Electronic, structural, and optical properties of the host and Cr-doped cadmium thioindate

The cadmium thioindate spinel CdIn2S4 semiconductor has potential applications for optoelectronic devices. We present a theoretical study of the structural and optoelectronic properties of the host and of the Cr-doped ternary spinel. For the host spinel, we analyze the direct or indirect character of the energy bandgap, the change of the energy bandgap with the anion displacement parameter and with the site cation distribution, and the optical properties. The main effect of the Cr doping is the creation of an intermediate band within the energy bandgap. The character and the occupation of this band are analyzed for two substitutions: Cr by In and Cr by Cd. This band permits more channels for the photon absorption. The optical properties are obtained and analyzed. The absorption coefficients are decomposed into contributions from the different absorption channels and from the inter-and intra-atomic components.

Analysis of service-oriented computing systems

La computación basada en servicios (Service-Oriented Computing, SOC) se estableció como un paradigma ampliamente aceptado para el desarollo de sistemas de software flexibles, distribuidos y adaptables, donde las composiciones de los servicios realizan las tareas más complejas o de nivel más alto, frecuentemente tareas inter-organizativas usando los servicios atómicos u otras composiciones de servicios. En tales sistemas, las propriedades de la calidad de servicio (Quality of Service, QoS), como la rapídez de procesamiento, coste, disponibilidad o seguridad, son críticas para la usabilidad de los servicios o sus composiciones en cualquier aplicación concreta. El análisis de estas propriedades se puede realizarse de una forma más precisa y rica en información si se utilizan las técnicas de análisis de programas, como el análisis de complejidad o de compartición de datos, que son capables de analizar simultáneamente tanto las estructuras de control como las de datos, dependencias y operaciones en una composición. El análisis de coste computacional para la composicion de servicios puede ayudar a una monitorización predictiva así como a una adaptación proactiva a través de una inferencia automática de coste computacional, usando los limites altos y bajos como funciones del valor o del tamaño de los mensajes de entrada. Tales funciones de coste se pueden usar para adaptación en la forma de selección de los candidatos entre los servicios que minimizan el coste total de la composición, basado en los datos reales que se pasan al servicio. Las funciones de coste también pueden ser combinadas con los parámetros extraídos empíricamente desde la infraestructura, para producir las funciones de los límites de QoS sobre los datos de entrada, cuales se pueden usar para previsar, en el momento de invocación, las violaciones de los compromisos al nivel de servicios (Service Level Agreements, SLA) potenciales or inminentes. En las composiciones críticas, una previsión continua de QoS bastante eficaz y precisa se puede basar en el modelado con restricciones de QoS desde la estructura de la composition, datos empiricos en tiempo de ejecución y (cuando estén disponibles) los resultados del análisis de complejidad. Este enfoque se puede aplicar a las orquestaciones de servicios con un control centralizado del flujo, así como a las coreografías con participantes multiples, siguiendo unas interacciones complejas que modifican su estado. El análisis del compartición de datos puede servir de apoyo para acciones de adaptación, como la paralelización, fragmentación y selección de los componentes, las cuales son basadas en dependencias funcionales y en el contenido de información en los mensajes, datos internos y las actividades de la composición, cuando se usan construcciones de control complejas, como bucles, bifurcaciones y flujos anidados. Tanto las dependencias funcionales como el contenido de información (descrito a través de algunos atributos definidos por el usuario) se pueden expresar usando una representación basada en la lógica de primer orden (claúsulas de Horn), y los resultados del análisis se pueden interpretar como modelos conceptuales basados en retículos. ABSTRACT Service-Oriented Computing (SOC) is a widely accepted paradigm for development of flexible, distributed and adaptable software systems, in which service compositions perform more complex, higher-level, often cross-organizational tasks using atomic services or other service compositions. In such systems, Quality of Service (QoS) properties, such as the performance, cost, availability or security, are critical for the usability of services and their compositions in concrete applications. Analysis of these properties can become more precise and richer in information, if it employs program analysis techniques, such as the complexity and sharing analyses, which are able to simultaneously take into account both the control and the data structures, dependencies, and operations in a composition. Computation cost analysis for service composition can support predictive monitoring and proactive adaptation by automatically inferring computation cost using the upper and lower bound functions of value or size of input messages. These cost functions can be used for adaptation by selecting service candidates that minimize total cost of the composition, based on the actual data that is passed to them. The cost functions can also be combined with the empirically collected infrastructural parameters to produce QoS bounds functions of input data that can be used to predict potential or imminent Service Level Agreement (SLA) violations at the moment of invocation. In mission-critical applications, an effective and accurate continuous QoS prediction, based on continuations, can be achieved by constraint modeling of composition QoS based on its structure, known data at runtime, and (when available) the results of complexity analysis. This approach can be applied to service orchestrations with centralized flow control, and choreographies with multiple participants with complex stateful interactions. Sharing analysis can support adaptation actions, such as parallelization, fragmentation, and component selection, which are based on functional dependencies and information content of the composition messages, internal data, and activities, in presence of complex control constructs, such as loops, branches, and sub-workflows. Both the functional dependencies and the information content (described using user-defined attributes) can be expressed using a first-order logic (Horn clause) representation, and the analysis results can be interpreted as a lattice-based conceptual models.

Study of PM10 and PM2.5 levels in three European cities: Analysis of intra and inter urban variations

In the present paper, 1-year PM10 and PM 2.5 data from roadside and urban background monitoring stations in Athens (Greece), Madrid (Spain) and London (UK) are analysed in relation to other air pollutants (NO,NO2,NOx,CO,O3 and SO2)and several meteorological parameters (wind velocity, temperature, relative humidity, precipitation, solar radiation and atmospheric pressure), in order to investigate the sources and factors affecting particulate pollution in large European cities. Principal component and regression analyses are therefore used to quantify the contribution of both combustion and non-combustion sources to the PM10 and PM 2.5 levels observed. The analysis reveals that the EU legislated PM 10 and PM2.5 limit values are frequently breached, forming a potential public health hazard in the areas studied. The seasonal variability patterns of particulates varies among cities and sites, with Athens and Madrid presenting higher PM10 concentrations during the warm period and suggesting the larger relative contribution of secondary and natural particles during hot and dry days. It is estimated that the contribution of non-combustion sources varies substantially among cities, sites and seasons and ranges between 38-67% and 40-62% in London, 26-50% and 20-62% in Athens, and 31-58% and 33-68% in Madrid, for both PM10 and PM 2.5. Higher contributions from non-combustion sources are found at urban background sites in all three cities, whereas in the traffic sites the seasonal differences are smaller. In addition, the non-combustion fraction of both particle metrics is higher during the warm season at all sites. On the whole, the analysis provides evidence of the substantial impact of non-combustion sources on local air quality in all three cities. While vehicular exhaust emissions carry a large part of the risk posed on human health by particle exposure, it is most likely that mitigation measures designed for their reduction will have a major effect only at traffic sites and additional measures will be necessary for the control of background levels. However, efforts in mitigation strategies should always focus on optimal health effects.