Social Work Students’ Use of Knowledge in Direct Practice – Reasons, Strategies and Effects

This article describes a study of Swedish social work students’ use of knowledge during their field practice. Data was collected by using short written narratives, where the students reflect on situations from practice, situations they experienced as critical or problematic. The narratives were analysed with a method inspired by the interpretation theory of Paul Ricoeur. The article starts with a discussion adhering to the present trend of evidence-based social work practice. This is followed by a study of 144 narratives from social work students containing critical or problematic events. A quantitative description of the material as well as qualitative model of two type-strategies, that social work students use, is presented. The results show, among other things, that students use several forms of knowledge, where facts/evidence is one of several. The study also shows that there is a strong adaptation to varying critical situations. A conclusion is that it is difficult to a priori define the types and proportions of knowledge to use in social work practice.

Using the theory of planned behaviour to model antecedents of surgical checklist use: a cross-sectional study.

BACKGROUND Compliance with surgical checklist use remains an obstacle in the context of checklist implementation programs. The theory of planned behaviour was applied to analyse attitudes, perceived behaviour control, and norms as psychological antecedents of individuals' intentions to use the checklist. METHODS A cross-sectional survey study with staff (N = 866) of 10 Swiss hospitals was conducted in German and French. Group mean differences between individuals with and without managerial function were computed. Structural equation modelling and confirmatory factor analysis was applied to investigate the structural relation between attitudes, perceived behaviour control, norms, and intentions. RESULTS Significant mean differences in favour of individuals with managerial function emerged for norms, perceived behavioural control, and intentions, but not for attitudes. Attitudes and perceived behavioural control had a significant direct effect on intentions whereas norms had not. CONCLUSIONS Individuals with managerial function exhibit stronger perceived behavioural control, stronger norms, and stronger intentions. This could be applied in facilitating checklist implementation. The structural model of the theory of planned behaviour remains stable across groups, indicating a valid model to describe antecedents of intentions in the context of surgical checklist implementation.

Resistance to Temptation: The Interaction of External and Internal Control on Alcohol Use During Residential Treatment for Alcohol Use Disorder

Background: There is evidence that drinking during residential treatment is related to various factors, such as patients’ general control beliefs and self-efficacy, as well as to external control of alcohol use by program’s staff and situations where there is temptation to drink. As alcohol use during treatment has been shown to be associated with the resumption of alcohol use after discharge from residential treatment, we aimed to investigate how these variables are related to alcohol use during abstinenceoriented residential treatment programs for alcohol use disorders (AUD). Methods: In total, 509 patients who entered 1 of 2 residential abstinence-oriented treatment programs for AUD were included in the study. After detoxification, patients completed a standardized diagnostic procedure including interviews and questionnaires. Drinking was assessed by patients’ selfreport of at least 1 standard drink or by positive breathalyzer testing. The 2 residential programs were categorized as high or low control according to the average number of tests per patient. Results: Regression analysis revealed a significant interaction effect between internal and external control suggesting that patients with high internal locus of control and high frequency of control by staff demonstrated the least alcohol use during treatment (16.7%) while patients with low internal locus of control in programs with low external control were more likely to use alcohol during Treatment (45.9%). No effects were found for self-efficacy and temptation. Conclusions: As alcohol use during treatment is most likely associated with poor treatment outcomes, external control may improve treatment outcomes and particularly support patients with low internal locus of control, who show the highest risk for alcohol use during treatment. High external control may complement high internal control to improve alcohol use prevention while in treatment. Key Words: Alcohol Dependence, Alcohol Use, Locus of Control, Alcohol Testing.

Encouragement to Increase the Use of Psychosocial Skills in the Diagnosis and Therapy of Patients With Functional Dysphonia.

Clinicians believe that psychosocial factors play a causal role in the etiology of many forms of functional dysphonia (FD). But for decades, all attempts to confirm such causation have failed. This paper aims to show the logic of this failure, to discuss the possibilities of employing psychology in therapy nonetheless, and to encourage clinicians to use their psychosocial knowledge and skills. The failure to confirm psychic and social factors as causal in the etiology of FD is basically a consequence of a principal shortcoming of evidence-based medicine (EBM). As the gold standard for validity, reliability, and objectivity in medical research, EBM is based on calculability and hence the processing of quantitative data. But life paths and life situations are best or sometimes only expressible in qualitative, experiential, and idiographic terms. Thus EBM-guided evaluation undervalues most psychosocial studies. This report of an experienced multidisciplinary voice team proposes alternative pathways for integrating psychosocial knowledge into the diagnosis and the treatment of FD. The difference between the fields of activity of psychotherapists and speech-language pathologists is discussed, and the latter group is shown the potential benefits of using more of their psychosocial knowledge and skills.

