Simulation of a Hard-Spherocylinder Liquid Crystal with the pe

The pe physics engine is validated through the simulation of a liquid crystal model system consisting of hard spherocylinders. For this purpose we evaluate several characteristic parameters of this system, namely the nematic order parameter, the pressure, and the Frank elastic constants. We compare these to the values reported in literature and find a very good agreement, which demonstrates that the pe physics engine can accurately treat such densely packed particle systems. Simultaneously we are able to examine the influence of finite size effects, especially on the evaluation of the Frank elastic constants, as we are far less restricted in system size than earlier simulations

Dynamic Load Balancing Techniques for Particulate Flow Simulations

Parallel multiphysics simulations often suffer from load imbalances originating from the applied coupling of algorithms with spatially and temporally varying workloads. It is thus desirable to minimize these imbalances to reduce the time to solution and to better utilize the available hardware resources. Taking particulate flows as an illustrating example application, we present and evaluate load balancing techniques that tackle this challenging task. This involves a load estimation step in which the currently generated workload is predicted. We describe in detail how such a workload estimator can be developed. In a second step, load distribution strategies like space-filling curves or graph partitioning are applied to dynamically distribute the load among the available processes. To compare and analyze their performance, we employ these techniques to a benchmark scenario and observe a reduction of the load imbalances by almost a factor of four. This results in a decrease of the overall runtime by 14% for space-filling curves

Differential-Algebraic Equations and Beyond: From Smooth to Nonsmooth Constrained Dynamical Systems

The present article presents a summarizing view at differential-algebraic equations (DAEs) and analyzes how new application fields and corresponding mathematical models lead to innovations both in theory and in numerical analysis for this problem class. Recent numerical methods for nonsmooth dynamical systems subject to unilateral contact and friction illustrate the topicality of this development.Comment: Preprint of Book Chapte