Multiscale modeling of the plastic behaviour in single crystal tungsten: from atomistic to crystal plasticity simulations

En una planta de fusión, los materiales en contacto con el plasma así como los materiales de primera pared experimentan condiciones particularmente hostiles al estar expuestos a altos flujos de partículas, neutrones y grandes cargas térmicas. Como consecuencia de estas diferentes y complejas condiciones de trabajo, el estudio, desarrollo y diseño de estos materiales es uno de los más importantes retos que ha surgido en los últimos años para la comunidad científica en el campo de los materiales y la energía. Debido a su baja tasa de erosión, alta resistencia al sputtering, alta conductividad térmica, muy alto punto de fusión y baja retención de tritio, el tungsteno (wolframio) es un importante candidato como material de primera pared y como posible material estructural avanzado en fusión por confinamiento magnético e inercial. Sin embargo, el tiempo de vida del tungsteno viene controlado por diversos factores como son su respuesta termo-mecánica en la superficie, la posibilidad de fusión y el fallo por acumulación de helio. Es por ello que el tiempo de vida limitado por la respuesta mecánica del tungsteno (W), y en particular su fragilidad, sean dos importantes aspectos que tienes que ser investigados. El comportamiento plástico en materiales refractarios con estructura cristalina cúbica centrada en las caras (bcc) como el tungsteno está gobernado por las dislocaciones de tipo tornillo a escala atómica y por conjuntos e interacciones de dislocaciones a escalas más grandes. El modelado de este complejo comportamiento requiere la aplicación de métodos capaces de resolver de forma rigurosa cada una de las escalas. El trabajo que se presenta en esta tesis propone un modelado multiescala que es capaz de dar respuestas ingenieriles a las solicitudes técnicas del tungsteno, y que a su vez está apoyado por la rigurosa física subyacente a extensas simulaciones atomísticas. En primer lugar, las propiedades estáticas y dinámicas de las dislocaciones de tipo tornillo en cinco potenciales interatómicos de tungsteno son comparadas, determinando cuáles de ellos garantizan una mayor fidelidad física y eficiencia computacional. Las grandes tasas de deformación asociadas a las técnicas de dinámica molecular hacen que las funciones de movilidad de las dislocaciones obtenidas no puedan ser utilizadas en los siguientes pasos del modelado multiescala. En este trabajo, proponemos dos métodos alternativos para obtener las funciones de movilidad de las dislocaciones: un modelo Monte Cario cinético y expresiones analíticas. El conjunto de parámetros necesarios para formular el modelo de Monte Cario cinético y la ley de movilidad analítica son calculados atomísticamente. Estos parámetros incluyen, pero no se limitan a: la determinación de las entalpias y energías de formación de las parejas de escalones que forman las dislocaciones, la parametrización de los efectos de no Schmid característicos en materiales bcc,etc. Conociendo la ley de movilidad de las dislocaciones en función del esfuerzo aplicado y la temperatura, se introduce esta relación como ecuación de flujo dentro de un modelo de plasticidad cristalina. La predicción del modelo sobre la dependencia del límite de fluencia con la temperatura es validada experimentalmente con ensayos uniaxiales en tungsteno monocristalino. A continuación, se calcula el límite de fluencia al aplicar ensayos uniaxiales de tensión para un conjunto de orientaciones cristalográticas dentro del triángulo estándar variando la tasa de deformación y la temperatura de los ensayos. Finalmente, y con el objetivo de ser capaces de predecir una respuesta más dúctil del tungsteno para una variedad de estados de carga, se realizan ensayos biaxiales de tensión sobre algunas de las orientaciones cristalográficas ya estudiadas en función de la temperatura.-------------------------------------------------------------------------ABSTRACT ----------------------------------------------------------Tungsten and tungsten alloys are being considered as leading candidates for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for the design of magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield and low longterm disposal radioactive footprint. However, tungsten also presents a very low fracture toughness, mostly associated with inter-granular failure and bulk plasticity, that limits its applications. As a result of these various and complex conditions of work, the study, development and design of these materials is one of the most important challenges that have emerged in recent years to the scientific community in the field of materials for energy applications. The plastic behavior of body-centered cubic (bcc) refractory metals like tungsten is governed by the kink-pair mediated thermally activated motion of h¿ (\1 11)i screw dislocations on the atomistic scale and by ensembles and interactions of dislocations at larger scales. Modeling this complex behavior requires the application of methods capable of resolving rigorously each relevant scale. The work presented in this thesis proposes a multiscale model approach that gives engineering-level responses to the technical specifications required for the use of tungsten in fusion energy reactors, and it is also supported by the rigorous underlying physics of extensive atomistic simulations. First, the static and dynamic properties of screw dislocations in five interatomic potentials for tungsten are compared, determining which of these ensure greater physical fidelity and computational efficiency. The large strain rates associated with molecular dynamics techniques make the dislocation mobility functions obtained not suitable to be used in the next steps of the multiscale model. Therefore, it is necessary to employ mobility laws obtained from a different method. In this work, we suggest two alternative methods to get the dislocation mobility functions: a kinetic Monte Carlo model and analytical expressions. The set of parameters needed to formulate the kinetic Monte Carlo model and the analytical mobility law are calculated atomistically. These parameters include, but are not limited to: enthalpy and energy barriers of kink-pairs as a function of the stress, width of the kink-pairs, non-Schmid effects ( both twinning-antitwinning asymmetry and non-glide stresses), etc. The function relating dislocation velocity with applied stress and temperature is used as the main source of constitutive information into a dislocation-based crystal plasticity framework. We validate the dependence of the yield strength with the temperature predicted by the model against existing experimental data of tensile tests in singlecrystal tungsten, with excellent agreement between the simulations and the measured data. We then extend the model to a number of crystallographic orientations uniformly distributed in the standard triangle and study the effects of temperature and strain rate. Finally, we perform biaxial tensile tests and provide the yield surface as a function of the temperature for some of the crystallographic orientations explored in the uniaxial tensile tests.