Radiographic volume analysis as a novel tool to determine nasopalatine duct cyst dimensions and its association with presenting symptoms and postoperative complications

OBJECTIVES The aims of the study were to use cone beam computed tomography (CBCT) images of nasopalatine duct cysts (NPDC) and to calculate the diameter, surface area, and 3D-volume using a custom-made software program. Furthermore, any associations of dimensions of NPDC with age, gender, presence/absence of maxillary incisors/canines (MI/MC), endodontic treatment of MI/MC, presenting symptoms, and postoperative complications were evaluated. MATERIAL AND METHODS The study comprised 40 patients with a histopathologically confirmed NPDC. On preoperative CBCT scans, curves delineating the cystic borders were drawn in all planes and the widest diameter (in millimeter), surface area (in square millimeter), and volume (in cubic millimeter) were calculated. RESULTS The overall mean cyst diameter was 15 mm (range 7-47 mm), the mean cyst surface area 566 mm(2) (84-4,516 mm(2)), and the mean cyst volume 1,735 mm(3) (65-25,350 mm(3)). For 22 randomly allocated cases, a second measurement resulted in a mean absolute aberration of ±4.2 % for the volume, ±2.8 % for the surface, and ±4.9 % for the diameter. A statistically significant association was found for the CBCT determined cyst measurements and the need for preoperative endodontic treatment to MI/MC and for postoperative complications. CONCLUSION In the hands of a single experienced operator, the novel software exhibited high repeatability for measurements of cyst dimensions. Further studies are needed to assess the application of this tool for dimensional analysis of different jaw cysts and lesions including treatment planning. CLINICAL RELEVANCE Accurate radiographic information of the bone volume lost (osteolysis) due to expansion of a cystic lesion in three dimensions could help in personalized treatment planning.

A project to improve the information seeking skills and increase the use of evidence-based research in public health practice

The ability of public health practitioners (PHPs) to work efficiently and effectively is negatively impacted by their lack of knowledge of the broad range of evidence-based practice information resources and tools that can be utilized to guide them in their development of health policies and programs. This project, a three-hour continuing education hands-on workshop with supporting resources, was designed to increase knowledge and skills of these resources. The workshop was presented as a pre-conference continuing education program for the Texas Public Health Association (TPHA) 2008 Annual Conference. Topics included: identification of evidence-based practice resources to aid in the development of policies and programs; identification of sources of publicly available data; utilization of data for community assessments; and accessing and searching the literature through a collection of databases available to all citizens of Texas. Supplemental resources included a blog that served as a gateway to the resources explored during the presentation, a community assessment workbook that incorporates both Healthy People 2010 objectives and links to reliable sources of data, and handouts providing additional instruction on the use of the resources covered during the workshop.^ Before- and after-workshop surveys based on Kirkpatrick's 4-level model of evaluation and the Theory of Planned Behavior were administered. Of the questions related to the trainer, the workshop, and the usefulness of the workshop, participants gave "Good" to "Excellent" responses to all one question. Confidence levels overall increased a statistically significant amount; measurements of attitude, social norms, and control showed no significant differences before and after the workshop. Lastly, participants indicated they were likely to use resources shown during the workshop within a one to three month time period on average. ^ The workshop and creation of supplemental resources served as a pilot for a funded project that will be continued with the development and delivery of four 4-week long webinar-based training sessions to be completed by December 2008. ^

The use of social media to communicate child health information to low-income parents: A formative study

