Surface and subsurface products of the interaction of O2 with Ag under catalytic conditions

Polycrystalline Ag treated with O₂ at pressures up to 1 bar and at temperatures up to 920 K was examined by TDS. It was found that the peak commonly observed at 595±25 K and assigned to adsorbed atomic oxygen (O_a) is shifted to higher desorption temperatures with rising dosing temperatures. Since saturation of the uptake was not possible either, this peak was identified as dissolved atomic oxygen (O_d). The existence of a maximum for the O₂ uptake after exposure at 820 K was found. Hence, under conditions of formaldehyde synthesis ( 920 K) the ability of the catalyst to dissolve oxygen is near its maximum.     

Preparation and characterization of a model system for the study of monolayers and multilayers of vanadia supported on titania

A model system for the study of structural and chemical properties of monolayers and multilayers of vanadium oxide immobilized on titania is presented. Investigation of the planar oxide-oxide interface by XP, UV and IS spectroscopy indicated that vanadium immobilized by a single impregnation step exists as an incomplete heterogeneous layer containing well dispersed V⁴⁺ species. Increase of the vanadia loading by multiple impregnations led to vanadia agglomerates with higher apparent oxidation state of the vanadium. TD spectroscopy with O₂ and CO₂ as probe molecules revealed that the chemical reactivity of the vanadia surface species depends on their structure. The surface containing well-dispersed vanadia species exchanged oxygen more easily and showed pronounced interactions with CO₂.     

The nature of the active phase of the Fe/K-catalyst for dehydrogenation of ethylbenzene

The industrial catalyst for high temperature dehydrogenation of ethylbenzene based on iron and potassium oxides undergoes, under reaction conditions, essentially a transformation into magnetite, Fe₃O₄, and a mixture of ternary oxides containing trivalent iron, viz. K₂Fe₂₂O₃₄ and KFeO₂. The latter compound constitutes the outside of the catalyst particles and is indeed the catalytically active phase.     

On the nature of the active state of silver during catalytic oxidation of methanol

Under the applied high reaction temperatures (900 K) the Ag surface is restructured and a tightly held oxygen species is formed on the surface (O) apart from O atoms dissolved in the bulk (O). Methanol oxidation to formaldehyde proceeds through this O species as demonstrated by application of a variety of spectroscopic techniques.     

Oxidative coupling of methane on silver catalysts

Bulk silver catalysts were found to be active for the oxidative coupling of methane to ethane and ethylene if operated under oxygen-limited conditions at atmospheric pressure and at temperatures above 1020 K. The addition of small amounts of sodium phosphate as promoter increases markedly the C₂ selectivity (to values above 90%) and yield (>10%) by efficient suppression of reaction steps leading to total oxidation. Further improvement of the yields might be achieved by more appropriate reactor design.     

Photoelasticity Raycasting

We present a novel physically‐based method to visualize stress tensor fields. By incorporating photoelasticity into traditional raycasting and extending it with reflection and refraction, taking into account polarization, we obtain the virtual counterpart to traditional experimental polariscopes. This allows us to provide photoelastic analysis of stress tensor fields in arbitrary domains. In our model, the optical material properties, such as stress‐optic coefficient and refractive index, can either be chosen in compliance with the subject under investigation, or, in case of stress problems that do not model optical properties or that are not transparent, be chosen according to known or even new transparent materials. This enables direct application of established polariscope methodology together with respective interpretation. Using a GPU‐based implementation, we compare our technique to experimental data, and demonstrate its utility with several simulated datasets.     

Coherent Culling and Shading for Large Molecular Dynamics Visualization

Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical properties, as well as a replacement for, or complement to, costly and dangerous experiments. With the increasing availability of computational power the resulting data sets are becoming increasingly larger, and benchmarks indicate that the interactive visualization on desktop computers poses a challenge when rendering substantially more than millions of glyphs. Trading visual quality for rendering performance is a common approach when interactivity has to be guaranteed. In this paper we address both problems and present a method for high‐quality visualization of massive molecular dynamics data sets. We employ several optimization strategies on different levels of granularity, such as data quantization, data caching in video memory, and a two‐level occlusion culling strategy: coarse culling via hardware occlusion queries and a vertex‐level culling using maximum depth mipmaps. To ensure optimal image quality we employ GPU raycasting and deferred shading with smooth normal vector generation. We demonstrate that our method allows us to interactively render data sets containing tens of millions of high‐quality glyphs.     

Interactive High‐Quality Visualization of Higher‐Order Finite Elements

Higher‐order finite element methods have emerged as an important discretization scheme for simulation. They are increasingly used in contemporary numerical solvers, generating a new class of data that must be analyzed by scientists and engineers. Currently available visualization tools for this type of data are either batch oriented or limited to certain cell types and polynomial degrees. Other approaches approximate higher‐order data by resampling resulting in trade‐offs in interactivity and quality. To overcome these limitations, we have developed a distributed visualization system which allows for interactive exploration of non‐conforming unstructured grids, resulting from space‐time discontinuous Galerkin simulations, in which each cell has its own higher‐order polynomial solution. Our system employs GPU‐based raycasting for direct volume rendering of complex grids which feature non‐convex, curvilinear cells with varying polynomial degree. Frequency‐based adaptive sampling accounts for the high variations along rays. For distribution across a GPU cluster, the initial object‐space partitioning is determined by cell characteristics like the polynomial degree and is adapted at runtime by a load balancing mechanism. The performance and utility of our system is evaluated for different aeroacoustic simulations involving the propagation of shock fronts.     

Visual signatures in video visualization

Video visualization is a computation process that extracts meaningful information from original video data sets and conveys the extracted information to users in appropriate visual representations. This paper presents a broad treatment of the subject, following a typical research pipeline involving concept formulation, system development, a path-finding user study, and a field trial with real application data. In particular, we have conducted a fundamental study on the visualization of motion events in videos. We have, for the first time, deployed flow visualization techniques in video visualization. We have compared the effectiveness of different abstract visual representations of videos. We have conducted a user study to examine whether users are able to learn to recognize visual signatures of motions, and to assist in the evaluation of different visualization techniques. We have applied our understanding and the developed techniques to a set of application video clips. Our study has demonstrated that video visualization is both technically feasible and cost-effective. It has provided the first set of evidence confirming that ordinary users can be accustomed to the visual features depicted in video visualizations, and can learn to recognize visual signatures of a variety of motion events.