Interactive ray tracing of solvent excluded surfaces

Domain experts in fields concerned with the behavior of molecules, for example biochemists, employ simulations to study a molecule’s individual properties and mutual interactions with other molecules. To obtain an intuitive spatial understanding of the returned data of the simulations, various visualization techniques such as molecular surfaces can be applied on the data. The solvent excluded surface depicts the boundary between the molecule’s and a solvent’s occupied space and therefore the molecules accessibility for the solvent. Insight about a molecule’s potential for interaction such as reactions can be gained by studying the surface’s shape visually. Current implementations for the visualization of the surface usually utilize GPU ray casting to achieve the performance required to allow interactivity such as viewpoint changing. However, this makes implementation of physically motivated effects like ambient occlusion or global illumination difficult. If compute resources do not contain GPUs, which is often the case in compute clusters, expensive software rasterization has to be employed instead. As CPUs offer less parallelism compared to GPUs, overhead introduced by the overdraw of thousands of primitives should be avoided. To mitigate these issues, CPU visualization approaches resurfaced again in recent times. In this work, the solvent excluded surface is visualized interactively using the classic ray tracing approach within the OSPRay CPU ray tracing framework. The described implementation is able to compute and visualize the solvent excluded surface for datasets composed of millions of atoms. Additionally, the surface supports transparency rendering, which allows implementation of a cavity visualization method that uses ambient occlusion

Efficient and High-Quality Rendering of Higher-Order Geometric Data Representations