The Internet, and specifically web 2.0 social media applications, offers an innovative method for communicating child health information to low-income parents. The main objective of this study was to use qualitative data to determine the value of using social media to reach low-income parents with child health information. A qualitative formative evaluation employing focus groups was used to determine the value of using social media for dissemination of child health information. Inclusion criteria included: (1) a parent with a child that attends a school in a designated Central Texas school district; and (2) English-speaking. The students who attend these schools are generally economically disadvantaged and are predominately Hispanic. The classic analysis strategy was used for data analysis. Focus group participants (n=19) were female (95%); White (53%), Hispanic (42%) or African American (5%); and received government assistance (63%). Most had access to the Internet (74%) and were likely to have low health literacy (53%). The most preferred source of child health information was the family pediatrician or general practitioner. Many participants were familiar with social media applications and had profiles on popular social networking sites, but used them infrequently. Objections to social media sites as sources of child health information included lack of credibility and parent time. Social media has excellent potential for reaching low-income parents when used as part of a multi-channel communication campaign. Further research should focus on the most effective type and format of messages that can promote behavior change in this population, such as story-telling. ^

El cambio en la designación general de material (DGM) de las AACR a las RDA : Definición de los atributos tipo de contenido, tipo de medio y tipo de soporte

Se aborda el estudio de los atributos tipo de contenido, tipo de medio y tipo de soporte definidos por el código de catalogación Resource Description and Access (RDA) para solucionar los problemas que presentaba la lista de términos utilizadas para registrar la designación general de material (DGM) en las Anglo American Cataloging Rules (AACR). Los términos eran ambiguos combinando aspectos referidos al contenido y clase de material del recurso. Se parte de una exhaustiva revisión bibliográfica y del estudio de los documentos que se generaron en el proceso de elaboración del nuevo código. Se menciona el trabajo conjunto entre el Joint Steering Committee (JSC) y el estándar ONIX para el establecimiento de criterios que permitieron definir estos tres atributos, así como el aporte del modelo FRBR en la definición de los mismos. Se presentan ejemplos de registros bibliográficos donde se utilizan estos tres atributos en formato MARC21, ISBD consolidada a partir de la definición del área 0 y en el esquema de metadatos Dublin Core. Se finaliza destacando la necesidad de continuar con investigaciones que permitan concluir sobre la adecuación de estos tres atributos a las necesidades de los catalogadores, usuarios y a la realidad tecnológica

El cambio en la designación general de material (DGM) de las AACR a las RDA : Definición de los atributos tipo de contenido, tipo de medio y tipo de soporte

Se aborda el estudio de los atributos tipo de contenido, tipo de medio y tipo de soporte definidos por el código de catalogación Resource Description and Access (RDA) para solucionar los problemas que presentaba la lista de términos utilizadas para registrar la designación general de material (DGM) en las Anglo American Cataloging Rules (AACR). Los términos eran ambiguos combinando aspectos referidos al contenido y clase de material del recurso. Se parte de una exhaustiva revisión bibliográfica y del estudio de los documentos que se generaron en el proceso de elaboración del nuevo código. Se menciona el trabajo conjunto entre el Joint Steering Committee (JSC) y el estándar ONIX para el establecimiento de criterios que permitieron definir estos tres atributos, así como el aporte del modelo FRBR en la definición de los mismos. Se presentan ejemplos de registros bibliográficos donde se utilizan estos tres atributos en formato MARC21, ISBD consolidada a partir de la definición del área 0 y en el esquema de metadatos Dublin Core. Se finaliza destacando la necesidad de continuar con investigaciones que permitan concluir sobre la adecuación de estos tres atributos a las necesidades de los catalogadores, usuarios y a la realidad tecnológica

El cambio en la designación general de material (DGM) de las AACR a las RDA : Definición de los atributos tipo de contenido, tipo de medio y tipo de soporte

Se aborda el estudio de los atributos tipo de contenido, tipo de medio y tipo de soporte definidos por el código de catalogación Resource Description and Access (RDA) para solucionar los problemas que presentaba la lista de términos utilizadas para registrar la designación general de material (DGM) en las Anglo American Cataloging Rules (AACR). Los términos eran ambiguos combinando aspectos referidos al contenido y clase de material del recurso. Se parte de una exhaustiva revisión bibliográfica y del estudio de los documentos que se generaron en el proceso de elaboración del nuevo código. Se menciona el trabajo conjunto entre el Joint Steering Committee (JSC) y el estándar ONIX para el establecimiento de criterios que permitieron definir estos tres atributos, así como el aporte del modelo FRBR en la definición de los mismos. Se presentan ejemplos de registros bibliográficos donde se utilizan estos tres atributos en formato MARC21, ISBD consolidada a partir de la definición del área 0 y en el esquema de metadatos Dublin Core. Se finaliza destacando la necesidad de continuar con investigaciones que permitan concluir sobre la adecuación de estos tres atributos a las necesidades de los catalogadores, usuarios y a la realidad tecnológica