Integral energy behaviour of photovoltaic semi-transparent glazing elements for building integration

La hipótesis general que esta tesis quiere demostrar es que la integración arquitectónica de sistemas fotovoltaicos semitransparentes (STPV) puede contribuir a mejorar la eficiencia energética de los edificios. Por lo tanto, la investigación se centra en el desarrollo de una metodología capaz de cuantificar la reducción de la demanda energética del edificio proporcionada por estas novedosas soluciones constructivas. Al mismo tiempo, los parámetros de diseño de las soluciones STPV se han analizado para establecer cuales presentan el mayor impacto sobre el balance energético global del edificio y por lo tanto tienen que ser cuidadosamente definidos a la hora de optimizar el comportamiento energético del mismo. A la luz de estos objetivos, la metodología de estudio se ha centrado en tres puntos principales:  Caracterizar el comportamiento energético global de sistemas STPV en condiciones de operación realistas, similares a las que se darían en un sistema real;  Caracterizar el comportamiento energético global de sistemas STPV en condiciones controladas, con el objetivo de estudiar la variación del comportamiento del los elementos en función de parámetro de diseño y operación;  Evaluar el potencial de ahorro energético global de los sistemas STPV en comparación con soluciones acristaladas convencionales al variar de las condiciones de contorno constituidas por los parámetros de diseño (como el grado de transparencia), las características arquitectónicas (como el ratio entre superficie acristalada y superficie opaca en la fachada del edificio) y las condiciones climáticas (cubriendo en particular la climatología europea). En síntesis, este trabajo intenta contribuir a comprender la interacción que existe entre los sistemas STPV y el edificio, proporcionando tanto a los fabricantes de los componentes como a los profesionales de la construcción información valiosa sobre el potencial de ahorro energético asociado a estos nuevos sistemas constructivos. Asimismo el estudio define los parámetros de diseño adecuados para lograr soluciones eficientes tanto en proyectos nuevos como de rehabilitación. ABSTRACT The general hypothesis this work seeks to demonstrate is that the architectural integration of Semi-Transparent Photovoltaic (STPV) systems can contribute to improving the energy efficiency of buildings. Accordingly, the research has focused on developing a methodology able to quantify the building energy demand reduction provided by these novel constructive solutions. At the same time, the design parameters of the STPV solution have been analysed to establish which of them have the greatest impact on the global energy balance of the building, and therefore which have to be carefully defined in order to optimize the building operation. In the light of these goals, the study methodology has focused on three main points:  To characterise the global energy behaviour of STPV systems in realistic operating conditions, similar to those in which a real system will operate;  To characterise the global energy behaviour of STPV systems in controlled conditions in order to study how the performance varies depending on the design and operating parameters;  To assess the global energy saving potential of STPV systems in comparison with conventional glazing solutions by varying the boundary conditions, including design parameters (such as the degree of transparency), architectural characteristics (such as the Window to Wall Ratio) and climatic conditions (covering the European climatic conditions). In summary, this work has sought to contribute to the understanding of the interaction between STPV systems and the building, providing both components manufacturers and construction technicians, valuable information on the energy savings potential of these new construction systems and defining the appropriate design parameters to achieve efficient solutions in both new and retrofitting projects.