Computer-Aided Design (CAD) bezeichnet den Entwurf industrieller Produkte mit Hilfe von virtuellen 3D Modellen. Ein CAD-Modell besteht aus parametrischen Kurven und Flächen, in den meisten Fällen non-uniform rational B-Splines (NURBS). Diese mathematische Beschreibung wird ebenfalls zur Analyse, Optimierung und Präsentation des Modells verwendet. In jeder dieser Entwicklungsphasen wird eine unterschiedliche visuelle Darstellung benötigt, um den entsprechenden Nutzern ein geeignetes Feedback zu geben. Designer bevorzugen beispielsweise illustrative oder realistische Darstellungen, Ingenieure benötigen eine verständliche Visualisierung der Simulationsergebnisse, während eine immersive 3D Darstellung bei einer Benutzbarkeitsanalyse oder der Designauswahl hilfreich sein kann. Die interaktive Darstellung von NURBS-Modellen und -Simulationsdaten ist jedoch aufgrund des hohen Rechenaufwandes und der eingeschränkten Hardwareunterstützung eine große Herausforderung. Diese Arbeit stellt vier neuartige Verfahren vor, welche sich mit der interaktiven Darstellung von NURBS-Modellen und Simulationensdaten befassen. Die vorgestellten Algorithmen nutzen neue Fähigkeiten aktueller Grafikkarten aus, um den Stand der Technik bezüglich Qualität, Effizienz und Darstellungsgeschwindigkeit zu verbessern. Zwei dieser Verfahren befassen sich mit der direkten Darstellung der parametrischen Beschreibung ohne Approximationen oder zeitaufwändige Vorberechnungen. Die dabei vorgestellten Datenstrukturen und Algorithmen ermöglichen die effiziente Unterteilung, Klassifizierung, Tessellierung und Darstellung getrimmter NURBS-Flächen und einen interaktiven Ray-Casting-Algorithmus für die Isoflächenvisualisierung von NURBSbasierten isogeometrischen Analysen. Die weiteren zwei Verfahren beschreiben zum einen das vielseitige Konzept der programmierbaren Transparenz für illustrative und verständliche Visualisierungen tiefenkomplexer CAD-Modelle und zum anderen eine neue hybride Methode zur Reprojektion halbtransparenter und undurchsichtiger Bildinformation für die Beschleunigung der Erzeugung von stereoskopischen Bildpaaren. Die beiden letztgenannten Ansätze basieren auf rasterisierter Geometrie und sind somit ebenfalls für normale Dreiecksmodelle anwendbar, wodurch die Arbeiten auch einen wichtigen Beitrag in den Bereichen der Computergrafik und der virtuellen Realität darstellen. Die Auswertung der Arbeit wurde mit großen, realen NURBS-Datensätzen durchgeführt. Die Resultate zeigen, dass die direkte Darstellung auf Grundlage der parametrischen Beschreibung mit interaktiven Bildwiederholraten und in subpixelgenauer Qualität möglich ist. Die Einführung programmierbarer Transparenz ermöglicht zudem die Umsetzung kollaborativer 3D Interaktionstechniken für die Exploration der Modelle in virtuellenUmgebungen sowie illustrative und verständliche Visualisierungen tiefenkomplexer CAD-Modelle. Die Erzeugung stereoskopischer Bildpaare für die interaktive Visualisierung auf 3D Displays konnte beschleunigt werden. Diese messbare Verbesserung wurde zudem im Rahmen einer Nutzerstudie als wahrnehmbar und vorteilhaft befunden.In computer-aided design (CAD), industrial products are designed using a virtual 3D model. A CAD model typically consists of curves and surfaces in a parametric representation, in most cases, non-uniform rational B-splines (NURBS). The same representation is also used for the analysis, optimization and presentation of the model. In each phase of this process, different visualizations are required to provide an appropriate user feedback. Designers work with illustrative and realistic renderings, engineers need a comprehensible visualization of the simulation results, and usability studies or product presentations benefit from using a 3D display. However, the interactive visualization of NURBS models and corresponding physical simulations is a challenging task because of the computational complexity and the limited graphics hardware support. This thesis proposes four novel rendering approaches that improve the interactive visualization of CAD models and their analysis. The presented algorithms exploit latest graphics hardware capabilities to advance the state-of-the-art in terms of quality, efficiency and performance. In particular, two approaches describe the direct rendering of the parametric representation without precomputed approximations and timeconsuming pre-processing steps. New data structures and algorithms are presented for the efficient partition, classification, tessellation, and rendering of trimmed NURBS surfaces as well as the first direct isosurface ray-casting approach for NURBS-based isogeometric analysis. The other two approaches introduce the versatile concept of programmable order-independent semi-transparency for the illustrative and comprehensible visualization of depth-complex CAD models, and a novel method for the hybrid reprojection of opaque and semi-transparent image information to accelerate stereoscopic rendering. Both approaches are also applicable to standard polygonal geometry which contributes to the computer graphics and virtual reality research communities. The evaluation is based on real-world NURBS-based models and simulation data. The results show that rendering can be performed directly on the underlying parametric representation with interactive frame rates and subpixel-precise image results. The computational costs of additional visualization effects, such as semi-transparency and stereoscopic rendering, are reduced to maintain interactive frame rates. The benefit of this performance gain was confirmed by quantitative measurements and a pilot user study

Hardware accelerated volume texturing.

The emergence of volume graphics, a sub field in computer graphics, has been evident for the last 15 years. Growing from scientific visualization problems, volume graphics has established itself as an important field in general computer graphics. However, the general graphics fraternity still favour the established surface graphics techniques. This is due to well founded and established techniques and a complete pipeline through software onto display hardware. This enables real-time applications to be constructed with ease and used by a wide range of end users due to the readily available graphics hardware adopted by many computer manufacturers. Volume graphics has traditionally been restricted to high-end systems due to the complexity involved with rendering volume datasets. Either specialised graphics hardware or powerful computers were required to generate images, many of these not in real-time. Although there have been specialised hardware solutions to the volume rendering problem, the adoption of the volume dataset as a primitive relies on end-users with commodity hardware being able to display images at interactive rates. The recent emergence of programmable consumer level graphics hardware is now allowing these platforms to compute volume rendering at interactive rates. Most of the work in this field is directed towards scientific visualisation. The work in this thesis addresses the issues in providing real-time volume graphics techniques to the general graphics community using commodity graphics hardware. Real-time texturing of volumetric data is explored as an important set of techniques in delivering volume datasets as a general graphics primitive. The main contributions of this work are; The introduction of efficient acceleration techniques; Interactive display of amorphous phenomena modelled outside an object defined in a volume dataset; Interactive procedural texture synthesis for volume data; 2D texturing techniques and extensions for volume data in real-time; A flexible surface detail mapping algorithm that removes many previous restrictions Parts of this work have been presented at the 4th International Workshop on Volume Graphics and also published in Volume Graphics 2005