Mejora del comportamiento térmico de los morteros de cal aditivados y su empleo en la rehabilitación de inmuebles = Improvement of thermal behaviour of additived lime mortars and their use in rehabilitation of buildings

La envolvente de la edificación es la responsable de equilibrar el intercambio energético entre el interior y el exterior, por lo tanto cualquier actuación encaminada a la reducción del consumo energético ha de establecer, como uno de sus objetivos prioritarios, la mejora del comportamiento de la misma. Las edificaciones anteriores a 1940 constituyen la mayor parte de las existentes en áreas rurales y centros urbanos. En ellas, la repercusión de la fachada sobre las transmitancias globales pone de manifiesto la necesidad de intervención. Sin embargo, su elevada inercia térmica y los importantes saltos térmicos característicos de gran parte de España plantean la importancia de que aquélla se efectúe por el exterior. A tal respecto, la falta de disponibilidad de espesor suficiente para implantar sistemas tipo SATE deriva en que, frecuentemente, la única solución viable sea la de aislar por el interior perdiendo con ello la capacidad de acumulación térmica del muro y con el asociado riesgo de condensaciones. La amplia tradición en el empleo de revestimientos, especialmente en base de cal, permiten que éstos sean utilizados no sólo como elemento estético o de protección de la obra de fábrica antigua sino también para la mejora del comportamiento térmico del soporte, si se aprovecha el mecanismo de transmisión térmica por radiación. Éste es el objetivo de la presente Tesis Doctoral en la que se estudia la modificación de las propiedades radiantes de los morteros de revestimiento para la mejora de la eficiencia energética de las construcciones históricas, principalmente las constituidas por muros monolíticos, aunque podría ser de aplicación a otro tipo de construcciones compuestas por diversas capas. Como punto de partida, se estudió y revisó la documentación disponible sobre las investigaciones de las tres áreas científico-tecnológicas que convergen en la Tesis Doctoral: rehabilitación, material y comportamiento térmico, a partir de lo cual se comprobó la inexistencia de estudios similares al objeto de la presente Tesis Doctoral. Complementariamente, se analizaron los revestimientos en lo concerniente a los materiales que los constituyen, la composición de las mezclas y características de cada una de las capas así como al enfoque que, desde el punto de vista térmico, se estimaba más adecuado para la obtención de los objetivos propuestos. Basándonos en dichos análisis, se preseleccionaron ochenta materiales que fueron ensayados en términos de reflectancia y emisividad para elegir cuatro con los que se continuó la investigación. Éstos, junto con la cal elegida para la investigación y el árido marmóreo característico de la última capa de revestimiento, fueron caracterizados térmicamente, de forma pormenorizada, así como química y físicamente. Los fundamentos teóricos y los estudios preliminares desarrollados con distintos materiales, en estado fresco y endurecido, fueron empleados en la dosificación de componentes de las mezclas, en dos proporciones distintas, para el estudio del efecto del agregado. Éstas se ensayaron en estado fresco, para comprobar su adecuación de puesta en obra y prever su VI adherencia al soporte, así como en estado endurecido a 28 y 90 días de curado, para conocer las propiedades que permitieran prever su compatibilidad con aquél y estimar el alcance de la reducción de transferencias térmicas lograda. Además, se estudiaron las características generales de las mezclas que sirvieron para establecer correlaciones entre distintas propiedades y entender los resultados mecánicos, físicos (comportamiento frente al agua) y energéticos. Del estudio conjunto de las distintas propiedades analizadas se propusieron dos mezclas, una blanca y otra coloreada, cuyas características permiten garantizar la compatibilidad con la obra de fábrica antigua, desde el punto de vista físico y mecánico, y preservar la autenticidad de los revestimientos, en cuanto a la técnica de aplicación tradicional en sistemas multicapa. El comportamiento térmico de las mismas, sobre una obra de fábrica de 40 cm de espesor, se estimó, en estado estacionario y pseudo-transitorio, demostrándose reducciones del flujo térmico entre 16-48%, en condiciones de verano, y entre el 6-11%, en invierno, en función de la coloración y de la rugosidad de la superficie, en comparación con el empleo de la mezcla tradicional. Por lo que, se constata la viabilidad de los materiales compuestos propuestos y su adecuación al objetivo de la investigación. VII ABSTRACT The envelope is responsible for balancing the energy exchange between the inside and outside in buildings. For this reason, any action aimed at reducing energy consumption must establish, as one of its key priorities, its improvement. In rural areas and urban centers, most of the constructions were built before 1940. In them, the impact of the façade on the global transmittance highlights the need for intervention. However, its high thermal inertia and fluctuation of temperatures in the majority of Spain bring up that it should be placed outside the insulation. In this regard, the lack of availability of enough thickness to implement systems such as ETICS results in that often the only viable solution is to isolate the interior, losing thereby the wall’s heat storage capacity with the associated risk of condensation. The tradition in the use of renders, especially lime-based, allows us to use them not only as an aesthetic element or to protect the ancient masonry, but also for improved thermal performance of the support by taking advantage of the heat transfer mechanism by radiation. This is the aim of this Doctoral Thesis in which the modification of the radiative properties of lime mortars for renders to improve the energy efficiency of historic buildings, mainly composed of monolithic walls, is studied, although it could be applied to other structures composed of several layers. As a starting point, the available literature in the three scientific-technological areas that converge at the Doctoral Thesis: rehabilitation, material and thermal behaviour, was reviewed, and confirmed the absence of researches similar to this Doctoral Thesis. Additionally, the renders were studied with regard to the materials that constitute them, the composition of the mixtures and the characteristics of each layer, as well as to the approach which, from a thermal point of view, was deemed the most suitable for achieving the objectives sets. Based on thre aforementioned analysis, eighty materials tested in terms of reflectance and emissivity were pre-selected, to choose four with which the research was continued. Common marble sand, used in the last layer of the renders, together with the appointed materials and hydrated lime were characterized thermally, in detail, as well as chemically and physically. The theoretical bases and preliminary studies with different materials, in fresh and hardened state, were used in the dosage of the composition of the mixtures. In order to study their effect they were used in two different proportions, that is, ten mixtures in total. These were tested in their fresh state to evaluate their setting-up suitability and foresee their adhesion to the support, as well as in their hardened state, at 28 and 90 days of curing, to establish the properties which enabled us to anticipate their compatibility with the old masonry walls and estimate the scope of the reduction of heat transfers achieved. In addition, the general characteristics of the mixtures used to establish correlations and to understand the mechanical, physical and energy results were studied. Two mixtures, one white and one colored, were proposed as the result of the different properties analysed, whose characteristics allow the guarantee of mechanical and physical compatibility VIII with the old masonry and preserve the authenticity of the renders. The thermal behavior of both, applied on a masonry wall 40 cm thick, was estimated at a steady and pseudo-transient state, with heat flow reductions between 16-48% during summertime and 6-11% during wintertime, depending on the color and surface roughness, compared to the use of the traditional mixture. So, the viability of the proposed composite materials and their fitness to the aim of the research are established.

