Ab Initio Study Of Zno-Based Gas-Sensing Mechanisms: Surface Reconstruction And Charge Transfer

Density functional theory (DFT) calculations were employed to explore the gas-sensing mechanisms of zinc oxide (ZnO) with surface reconstruction taken into consideration. Mix-terminated (10 (1) over bar0) ZnO surfaces were examined. By simulating the adsorption process of various gases, i.e., H-2, NH3, CO, and ethanol (C2H5OH) gases, on the ZnO (10 (1) over bar0) surface, the changes of configuration and electronic structure were compared. Based on these calculations, two gas-sensing mechanisms were proposed and revealed that both surface reconstruction and charge transfer result in a change of electronic conductance of ZnO. Also, the calculations were compared with existing experiments.

Contributions to the analysis and segmentation of remote sensing hyperspectral images

142 p.

[B_Muskiz_Muñatones] Documentación geométrica y modelado virtual del Castillo de Muñatones (Muskiz, Bizkaia)

[ES] Este proyecto tuvo una continuación en 2008, cuando se documentó la muralla interior del castillo. Este trabajo también está disponible en este repositorio. Asimismo, algunos artículos y proyectos fin de carrera hacen referencia a los datos capturados en este proyecto. En concreto, los registros relacionados son los siguientes:

Comportamiento físico del ferrocarril para entornos de realidad virtual

El objetivo de este proyecto es la simulación de la Flota P del fabricante CAF comprado recientemente por la compañía Metro Sao Paulo. Esta flota forma parte de un proyecto con cuatro trenes más que LANDER había desarrollado anteriormente y deja la posibilidad de añadir más trenes en el futuro, si la compañía quisiera incorporarlos al simulador. La simulación es una herramienta segura y rentable que permite entrenar situaciones catastróficas en un entorno virtual que no se pueden reproducir en la realidad y, además, evita gastos de electricidad y de desgaste de materiales, tanto del material rodante como de la infraestructura porque la que se mueve el tren. Por otra parte, para el entrenamiento de maquinistas en trenes reales se emplean las horas nocturnas ya que durante el día las vías están ocupadas por trenes que deben cumplir horarios de las líneas; por tanto, un simulador ofrece una amplia disponibilidad para el entrenamiento. Sin embargo, los simuladores no sólo se emplean con futuros maquinistas sino con maquinistas veteranos para evitar que aquellos que nunca han tenido ningún contratiempo, actúen de forma relajada, despreocupada o, incluso inconsciente. Además, el simulador les permite ejercitar situaciones que exijan reacciones rápidas, como objetos en la vía o averías, de este modo entrenan protocolos de actuación para normalizar en lo posible el servicio de la línea.

Problems when generating virtual models representing real objects: Hondarribia walls

[EN] This paper is based in the following project:

Physical investigations of small particles : (I) aerosol particle charging and flux enhancement and (II) whispering gallery mode sensing

Part I

Particles are a key feature of planetary atmospheres. On Earth they represent the greatest source of uncertainty in the global energy budget. This uncertainty can be addressed by making more measurement, by improving the theoretical analysis of measurements, and by better modeling basic particle nucleation and initial particle growth within an atmosphere. This work will focus on the latter two methods of improvement.

Uncertainty in measurements is largely due to particle charging. Accurate descriptions of particle charging are challenging because one deals with particles in a gas as opposed to a vacuum, so different length scales come into play. Previous studies have considered the effects of transition between the continuum and kinetic regime and the effects of two and three body interactions within the kinetic regime. These studies, however, use questionable assumptions about the charging process which resulted in skewed observations, and bias in the proposed dynamics of aerosol particles. These assumptions affect both the ions and particles in the system. Ions are assumed to be point monopoles that have a single characteristic speed rather than follow a distribution. Particles are assumed to be perfect conductors that have up to five elementary charges on them. The effects of three body interaction, ion-molecule-particle, are also overestimated. By revising this theory so that the basic physical attributes of both ions and particles and their interactions are better represented, we are able to make more accurate predictions of particle charging in both the kinetic and continuum regimes.