Ray Tracing Gems

This book is a must-have for anyone serious about rendering in real time. With the announcement of new ray tracing APIs and hardware to support them, developers can easily create real-time applications with ray tracing as a core component. As ray tracing on the GPU becomes faster, it will play a more central role in real-time rendering. Ray Tracing Gems provides key building blocks for developers of games, architectural applications, visualizations, and more. Experts in rendering share their knowledge by explaining everything from nitty-gritty techniques that will improve any ray tracer to mastery of the new capabilities of current and future hardware. What you'll learn: The latest ray tracing techniques for developing real-time applications in multiple domains Guidance, advice, and best practices for rendering applications with Microsoft DirectX Raytracing (DXR) How to implement high-performance graphics for interactive visualizations, games, simulations, and more Who this book is for: Developers who are looking to leverage the latest APIs and GPU technology for real-time rendering and ray tracing Students looking to learn about best practices in these areas Enthusiasts who want to understand and experiment with their new GPU

GEANT4 : a simulation toolkit

Abstract Geant4 is a toolkit for simulating the passage of particles through matter. It includes a complete range of functionality including tracking, geometry, physics models and hits. The physics processes offered cover a comprehensive range, including electromagnetic, hadronic and optical processes, a large set of long-lived particles, materials and elements, over a wide energy range starting, in some cases, from 250 eV and extending in others to the TeV energy range. It has been designed and constructed to expose the physics models utilised, to handle complex geometries, and to enable its easy adaptation for optimal use in different sets of applications. The toolkit is the result of a worldwide collaboration of physicists and software engineers. It has been created exploiting software engineering and object-oriented technology and implemented in the C++ programming language. It has been used in applications in particle physics, nuclear physics, accelerator design, space engineering and medical physics. PACS: 07.05.Tp; 13; 2

The development of GIS to aid conservation of architectural and archaeological sites using digital terrestrial photogrammetry

This thesis is concerned with the creation and implementation of an Architectural/Archaeological information System (A/AIS) by integrating digital terrestrial photogrammetry and CAD facilities as applicable to the requirements of architects, archaeologists and civil engineers. Architects and archaeologists are involved with the measurement, analysis and recording of the historical buildings and monuments. Hard-copy photogrammetric methods supporting such analyses and documentation are well established. But the requirement to interpret, classify and quantitatively process photographs can be time consuming. Also, they have limited application and cannot be re-examined if the information desired is not directly presented and a much more challenging extraction of 3-D coordinates than in a digital photogrammetric environment. The A/AIS has been developed to the point that it can provide a precise and reliable technique for non-contact 3-D measurements. The speed of on-line data acquisition, high degree of automation and adaptability has made this technique a powerful measurement tool with a great number of applications for architectural or archaeological sites. The designed tool (A/AIS) has been successful in producing the expected results in tasks examined for St. Avit Senieur Abbey in France, Strome Castle in Scotland, Gilbert Scott Building of Glasgow University, Hunter Memorial in Glasgow University and Anobanini Rock in Iran. The goals of this research were: to extract, using digital photogrammetric digitising, 3-D coordinates of architectural/archaeological features, to identify an appropriate 3-D model, to import 3-D points/lines into an appropriate 3-D modeller, to generate 3-D objects. to design and implement a prototype architectural Information System using the above 3-D model, to compare this approach to traditional approaches of measuring and archiving required information. An assessment of the contribution of digital photogrammetry, GIS and CAD to the surveying, conservation, recording and documentation of historical buildings and cultural monuments include digital rectification and restitution, feature extraction for the creation of 3-D digital models and the computer visualisation are the focus of this research

CYBER 200 Applications Seminar

Applications suited for the CYBER 200 digital computer are discussed. Various areas of application including meteorology, algorithms, fluid dynamics, monte carlo methods, petroleum, electronic circuit simulation, biochemistry, lattice gauge theory, economics and ray tracing are discussed