A robust numerical framework for the analysis of material failure of fibre reinforced soft tissue

In this work, robustness and stability of continuum damage models applied to material failure in soft tissues are addressed. In the implicit damage models equipped with softening, the presence of negative eigenvalues in the tangent elemental matrix degrades the condition number of the global matrix, leading to a reduction of the computational performance of the numerical model. Two strategies have been adapted from literature to improve the aforementioned computational performance degradation: the IMPL-EX integration scheme [Oliver,2006], which renders the elemental matrix contribution definite positive, and arclength-type continuation methods [Carrera,1994], which allow to capture the unstable softening branch in brittle ruptures. The IMPL-EX integration scheme has as a major drawback the need to use small time steps to keep numerical error below an acceptable value. A convergence study, limiting the maximum allowed increment of internal variables in the damage model, is presented. Finally, numerical simulation of failure problems with fibre reinforced materials illustrates the performance of the adopted methodology.

LiDAR simulation in modelled orchards to optimise the use of terretrial laser scanners and derived vegetative measures

Light detection and ranging (LiDAR) technology is beginning to have an impact on agriculture. Canopy volume and/or fruit tree leaf area can be estimated using terrestrial laser sensors based on this technology. However, the use of these devices may have different options depending on the resolution and scanning mode. As a consequence, data accuracy and LiDAR derived parameters are affected by sensor configuration, and may vary according to vegetative characteristics of tree crops. Given this scenario, users and suppliers of these devices need to know how to use the sensor in each case. This paper presents a computer program to determine the best configuration, allowing simulation and evaluation of different LiDAR configurations in various tree structures (or training systems). The ultimate goal is to optimise the use of laser scanners in field operations. The software presented generates a virtual orchard, and then allows the scanning simulation with a laser sensor. Trees are created using a hidden Markov tree (HMT) model. Varying the foliar structure of the orchard the LiDAR simulation was applied to twenty different artificially created orchards with or without leaves from two positions (lateral and zenith). To validate the laser sensor configuration, leaf surface of simulated trees was compared with the parameters obtained by LiDAR measurements: the impacted leaf area, the impacted total area (leaves and wood), and th impacted area in the three outer layers of leaves.

