Studies of molecular bonding, interactions and decomposition reactions on the (001) surface of ruthenium

The interactions of N₂, formic acid and acetone on the Ru(001) surface are studied using thermal desorption mass spectrometry (TDMS), electron energy loss spectroscopy (EELS), and computer modeling.

Low energy electron diffraction (LEED), EELS and TDMS were used to study chemisorption of N₂ on Ru(001). Adsorption at 75 K produces two desorption states. Adsorption at 95 K fills only the higher energy desorption state and produces a (√3 x √3)R30° LEED pattern. EEL spectra indicate both desorption states are populated by N₂ molecules bonded "on-top" of Ru atoms.

Monte Carlo simulation results are presented on Ru(001) using a kinetic lattice gas model with precursor mediated adsorption, desorption and migration. The model gives good agreement with experimental data. The island growth rate was computed using the same model and is well fit by R(t)^m - R(t₀)^m = At, with m approximately 8. The island size was determined from the width of the superlattice diffraction feature.

The techniques, algorithms and computer programs used for simulations are documented. Coordinate schemes for indexing sites on a 2-D hexagonal lattice, programs for simulation of adsorption and desorption, techniques for analysis of ordering, and computer graphics routines are discussed.

The adsorption of formic acid on Ru(001) has been studied by EELS and TDMS. Large exposures produce a molecular multilayer species. A monodentate formate, bidentate formate, and a hydroxyl species are stable intermediates in formic acid decomposition. The monodentate formate species is converted to the bidentate species by heating. Formic acid decomposition products are CO₂, CO, H₂, H₂O and oxygen adatoms. The ratio of desorbed CO with respect to CO₂ increases both with slower heating rates and with lower coverages.

The existence of two different forms of adsorbed acetone, side-on, bonded through the oxygen and acyl carbon, and end-on, bonded through the oxygen, have been verified by EELS. On Pt(111), only the end-on species is observed. On dean Ru(001) and p(2 x 2)O precovered Ru(001), both forms coexist. The side-on species is dominant on clean Ru(001), while O stabilizes the end-on form. The end-on form desorbs molecularly. Bonding geometry stability is explained by surface Lewis acidity and by comparison to organometallic coordination complexes.

Geometric discretization through primal-dual meshes

This thesis introduces new tools for geometric discretization in computer graphics and computational physics. Our work builds upon the duality between weighted triangulations and power diagrams to provide concise, yet expressive discretization of manifolds and differential operators. Our exposition begins with a review of the construction of power diagrams, followed by novel optimization procedures to fully control the local volume and spatial distribution of power cells. Based on this power diagram framework, we develop a new family of discrete differential operators, an effective stippling algorithm, as well as a new fluid solver for Lagrangian particles. We then turn our attention to applications in geometry processing. We show that orthogonal primal-dual meshes augment the notion of local metric in non-flat discrete surfaces. In particular, we introduce a reduced set of coordinates for the construction of orthogonal primal-dual structures of arbitrary topology, and provide alternative metric characterizations through convex optimizations. We finally leverage these novel theoretical contributions to generate well-centered primal-dual meshes, sphere packing on surfaces, and self-supporting triangulations.

Aproximação fisionômica pericial através de função de base radial hermitiana

A aproximação fisionômica é o método que busca, a partir do crânio, simular a fotografia de um indivíduo quando em vida. Deve ser empregada como último recurso, na busca de desaparecidos, quando não houver possibilidade de aplicação de um método válido de identificação. O objetivo deste estudo foi obter a aproximação fisionômica, a partir de um crânio seco e de tomografia computadorizada multislice de indivíduos vivos, através da função de base radial hermitiana (FBRH). Constituiu-se também em avaliar o resultado da mesma quanto ao reconhecimento. Na primeira etapa do estudo, foi utilizada a imagem escaneada de um crânio seco, de origem desconhecida, com o intuito de avaliar se a quantidade de pontos obtidos seria suficiente para aplicação da FBRH e consequente reconstrução da superfície facial. Na segunda fase, foram utilizadas três tomografias de indivíduos vivos, para análise da semelhança alcançada entre a face escaneada e as aproximações faciais. Nesta etapa, foi aplicada uma associação de diferentes metodologias já publicadas, para reconstrução de uma mesma região da face, a partir de um mesmo crânio. Na última etapa, foram simuladas situações de reconhecimento com familiares e amigos dos indivíduos doadores das tomografias. Observou-se que a metodologia de FBRH pode ser empregada em aproximação fisionômica. Houve reconhecimento positivo nos três sujeitos estudados, sendo que, em dois deles, os resultados foram ainda mais significativos. Desta forma, conclui-se que a metodologia é rápida, objetiva e proporciona o reconhecimento. Esta permite a criação de múltiplas versões de aproximações fisionômicas a partir do mesmo crânio, o que amplia as possibilidades de reconhecimento. Observou-se ainda que a técnica não exige habilidade artística do profissional.