The same revised theory that was used above to model ion charging can also be applied to the flux of neutral vapor phase molecules to a particle or initial cluster. Using these results we can model the vapor flux to a neutral or charged particle due to diffusion and electromagnetic interactions. In many classical theories currently applied to these models, the finite size of the molecule and the electromagnetic interaction between the molecule and particle, especially for the neutral particle case, are completely ignored, or, as is often the case for a permanent dipole vapor species, strongly underestimated. Comparing our model to these classical models we determine an “enhancement factor” to characterize how important the addition of these physical parameters and processes is to the understanding of particle nucleation and growth.

Part II

Whispering gallery mode (WGM) optical biosensors are capable of extraordinarily sensitive specific and non-specific detection of species suspended in a gas or fluid. Recent experimental results suggest that these devices may attain single-molecule sensitivity to protein solutions in the form of stepwise shifts in their resonance wavelength, \lambda_{R}, but present sensor models predict much smaller steps than were reported. This study examines the physical interaction between a WGM sensor and a molecule adsorbed to its surface, exploring assumptions made in previous efforts to model WGM sensor behavior, and describing computational schemes that model the experiments for which single protein sensitivity was reported. The resulting model is used to simulate sensor performance, within constraints imposed by the limited material property data. On this basis, we conclude that nonlinear optical effects would be needed to attain the reported sensitivity, and that, in the experiments for which extreme sensitivity was reported, a bound protein experiences optical energy fluxes too high for such effects to be ignored.

Resource management of dynamic coastal environments using synoptic measures from remote sensing

In addition to providing vital ecological services, coastal areas of North Carolina provide prized areas for habitation, recreation, and commercial fisheries. However, from a management perspective, the coasts of North Carolina are highly variable and complex. In-water constituents such as nutrients, suspended sediments, and chlorophyll a concentration can vary significantly over a broad spectrum of time and space scales. Rapid growth and land-use change continue to exert pressure on coastal lands. Coastal environments are also very vulnerable to short-term (e.g., hurricanes) and long-term (e.g., sea-level rise) natural changes that can result in significant loss of life, economic loss, or changes in coastal ecosystem functioning. Hence, the dynamic nature, effects of human-induced change over time, and vulnerability of coastal areas make it difficult to effectively monitor and manage these important state and national resources using traditional data collection technologies such as discrete monitoring stations and field surveys. In general, these approaches provide only a sparse network of data over limited time and space scales and generally are expensive and labor-intensive. Products derived from spectral images obtained by remote sensing instruments provide a unique vantage point from which to examine the dynamic nature of coastal environments. A primary advantage of remote sensing is that the altitude of observation provides a large-scale synoptic view relative to traditional field measurements. Equally important, the use of remote sensing for a broad range of research and environmental applications is now common due to major advances in data availability, data transfer, and computer technologies. To facilitate the widespread use of remote sensing products in North Carolina, the UNC Coastal Studies Institute (UNC-CSI) is developing the capability to acquire, process, and analyze remotely sensed data from several remote sensing instruments. In particular, UNC-CSI is developing regional remote sensing algorithms to examine the mobilization, transport, transformation, and fate of materials between coupled terrestrial and coastal ocean systems. To illustrate this work, we present the basic principles of remote sensing of coastal waters in the context of deriving information that supports efficient and effective management of coastal resources. (PDF contains 4 pages)

[A_Ribera_SanEsteban] Modelo virtual de la iglesia de San Esteban de Ribera de Valderejo (Álava)

[ES] Ribera es un pueblo abandonado dentro del parque natural de Valderejo, el único edificio que queda en pie es la antigua iglesia. La razón por la que este edificio no fue derribado es la presencia de un conjunto de pinturas murales de época medieval. Por lo demás, el edificio (de unos 25 x 12 metros en planta) se encontraba en un mal estado de conservación (de hecho, un par de años más tarde de la realización de este trabajo se derrumbó la sacristía).