Nonlinear seismic behaviour of concrete arch bridges

Arch bridge structural solution has been known for centuries, in fact the simple nature of arch that require low tension and shear strength was an advantage as the simple materials like stone and brick were the only option back in ancient centuries. By the pass of time especially after industrial revolution, the new materials were adopted in construction of arch bridges to reach longer spans. Nowadays one long span arch bridge is made of steel, concrete or combination of these two as "CFST", as the result of using these high strength materials, very long spans can be achieved. The current record for longest arch belongs to Chaotianmen bridge over Yangtze river in China with 552 meters span made of steel and the longest reinforced concrete type is Wanxian bridge which also cross the Yangtze river through a 420 meters span. Today the designer is no longer limited by span length as long as arch bridge is the most applicable solution among other approaches, i.e. cable stayed and suspended bridges are more reasonable if very long span is desired. Like any super structure, the economical and architectural aspects in construction of a bridge is extremely important, in other words, as a narrower bridge has better appearance, it also require smaller volume of material which make the design more economical. Design of such bridge, beside the high strength materials, requires precise structural analysis approaches capable of integrating the combination of material behaviour and complex geometry of structure and various types of loads which may be applied to bridge during its service life. Depend on the design strategy, analysis may only evaluates the linear elastic behaviour of structure or consider the nonlinear properties as well. Although most of structures in the past were designed to act in their elastic range, the rapid increase in computational capacity allow us to consider different sources of nonlinearities in order to achieve a more realistic evaluations where the dynamic behaviour of bridge is important especially in seismic zones where large movements may occur or structure experience P - _ effect during the earthquake. The above mentioned type of analysis is computationally expensive and very time consuming. In recent years, several methods were proposed in order to resolve this problem. Discussion of recent developments on these methods and their application on long span concrete arch bridges is the main goal of this research. Accordingly available long span concrete arch bridges have been studied to gather the critical information about their geometrical aspects and properties of their materials. Based on concluded information, several concrete arch bridges were designed for further studies. The main span of these bridges range from 100 to 400 meters. The Structural analysis methods implemented in in this study are as following: Elastic Analysis: Direct Response History Analysis (DRHA): This method solves the direct equation of motion over time history of applied acceleration or imposed load in linear elastic range. Modal Response History Analysis (MRHA): Similar to DRHA, this method is also based on time history, but the equation of motion is simplified to single degree of freedom system and calculates the response of each mode independently. Performing this analysis require less time than DRHA. Modal Response Spectrum Analysis (MRSA): As it is obvious from its name, this method calculates the peak response of structure for each mode and combine them using modal combination rules based on the introduced spectra of ground motion. This method is expected to be fastest among Elastic analysis. Inelastic Analysis: Nonlinear Response History Analysis (NL-RHA): The most accurate strategy to address significant nonlinearities in structural dynamics is undoubtedly the nonlinear response history analysis which is similar to DRHA but extended to inelastic range by updating the stiffness matrix for every iteration. This onerous task, clearly increase the computational cost especially for unsymmetrical buildings that requires to be analyzed in a full 3D model for taking the torsional effects in to consideration. Modal Pushover Analysis (MPA): The Modal Pushover Analysis is basically the MRHA but extended to inelastic stage. After all, the MRHA cannot solve the system of dynamics because the resisting force fs(u; u_ ) is unknown for inelastic stage. The solution of MPA for this obstacle is using the previously recorded fs to evaluate system of dynamics. Extended Modal Pushover Analysis (EMPA): Expanded Modal pushover is a one of very recent proposed methods which evaluates response of structure under multi-directional excitation using the modal pushover analysis strategy. In one specific mode,the original pushover neglect the contribution of the directions different than characteristic one, this is reasonable in regular symmetric building but a structure with complex shape like long span arch bridges may go through strong modal coupling. This method intend to consider modal coupling while it take same time of computation as MPA. Coupled Nonlinear Static Pushover Analysis (CNSP): The EMPA includes the contribution of non-characteristic direction to the formal MPA procedure. However the static pushovers in EMPA are performed individually for every mode, accordingly the resulted values from different modes can be combined but this is only valid in elastic phase; as soon as any element in structure starts yielding the neutral axis of that section is no longer fixed for both response during the earthquake, meaning the longitudinal deflection unavoidably affect the transverse one or vice versa. To overcome this drawback, the CNSP suggests executing pushover analysis for governing modes of each direction at the same time. This strategy is estimated to be more accurate than MPA and EMPA, moreover the calculation time is reduced because only one pushover analysis is required. Regardless of the strategy, the accuracy of structural analysis is highly dependent on modelling and numerical integration approaches used in evaluation of each method. Therefore the widely used Finite Element Method is implemented in process of all analysis performed in this research. In order to address the study, chapter 2, starts with gathered information about constructed long span arch bridges, this chapter continuous with geometrical and material definition of new models. Chapter 3 provides the detailed information about structural analysis strategies; furthermore the step by step description of procedure of all methods is available in Appendix A. The document ends with the description of results and conclusion of chapter 4.