嵌入式DSP系统中SDF模型的层次化存储优化方法

在同步数据流模型(SDF)描述的嵌入式数字信号处理(DSP)系统中,计算体单一出现调度(SAS)算法对于存在反馈环和数据密集处理的应用不可解或内存优化效果很差.文中提出了将SAS和Non-SAS类型调度算法相结合的层次化的存储优化方法,定义了数据密集分量和强连通分量来描述环和数据密集处理结构,并依据数据优先消耗原则设计了启发式的Non-SAS调度算法对分量进行存储优化.该方法适用于任意SDF模型,并有良好的存储优化效果.实验结果证明了其有效性.

基于贝塞尔曲线的WSN等值线绘制算法

从无线传感器网络(WSN)环境数值监测应用的实际需求出发,提出了一种应用于该类场景中的等值线绘制(CMBC)算法.CMBC算法基于图形学中常用的贝塞尔(Bezier)曲线理论,通过选择部分节点提供信息给网关节点绘制等值线.此方法有效解决了监测应用场景中对最终监测精度的需求与大量报告节点所引发的高流量负载和网络能耗之间的矛盾.仿真结果表明,CMBC算法和已有研究工作相比能够使用更少的汇报节点完成高精度等值线的绘制,因此CMBC算法能够节省节点的能量,延长网络的生存期.

基于桶内动态融合的透明现象的高效绘制

基于桶排序的顺序独立透明现象绘制算法,采用桶排序原理将投影收集到同一个像素上的多个片元并排序,当发生桶内片元冲突时会产生错误的绘制结果.为此,提出一种基于桶内动态融合的透明现象的高效绘制算法.此算法采用桶内动态融合和并发读/写的方法逐一融合落入同一个桶内的所有片元,并在后处理中按从前向后的顺序融合各个桶内的颜色值.由于同时发生桶内片元冲突和读/写冲突的概率非常小,因而可以大大提高绘制结果的准确性.实验结果表明,与基于桶排序的绘制算法相比,采用文中算法可以更准确地绘制场景,生成与真实结果非常相近的绘制效果,同时算法的效率基本保持不变.

工程地质三维建模与可视化技术应用开发

Synthetic Geology Information System (SGIS) is an important constituent part of the theory of Engineering Geomechanics Mate-Synthetic (EGMS), and is the information system more suited for the collection, storage, management, analysis and processing to the information coming from engineering geology,' geological engineering and geotechnical engineering. Its contents involve various works and methods of the investigation, design, and construction in different stages of the geological engineering. Engineering geological and three-dimensional modeling and visualization is the fundamental part of the SGIS, and is a theory, method and technique by which, adopting the computer graphics and image processing techniques, the data derived from engineering geological survey and the calculated results obtained from the geomechanical numerical simulation and analysis are converted to the graphics and images displayed on the computer screen and can be processed interactively. In this paper, the significance and realizing approaches of the three-dimensional modeling and visualization for the complex geological mass in the engineering geology are discussed and the methods of taking advantage of the interpolation and fitting for the scattered and field-surveyed data to simulate the geological layers, such as the topography and earth surface, the groundwater table and the stratum boundary, are researched into. At the mean time, in mind the characteristics of the structure of the basic data for three-dimensional modeling, its visual management can be resolved into the engineering surveyed database management module, plot parameter management module and data output module and the requirement for basic data management can be fulfilled. In the paper, the establishment and development of the three-dimensional geological information system are probed tentatively, and an instance of three-dimensional visual Engineering Distribution Information System (EDIS), theConstruction Management Information System for an airport, in which the functions, such as the real-time browse among the three-dimensional virtual-reality landscapes of the airport construction from start to finish, the information query to the airport facility and the building in the housing district and the recording and playback of the animation sets for the browse and the takeoff and landing of the planes, is developed by applying the component-mode three-dimensional virtual-reality geological information system (GIS) software development kits (SDK), so the three-dimensional visual management platform is provided for the airport construction. Moreover, in the gaper, integrated with the three-dimensional topography visualization and its application in the Sichuan-Tibet Highways, the method of the digital elevation model (DEM) data collection from the topographic maps is described, and the three-dimensional visualization and the roaming about the terrain along the highway are achieved through computer language programming. Understanding to the important role played by the varied and unique topographical condition in the gestation and germination of the highly-dense, frequently-arising and severely-endangered geological hazards can be deepened.