Monte Carlo Neutronics and Thermal-hydraulics coupling applied to Fast Reactors

Un escenario habitualmente considerado para el uso sostenible y prolongado de la energía nuclear contempla un parque de reactores rápidos refrigerados por metales líquidos (LMFR) dedicados al reciclado de Pu y la transmutación de actínidos minoritarios (MA). Otra opción es combinar dichos reactores con algunos sistemas subcríticos asistidos por acelerador (ADS), exclusivamente destinados a la eliminación de MA. El diseño y licenciamiento de estos reactores innovadores requiere herramientas computacionales prácticas y precisas, que incorporen el conocimiento obtenido en la investigación experimental de nuevas configuraciones de reactores, materiales y sistemas. A pesar de que se han construido y operado un cierto número de reactores rápidos a nivel mundial, la experiencia operacional es todavía reducida y no todos los transitorios se han podido entender completamente. Por tanto, los análisis de seguridad de nuevos LMFR están basados fundamentalmente en métodos deterministas, al contrario que las aproximaciones modernas para reactores de agua ligera (LWR), que se benefician también de los métodos probabilistas. La aproximación más usada en los estudios de seguridad de LMFR es utilizar una variedad de códigos, desarrollados a base de distintas teorías, en busca de soluciones integrales para los transitorios e incluyendo incertidumbres. En este marco, los nuevos códigos para cálculos de mejor estimación ("best estimate") que no incluyen aproximaciones conservadoras, son de una importancia primordial para analizar estacionarios y transitorios en reactores rápidos. Esta tesis se centra en el desarrollo de un código acoplado para realizar análisis realistas en reactores rápidos críticos aplicando el método de Monte Carlo. Hoy en día, dado el mayor potencial de recursos computacionales, los códigos de transporte neutrónico por Monte Carlo se pueden usar de manera práctica para realizar cálculos detallados de núcleos completos, incluso de elevada heterogeneidad material. Además, los códigos de Monte Carlo se toman normalmente como referencia para los códigos deterministas de difusión en multigrupos en aplicaciones con reactores rápidos, porque usan secciones eficaces punto a punto, un modelo geométrico exacto y tienen en cuenta intrínsecamente la dependencia angular de flujo. En esta tesis se presenta una metodología de acoplamiento entre el conocido código MCNP, que calcula la generación de potencia en el reactor, y el código de termohidráulica de subcanal COBRA-IV, que obtiene las distribuciones de temperatura y densidad en el sistema. COBRA-IV es un código apropiado para aplicaciones en reactores rápidos ya que ha sido validado con resultados experimentales en haces de barras con sodio, incluyendo las correlaciones más apropiadas para metales líquidos. En una primera fase de la tesis, ambos códigos se han acoplado en estado estacionario utilizando un método iterativo con intercambio de archivos externos. El principal problema en el acoplamiento neutrónico y termohidráulico en estacionario con códigos de Monte Carlo es la manipulación de las secciones eficaces para tener en cuenta el ensanchamiento Doppler cuando la temperatura del combustible aumenta. Entre todas las opciones disponibles, en esta tesis se ha escogido la aproximación de pseudo materiales, y se ha comprobado que proporciona resultados aceptables en su aplicación con reactores rápidos. Por otro lado, los cambios geométricos originados por grandes gradientes de temperatura en el núcleo de reactores rápidos resultan importantes para la neutrónica como consecuencia del elevado recorrido libre medio del neutrón en estos sistemas. Por tanto, se ha desarrollado un módulo adicional que simula la geometría del reactor en caliente y permite estimar la reactividad debido a la expansión del núcleo en un transitorio. éste módulo calcula automáticamente la longitud del combustible, el radio de la vaina, la separación de los elementos de combustible y el radio de la placa soporte en función de la temperatura. éste efecto es muy relevante en transitorios sin inserción de bancos de parada. También relacionado con los cambios geométricos, se ha implementado una herramienta que, automatiza el movimiento de las barras de control en busca d la criticidad del reactor, o bien calcula el valor de inserción axial las barras de control. Una segunda fase en la plataforma de cálculo que se ha desarrollado es la simulació dinámica. Puesto que MCNP sólo realiza cálculos estacionarios para sistemas críticos o supercríticos, la solución más directa que se propone sin modificar el código fuente de MCNP es usar la aproximación de factorización de flujo, que resuelve por separado la forma del flujo y la amplitud. En este caso se han estudiado en profundidad dos aproximaciones: adiabática y quasiestática. El método adiabático usa un esquema de acoplamiento que alterna en el tiempo los cálculos neutrónicos y termohidráulicos. MCNP calcula el modo fundamental de la distribución de neutrones y la reactividad al final de cada paso de tiempo, y COBRA-IV calcula las propiedades térmicas en el punto intermedio de los pasos de tiempo. La evolución de la amplitud de flujo se calcula resolviendo las ecuaciones de cinética puntual. Este método calcula la reactividad estática en cada paso de tiempo que, en general, difiere de la reactividad dinámica que se obtendría con la distribución de flujo exacta y dependiente de tiempo. No obstante, para entornos no excesivamente alejados de la criticidad ambas reactividades son similares y el método conduce a resultados prácticos aceptables. Siguiendo esta línea, se ha desarrollado después un método mejorado para intentar tener en cuenta el efecto de la fuente de neutrones retardados en la evolución de la forma del flujo durante el transitorio. El esquema consiste en realizar un