Interactive Visualization of the Largest Radioastronomy Cubes

3D visualization is an important data analysis and knowledge discovery tool, however, interactive visualization of large 3D astronomical datasets poses a challenge for many existing data visualization packages. We present a solution to interactively visualize larger-than-memory 3D astronomical data cubes by utilizing a heterogeneous cluster of CPUs and GPUs. The system partitions the data volume into smaller sub-volumes that are distributed over the rendering workstations. A GPU-based ray casting volume rendering is performed to generate images for each sub-volume, which are composited to generate the whole volume output, and returned to the user. Datasets including the HI Parkes All Sky Survey (HIPASS - 12 GB) southern sky and the Galactic All Sky Survey (GASS - 26 GB) data cubes were used to demonstrate our framework's performance. The framework can render the GASS data cube with a maximum render time < 0.3 second with 1024 x 1024 pixels output resolution using 3 rendering workstations and 8 GPUs. Our framework will scale to visualize larger datasets, even of Terabyte order, if proper hardware infrastructure is available.Comment: 15 pages, 12 figures, Accepted New Astronomy July 201

Vorticity-transport and unstructured RANS investigation of rotor-fuselage interactions

The prediction capabilities of unstructured primitive-variable and vorticity-transport-based Navier-Stokes solvers have been compared for rotorcraft-fuselage interaction. Their accuracies have been assessed using the NASA Langley ROBIN series of experiments. Correlation of steady pressure on the isolated fuselage delineates the differences between the viscous and inviscid solvers. The influence of the individual blade passage, model supports, and viscous effects on the unsteady pressure loading has been studied. Smoke visualization from the ROBIN experiment has been used to determine the ability of the codes to predict the wake geometry. The two computational methods are observed to provide similar results within the context of their physical assumptions and simplifications in the test configuration

Physics-based visual characterization of molecular interaction forces

Molecular simulations are used in many areas of biotechnology, such as drug design and enzyme engineering. Despite the development of automatic computational protocols, analysis of molecular interactions is still a major aspect where human comprehension and intuition are key to accelerate, analyze, and propose modifications to the molecule of interest. Most visualization algorithms help the users by providing an accurate depiction of the spatial arrangement: the atoms involved in inter-molecular contacts. There are few tools that provide visual information on the forces governing molecular docking. However, these tools, commonly restricted to close interaction between atoms, do not consider whole simulation paths, long-range distances and, importantly, do not provide visual cues for a quick and intuitive comprehension of the energy functions (modeling intermolecular interactions) involved. In this paper, we propose visualizations designed to enable the characterization of interaction forces by taking into account several relevant variables such as molecule-ligand distance and the energy function, which is essential to understand binding affinities. We put emphasis on mapping molecular docking paths obtained from Molecular Dynamics or Monte Carlo simulations, and provide time-dependent visualizations for different energy components and particle resolutions: atoms, groups or residues. The presented visualizations have the potential to support domain experts in a more efficient drug or enzyme design process.Peer ReviewedPostprint (author's final draft

Kassiopeia: A Modern, Extensible C++ Particle Tracking Package

The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle tracking simulations which targets experiments containing complex geometries and electromagnetic fields, with high priority put on calculation efficiency, customizability, extensibility, and ease of use for novice programmers. To solve Kassiopeia's target physics problem the software is capable of simulating particle trajectories governed by arbitrarily complex differential equations of motion, continuous physics processes that may in part be modeled as terms perturbing that equation of motion, stochastic processes that occur in flight such as bulk scattering and decay, and stochastic surface processes occuring at interfaces, including transmission and reflection effects. This entire set of computations takes place against the backdrop of a rich geometry package which serves a variety of roles, including initialization of electromagnetic field simulations and the support of state-dependent algorithm-swapping and behavioral changes as a particle's state evolves. Thanks to the very general approach taken by Kassiopeia it can be used by other experiments facing similar challenges when calculating particle trajectories in electromagnetic fields. It is publicly available at https://github.com/KATRIN-Experiment/Kassiopei