Sights for Sounds: The Roles of Illuminated Initials in Italian Music Manuscripts

The scholarship on illuminated initials is substantial, yet there is a significant absence of information when discussing the initials found in music manuscripts specifically. In this paper, I endeavor to supplement the current scholarship by focusing my research on music manuscripts produced in Italy between 1250 and 1500 A.D. in order to provide examples of the relationships between image, music, and text in the context of use. I use mainly iconographic research methods, though a considerable amount of background information is reliant on the research of other authors in the field of medieval philosophy and theology. Through my research I have concluded that the use of illuminated initials in medieval Italian music manuscripts enhances the function of the manuscript by providing another layer of understanding which audience members could use to aid them in their meditation, prayer, and in the performance of the music.

Classical Guitar Music in Printed Collections: A New Index and a Model for Indexing Instrumental Music in Score Collections

Classical Guitar Music in Printed Collections is a new, open-access, online index to the contents of published score collections for classical guitar. Its interlinked, alphabetized lists allow one to find a composition by title or composer, to discover what score collections include that piece, to see what other works are included in each collection identified, and to locate a copy in a library collection. Accuracy of identification is guaranteed by incipit images of each work. The article discusses how this index differs from existing bibliographies of the classical guitar literature, its structure and design, and technical details of its publication.

An approach for characterising the weathering behaviour of Flysch slopes applied to the carbonatic Flysch of Alicante (Spain)

Various studies indicate that most of the slope instabilities affecting Flysch heterogeneous rock masses are related to differential weathering of the lithologies that make up the slope. Therefore, the weathering characteristics of the intact rock are of great importance for the study of these types of slopes and their associated instability processes. The main aim of this study is to characterise the weathering properties of the different lithologies outcropping in the carbonatic Flysch of Alicante (Spain), in order to understand the effects of environmental weathering on them, following slope excavation. To this end, 151 strata samples obtained from 11 different slopes, 5–40 years old, were studied. The lithologies were identified and their mechanical characteristics obtained using field and laboratory tests. Additionally, the slaking properties of intact rocks were determined, and a classification system proposed based on the first and fifth slake cycles (Id1 and Id5 respectively) and an Index of Weathering (IW5), defined in the study. Information obtained from the laboratory and the field was used to characterise the weathering behaviour of the rocks. Furthermore, the slaking properties determined from laboratory tests were related to the in-situ weathering properties of rocks (i.e., the weathering profile, patterns and length, and weathering rate). The proposed relationship between laboratory test results, field data, and in-situ observations provides a useful tool for predicting the response of slopes to weathering after excavation during the preliminary stages of design.

Leslie R. Bassett School of Music, 1966 Pulitzer Prize Winner

In U of M electronic music studio

School of Music : North Campus

On verso: University of Michigan News Service; 3564 Administration Building; Ann Arbor, Michigan

Oberlin College Conservatory of Music Library Addition, Oberlin, Ohio, 1986-1988

[Conceptual Sketches], untitled. Ink sketches on graph paper, 8 1/2 x 11 inches [from photographic copy by Lance Burgharrdt]

Oberlin College Conservatory of Music Library Addition, Oberlin, Ohio, 1986-1988

[Conceptual Sketches], untitled. Ink sketches on tracing paper with green marker coloring, 8 1/2 x 11 inches [from photographic copy by Lance Burgharrdt]

Oberlin College Conservatory of Music Library Addition, Oberlin, Ohio, 1986-1988

[Conceptual Sketch], untitled. Ink sketch on tracing paper, 12x22 inches [from photographic copy by Lance Burgharrdt]

Proposed school of Music, 1935?

Photographic print of architectural drawing. Albert Kahn Inc. Architects (Detroit, Mich.)