cálculo cuasiestacionario por cada paso de tiempo con MCNP. La simulación cuasiestacionaria se basa EN la aproximación de fuente constante de neutrones retardados, y consiste en dar un determinado peso o importancia a cada ciclo computacial del cálculo de criticidad con MCNP para la estimación del flujo final. Ambos métodos se han verificado tomando como referencia los resultados del código de difusión COBAYA3 frente a un ejercicio común y suficientemente significativo. Finalmente, con objeto de demostrar la posibilidad de uso práctico del código, se ha simulado un transitorio en el concepto de reactor crítico en fase de diseño MYRRHA/FASTEF, de 100 MW de potencia térmica y refrigerado por plomo-bismuto. ABSTRACT Long term sustainable nuclear energy scenarios envisage a fleet of Liquid Metal Fast Reactors (LMFR) for the Pu recycling and minor actinides (MAs) transmutation or combined with some accelerator driven systems (ADS) just for MAs elimination. Design and licensing of these innovative reactor concepts require accurate computational tools, implementing the knowledge obtained in experimental research for new reactor configurations, materials and associated systems. Although a number of fast reactor systems have already been built, the operational experience is still reduced, especially for lead reactors, and not all the transients are fully understood. The safety analysis approach for LMFR is therefore based only on deterministic methods, different from modern approach for Light Water Reactors (LWR) which also benefit from probabilistic methods. Usually, the approach adopted in LMFR safety assessments is to employ a variety of codes, somewhat different for the each other, to analyze transients looking for a comprehensive solution and including uncertainties. In this frame, new best estimate simulation codes are of prime importance in order to analyze fast reactors steady state and transients. This thesis is focused on the development of a coupled code system for best estimate analysis in fast critical reactor. Currently due to the increase in the computational resources, Monte Carlo methods for neutrons transport can be used for detailed full core calculations. Furthermore, Monte Carlo codes are usually taken as reference for deterministic diffusion multigroups codes in fast reactors applications because they employ point-wise cross sections in an exact geometry model and intrinsically account for directional dependence of the ux. The coupling methodology presented here uses MCNP to calculate the power deposition within the reactor. The subchannel code COBRA-IV calculates the temperature and density distribution within the reactor. COBRA-IV is suitable for fast reactors applications because it has been validated against experimental results in sodium rod bundles. The proper correlations for liquid metal applications have been added to the thermal-hydraulics program. Both codes are coupled at steady state using an iterative method and external files exchange. The main issue in the Monte Carlo/thermal-hydraulics steady state coupling is the cross section handling to take into account Doppler broadening when temperature rises. Among every available options, the pseudo materials approach has been chosen in this thesis. This approach obtains reasonable results in fast reactor applications. Furthermore, geometrical changes caused by large temperature gradients in the core, are of major importance in fast reactor due to the large neutron mean free path. An additional module has therefore been included in order to simulate the reactor geometry in hot state or to estimate the reactivity due to core expansion in a transient. The module automatically calculates the fuel length, cladding radius, fuel assembly pitch and diagrid radius with the temperature. This effect will be crucial in some unprotected transients. Also related to geometrical changes, an automatic control rod movement feature has been implemented in order to achieve a just critical reactor or to calculate control rod worth. A step forward in the coupling platform is the dynamic simulation. Since MCNP performs only steady state calculations for critical systems, the more straight forward option without modifying MCNP source code, is to use the flux factorization approach solving separately the flux shape and amplitude. In this thesis two options have been studied to tackle time dependent neutronic simulations using a Monte Carlo code: adiabatic and quasistatic methods. The adiabatic methods uses a staggered time coupling scheme for the time advance of neutronics and the thermal-hydraulics calculations. MCNP computes the fundamental mode of the neutron flux distribution and the reactivity at the end of each time step and COBRA-IV the thermal properties at half of the the time steps. To calculate the flux amplitude evolution a solver of the point kinetics equations is used. This method calculates the static reactivity in each time step that in general is different from the dynamic reactivity calculated with the exact flux distribution. Nevertheless, for close to critical situations, both reactivities are similar and the method leads to acceptable practical results. In this line, an improved method as an attempt to take into account the effect of delayed neutron source in the transient flux shape evolutions is developed. The scheme performs a quasistationary calculation per time step with MCNP. This quasistationary simulations is based con the constant delayed source approach, taking into account the importance of each criticality cycle in the final flux estimation. Both adiabatic and quasistatic methods have been verified against the diffusion code COBAYA3, using a theoretical kinetic exercise. Finally, a transient in a critical 100 MWth lead-bismuth-eutectic reactor concept is analyzed using the adiabatic method as an application example in a real system.

