Visualization of Time-Varying Data from Atomistic Simulations and Computational Fluid Dynamics

Time-varying data from simulations of dynamical systems are rich in spatio-temporal information. A key challenge is how to analyze such data for extracting useful information from the data and displaying spatially evolving features in the space-time domain of interest. We develop/implement multiple approaches toward visualization-based analysis of time-varying data obtained from two common types of dynamical simulations: molecular dynamics (MD) and computational fluid dynamics (CFD). We also make application case studies. Parallel first-principles molecular dynamics simulations produce massive amounts of time-varying three-dimensional scattered data representing atomic (molecular) configurations for material system being simulated. Rendering the atomic position-time series along with the extracted additional information helps us understand the microscopic processes in complex material system at atomic length and time scales. Radial distribution functions, coordination environments, and clusters are computed and rendered for visualizing structural behavior of the simulated material systems. Atom (particle) trajectories and displacement data are extracted and rendered for visualizing dynamical behavior of the system. While improving our atomistic visualization system to make it versatile, stable and scalable, we focus mainly on atomic trajectories. Trajectory rendering can represent complete simulation information in a single display; however, trajectories get crowded and the associated clutter/occlusion problem becomes serious for even moderate data size. We present and assess various approaches for clutter reduction including constrained rendering, basic and adaptive position merging, and information encoding. Data model with HDF5 and partial I/O, and GLSL shading are adopted to enhance the rendering speed and quality of the trajectories. For applications, a detailed visualization-based analysis is carried out for simulated silicate melts such as model basalt systems. On the other hand, CFD produces temporally and spatially resolved numerical data for fluid systems consisting of a million to tens of millions of cells (mesh points). We implement time surfaces (in particular, evolving surfaces of spheres) for visualizing the vector (flow) field to study the simulated mixing of fluids in the stirred tank

Using Grazing Incidence Small-Angle X-Ray Scattering (GISAXS) for Semiconductor Nanometrology and Defect Quantification

Hintergrund: Die Entwicklung von Nanotechnologien und insbesondere integrierten Schaltkreisen beruht auf dem Verständnis von Struktur und Funktion auf der Nanoskala, wofür exakte Messungen erforderlich sind. Kleinwinkel-Röntgenstreuung unter streifendem Einfall (GISAXS) ist eine Methode zur schnellen, berührungs- und zerstörungsfreien dimensionellen Messung von nanostrukturierten Oberflächen. Ziele: Es soll die Möglichkeit untersucht werden, die zunehmend komplexeren Proben aus Wissenschaft und Industrie mit Hilfe von GISAXS präzise zu vermessen. Ein weiteres Ziel ist es, Messtargets aus der Halbleiter-Qualitätskontrolle mit einer Größe von ca. 40x40 µm² zu messen, deren Signal typischerweise nicht zugänglich ist, weil ein Bereich von ca. 1x20 mm² auf einmal beleuchtet wird. Methoden: Synchrotron-basierte GISAXS-Messungen verschiedener Proben werden mit Hilfe einer Fourier-Konstruktion, der "distorted wave Born approximation" und einem Maxwell-Gleichungs-Löser basierend auf finiten Elementen analysiert. Ergebnisse: Aus GISAXS-Messungen kann die Linienform von Gittern mit einer Periode von 32 nm rekonstruiert werden und sie weicht weniger als 2 nm von Referenzmessungen ab. Eine sorgfältige Bayes'sche Unsicherheitsanalyse zeigt jedoch, dass wichtige dimensionelle Parameter innerhalb der Unsicherheiten nicht übereinstimmen. Für die Messung von kleinen Gittertargets entwerfe ich ein neuartiges Probendesign, bei dem das Target in Bezug auf die umgebenden Strukturen gedreht wird, und stelle fest, dass dadurch parasitäre Streuung effizient unterdrückt wird. Fazit: GISAXS-Messungen von komplexen Nanostrukturen und kleinen Targets sind möglich, jedoch würde GISAXS enorm von effizienteren Simulationsmethoden profitieren, die alle relevanten Effekte wie Rauhigkeit und Randeffekte einbeziehen. Hier gibt es vielversprechende theoretische Ansätze, so dass GISAXS eine zusätzliche Methode für die Halbleiter-Qualitätskontrolle werden könnte.Background. The development of nanotechnology such as integrated circuits relies on an understanding of structure and function at the nanoscale, for which reliable and exact measurements are needed. Grazing-incidence small angle X-ray scattering (GISAXS) is a versatile method for the fast, contactless and destruction-free measurement of sizes and shapes of nanostructures on surfaces. Aims. A goal of this work is to investigate the possibility of precisely measuring the increasingly complex samples produced in science and industry using GISAXS. A second objective is to measure targets used in semiconductor quality control with a size of approx. 40x40 µm², whose signal is typically not accessible because an area of approx. 1x20 mm² is illuminated at once. Methods. I take synchrotron-based GISAXS measurements and analyze them using reciprocal space construction, the distorted wave born approximation, and a solver for Maxwell's equations based on finite elements. Results. I find that the line shape of gratings with a period of 32 nm can be reconstructed from GISAXS measurements and the results deviate less than 2 nm from reference measurements; however, a careful Bayesian uncertainty analysis shows that key dimensional parameters do not agree within the uncertainties. For the measurement of small grating targets, I create a novel sample design where the target is rotated with respect to the surrounding structures and find that this efficiently suppresses parasitic scattering. Conclusions. I show that GISAXS measurements of complex nanostructures and small targets are possible, and I highlight that further development of GISAXS would benefit tremendously from efficient simulation methods which describe all relevant effects such as roughness and edge effects. Promising theoretical approaches exist, so that GISAXS has the potential to become an additional method in the toolkit of semiconductor quality control

