation-dissipation balance, owing to the non-dissipative nature of the no-slip coupling. We develop a spatio-temporal discretization that preserves, as best as possible, these properties of the continuum formulation. In the spatial discretization, the local averaging and spreading operations are accomplished using compact kernels commonly used in immersed boundary methods. We find that the special properties of these kernels make the discrete blob a particle with surprisingly physically-consistent volume, mass, and hydrodynamic properties. We develop a second-order semi-implicit temporal integrator that maintains discrete fluctuation-dissipation balance, and is not limited in stability by viscosity. Furthermore, the temporal scheme requires only constant-coefficient Poisson and Helmholtz linear solvers, enabling a very efficient and simple FFT-based implementation on GPUs. We numerically investigate the performance of the method on several standard test problems...Comment: Contains a number of corrections and an additional Figure 7 (and associated discussion) relative to published versio

A particle-based dissolution model using chemical collision energy

We propose a new energy-based method for real-time dissolution simulation. A unified particle representation is used for both fluid solvent and solid solute. We derive a novel dissolution model from the collision theory in chemical reactions: physical laws govern the local excitation of solid particles based on the relative motion of the fluid and solid. When the local excitation energy exceeds a user specified threshold (activation energy), the particle will be dislodged from the solid. Unlike previous methods, our model ensures that the dissolution result is independent of solute sampling resolution. We also establish a mathematical relationship between the activation energy, the inter-facial surface area, and the total dissolution time - allowing for accurate artistic control over the global dissolution rate while maintaining the physical plausibility of the simulation. We demonstrate applications of our method using a number of practical examples, including antacid pills dissolving in water and hydraulic erosion of non-homogeneous terrains. Our method is straightforward to incorporate with existing particle-based fluid simulations

Doctor of Philosophy

dissertationPhysical simulation has become an essential tool in computer animation. As the use of visual effects increases, the need for simulating real-world materials increases. In this dissertation, we consider three problems in physics-based animation: large-scale splashing liquids, elastoplastic material simulation, and dimensionality reduction techniques for fluid simulation. Fluid simulation has been one of the greatest successes of physics-based animation, generating hundreds of research papers and a great many special effects over the last fifteen years. However, the animation of large-scale, splashing liquids remains challenging. We show that a novel combination of unilateral incompressibility, mass-full FLIP, and blurred boundaries is extremely well-suited to the animation of large-scale, violent, splashing liquids. Materials that incorporate both plastic and elastic deformations, also referred to as elastioplastic materials, are frequently encountered in everyday life. Methods for animating such common real-world materials are useful for effects practitioners and have been successfully employed in films. We describe a point-based method for animating elastoplastic materials. Our primary contribution is a simple method for computing the deformation gradient for each particle in the simulation. Given the deformation gradient, we can apply arbitrary constitutive models and compute the resulting elastic forces. Our method has two primary advantages: we do not store or compare to an initial rest configuration and we work directly with the deformation gradient. The first advantage avoids poor numerical conditioning and the second naturally leads to a multiplicative model of deformation appropriate for finite deformations. One of the most significant drawbacks of physics-based animation is that ever-higher fidelity leads to an explosion in the number of degrees of freedom

Fluid-structure interaction with flexible multibody dynamics and smoothed particle hydrodynamics

In this work, we present a versatile and efficient computational approach to fluid-structure interaction based on the coupling of flexible multibody systems with fluids analyzed by means of the meshfree particle-based method smoothed particle hydrodynamics. Regarding numerical examples, rigid or flexible cells, and fibers in microchannel flows are investigated. As a main feature of this paper, our results are validated with reference simulations obtained from fundamentally different approaches

Hydrodynamic Flows on Curved Surfaces: Spectral Numerical Methods for Radial Manifold Shapes

We formulate hydrodynamic equations and spectrally accurate numerical methods for investigating the role of geometry in flows within two-dimensional fluid interfaces. To achieve numerical approximations having high precision and level of symmetry for radial manifold shapes, we develop spectral Galerkin methods based on hyperinterpolation with Lebedev quadratures for $L^2$-projection to spherical harmonics. We demonstrate our methods by investigating hydrodynamic responses as the surface geometry is varied. Relative to the case of a sphere, we find significant changes can occur in the observed hydrodynamic flow responses as exhibited by quantitative and topological transitions in the structure of the flow. We present numerical results based on the Rayleigh-Dissipation principle to gain further insights into these flow responses. We investigate the roles played by the geometry especially concerning the positive and negative Gaussian curvature of the interface. We provide general approaches for taking geometric effects into account for investigations of hydrodynamic phenomena within curved fluid interfaces.Comment: 14 figure