V-substituted In2S3: an intermediate band material with photocatalytic activity in the whole visible light range

We proposed in our previous work V-substituted In2S3 as an intermediate band (IB) material able to enhance the efficiency of photovoltaic cells by combining two photons to achieve a higher energy electron excitation, much like natural photosynthesis. Here this hyper-doped material is tested in a photocatalytic reaction using wavelength-controlled light. The results evidence its ability to use photons with wavelengths of up to 750 nm, i.e. with energy significantly lower than the bandgap (=2.0 eV) of non-substituted In2S3, driving with them the photocatalytic reaction at rates comparable to those of non-substituted In2S3 in its photoactivity range (λ ≤ 650 nm). Photoluminescence spectra evidence that the same bandgap excitation as in V-free In2S3 occurs in V-substituted In2S3 upon illumination with photons in the same sub-bandgap energy range which is effective in photocatalysis, and its linear dependence on light intensity proves that this is not due to a nonlinear optical property. This evidences for the first time that a two-photon process can be active in photocatalysis in a single-phase material. Quantum calculations using GW-type many-body perturbation theory suggest that the new band introduced in the In2S3 gap by V insertion is located closer to the conduction band than to the valence band, so that hot carriers produced by the two-photon process would be of electron type; they also show that the absorption coefficients of both transitions involving the IB are of significant and similar magnitude. The results imply that V-substituted In2S3, besides being photocatalytically active in the whole visible light range (a property which could be used for the production of solar fuels), could make possible photovoltaic cells of improved efficiency.