The Sixth Annual Workshop on Space Operations Applications and Research (SOAR 1992)

This document contains papers presented at the Space Operations, Applications, and Research Symposium (SOAR) hosted by the U.S. Air Force (USAF) on 4-6 Aug. 1992 and held at the JSC Gilruth Recreation Center. The symposium was cosponsored by the Air Force Material Command and by NASA/JSC. Key technical areas covered during the symposium were robotic and telepresence, automation and intelligent systems, human factors, life sciences, and space maintenance and servicing. The SOAR differed from most other conferences in that it was concerned with Government-sponsored research and development relevant to aerospace operations. The symposium's proceedings include papers covering various disciplines presented by experts from NASA, the USAF, universities, and industry

Surface interaction : separating direct manipulation interfaces from their applications.

To promote both quality and economy in the production of applications and their interactive interfaces, it is desirable to delay their mutual binding. The later the binding, the more separable the interface from its application. An ideally separated interface can factor tasks from a range of applications, can provide a level of independence from hardware I/O devices, and can be responsive to end-user requirements. Current interface systems base their separation on two different abstractions. In linguistic architectures, for example User Interface Management Systems in the Seeheim model, the dialogue or syntax of interaction is abstracted in a separate notation. In agent architectures like Toolkits, interactive devices, at various levels of complexity, are abstracted into a class or call hierarchy. This Thesis identifies an essential feature of the popular notion of direct manipulation: directness requires that the same object be used both for output and input. In practice this compromises the separation of both dialogue and devices. In addition, dialogue cannot usefully be abstracted from its application functionality, while device abstraction reduces the designer's expressive control by binding presentation style to application semantics. This Thesis proposes an alternative separation, based on the abstraction of the medium of interaction, together with a dedicated user agent which allows direct manipulation of the medium. This interactive medium is called the surface. The Thesis proposes two new models for the surface, the first of which has been implemented as Presenter, the second of which is an ideal design permitting document quality interfaces. The major contribution of the Thesis is a precise specification of an architecture (UMA), whereby a separated surface can preserve directness without binding in application semantics, and at the same time an application can express its semantics on the surface without needing to manage all the details of interaction. Thus UMA partitions interaction into Surface Interaction, and deep interaction. Surface Interaction factors a large portion of the task of maintaining a highly manipulable interface, and brings the roles of user and application designer closer

The International Linear Collider Technical Design Report - Volume 4: Detectors

The International Linear Collider Technical Design Report (TDR) describes in four volumes the physics case and the design of a 500 GeV centre-of-mass energy linear electron-positron collider based on superconducting radio-frequency technology using Niobium cavities as the accelerating structures. The accelerator can be extended to 1 TeV and also run as a Higgs factory at around 250 GeV and on the Z0 pole. A comprehensive value estimate of the accelerator is give, together with associated uncertainties. It is shown that no significant technical issues remain to be solved. Once a site is selected and the necessary site-dependent engineering is carried out, construction can begin immediately. The TDR also gives baseline documentation for two high-performance detectors that can share the ILC luminosity by being moved into and out of the beam line in a "push-pull" configuration. These detectors, ILD and SiD, are described in detail. They form the basis for a world-class experimental programme that promises to increase significantly our understanding of the fundamental processes that govern the evolution of the Universe.Comment: See also http://www.linearcollider.org/ILC/TDR . The full list of signatories is inside the Repor

2009 Annual Progress Report: DOE Hydrogen Program

This report summarizes the hydrogen and fuel cell R&D activities and accomplishments of the DOE Hydrogen Program for FY2009. It covers the program areas of hydrogen production and delivery; fuel cells; manufacturing; technology validation; safety, codes and standards; education; and systems analysis