地震勘探三维可视化方法研究与实现

This thesis mainly studies the technologies of 3-D seismic visualization and Graphic User Interface of seismic processing software. By studying Computer Graphics and 3-D geological modeling, the author designs and implements the visualization module of seismic data processing software using OpenGL and Motif. Setting seismic visualization flow as the subject, NURBS surface approximation and Delaunay Triangulation as the two different methods, the thesis discusses the key algorithms and technologies of seismic visualization and attempts to apply Octree Space Partitioning and Mip Mapping to enhance system performance. According to the research mentioned above, in view of portability and scalability, the author adopts Object-oriented Analysis and Object-oriented Design, uses standard C++ as programming language, OpenGL as 3-D graphics library and Motif as GUI developing tool to implement the seismic visualization framework on SGI Irix platform. This thesis also studies the solution of fluid equations in porous media. 2-D alternating direction implicit procedure has been turned into 3-D successive over relaxation iteration, which possesses such virtues as faster computing speed, faster convergence rate, better adaptability to heterogeneous media and less memory demanding.

Estimation of Pose and Illuminant Direction for Face Processing

In this paper three problems related to the analysis of facial images are addressed: the illuminant direction, the compensation of illumination effects and, finally, the recovery of the pose of the face, restricted to in-depth rotations. The solutions proposed for these problems rely on the use of computer graphics techniques to provide images of faces under different illumination and pose, starting from a database of frontal views under frontal illumination.

The Specialized Mappings Architecture

A probabilistic, nonlinear supervised learning model is proposed: the Specialized Mappings Architecture (SMA). The SMA employs a set of several forward mapping functions that are estimated automatically from training data. Each specialized function maps certain domains of the input space (e.g., image features) onto the output space (e.g., articulated body parameters). The SMA can model ambiguous, one-to-many mappings that may yield multiple valid output hypotheses. Once learned, the mapping functions generate a set of output hypotheses for a given input via a statistical inference procedure. The SMA inference procedure incorporates an inverse mapping or feedback function in evaluating the likelihood of each of the hypothesis. Possible feedback functions include computer graphics rendering routines that can generate images for given hypotheses. The SMA employs a variant of the Expectation-Maximization algorithm for simultaneous learning of the specialized domains along with the mapping functions, and approximate strategies for inference. The framework is demonstrated in a computer vision system that can estimate the articulated pose parameters of a human’s body or hands, given silhouettes from a single image. The accuracy and stability of the SMA are also tested using synthetic images of human bodies and hands, where ground truth is known.

Model and visualise the relationship between energy consumption and temperature distribution in cold rooms

In the area of food and pharmacy cold storage, temperature distribution is considered as a key factor. Inappropriate distribution of temperature during the cooling process in cold rooms will cause the deterioration of the quality of products and therefore shorten their life-span. In practice, in order to maintain the distribution of temperature at an appropriate level, large amount of electrical energy has to be consumed to cool down the volume of space, based on the reading of a single temperature sensor placed in every cold room. However, it is not clear and visible that what is the change of energy consumption and temperature distribution over time. It lacks of effective tools to visualise such a phenomenon. In this poster, we initially present a solution which combines a visualisation tool with a Computational Fluid Dynamics (CFD) model together to enable users to explore such phenomenon.