Moving charged particles in lattice Boltzmann-based electrokinetics.

The motion of ionic solutes and charged particles under the influence of an electric field and the ensuing hydrodynamic flow of the underlying solvent is ubiquitous in aqueous colloidal suspensions. The physics of such systems is described by a coupled set of differential equations, along with boundary conditions, collectively referred to as the electrokinetic equations. Capuani et al. [J. Chem. Phys. 121, 973 (2004)] introduced a lattice-based method for solving this system of equations, which builds upon the lattice Boltzmann algorithm for the simulation of hydrodynamic flow and exploits computational locality. However, thus far, a description of how to incorporate moving boundary conditions into the Capuani scheme has been lacking. Moving boundary conditions are needed to simulate multiple arbitrarily moving colloids. In this paper, we detail how to introduce such a particle coupling scheme, based on an analogue to the moving boundary method for the pure lattice Boltzmann solver. The key ingredients in our method are mass and charge conservation for the solute species and a partial-volume smoothing of the solute fluxes to minimize discretization artifacts. We demonstrate our algorithm's effectiveness by simulating the electrophoresis of charged spheres in an external field; for a single sphere we compare to the equivalent electro-osmotic (co-moving) problem. Our method's efficiency and ease of implementation should prove beneficial to future simulations of the dynamics in a wide range of complex nanoscopic and colloidal systems that were previously inaccessible to lattice-based continuum algorithms.

Interactive patient-specific vascular modeling with sweep surfaces.

The precise modeling of vascular structures plays a key role in medical imaging applications, such as diagnosis, therapy planning and blood flow simulations. For the simulation of blood flow in particular, high-precision models are required to produce accurate results. It is thus common practice to perform extensive manual data polishing on vascular segmentations prior to simulation. This usually involves a complex tool chain which is highly impractical for clinical on-site application. To close this gap in current blood flow simulation pipelines, we present a novel technique for interactive vascular modeling which is based on implicit sweep surfaces. Our method is able to generate and correct smooth high-quality models based on geometric centerline descriptions on the fly. It supports complex vascular free-form contours and consequently allows for an accurate and fast modeling of pathological structures such as aneurysms or stenoses. We extend the concept of implicit sweep surfaces to achieve increased robustness and applicability as required in the medical field. We finally compare our method to existing techniques and provide case studies that confirm its contribution to current simulation pipelines.