Techniques to accelerate convergence of stress-controlled molecular dynamics simulations of dislocation motion

Dislocation mobility —the relation between applied stress and dislocation velocity—is an important property to model the mechanical behavior of structural materials. These mobilities reflect the interaction between the dislocation core and the host lattice and, thus, atomistic resolution is required to capture its details. Because the mobility function is multiparametric, its computation is often highly demanding in terms of computational requirements. Optimizing how tractions are applied can be greatly advantageous in accelerating convergence and reducing the overall computational cost of the simulations. In this paper we perform molecular dynamics simulations of ½ 〈1 1 1〉 screw dislocation motion in tungsten using step and linear time functions for applying external stress. We find that linear functions over time scales of the order of 10–20 ps reduce fluctuations and speed up convergence to the steady-state velocity value by up to a factor of two.

Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W

Screw dislocations in bcc metals display non-planar cores at zero temperature which result in high lattice friction and thermally-activated strain rate behavior. In bcc W, electronic structure molecular statics calculations reveal a compact, non-degenerate core with an associated Peierls stress between 1.7 and 2.8 GPa. However, a full picture of the dynamic behavior of dislocations can only be gained by using more efficient atomistic simulations based on semiempirical interatomic potentials. In this paper we assess the suitability of five different potentials in terms of static properties relevant to screw dislocations in pure W. Moreover, we perform molecular dynamics simulations of stress-assisted glide using all five potentials to study the dynamic behavior of screw dislocations under shear stress. Dislocations are seen to display thermally-activated motion in most of the applied stress range, with a gradual transition to a viscous damping regime at high stresses. We find that one potential predicts a core transformation from compact to dissociated at finite temperature that affects the energetics of kink-pair production and impacts the mechanism of motion. We conclude that a modified embedded-atom potential achieves the best compromise in terms of static and dynamic screw dislocation properties, although at an expense of about ten-fold compared to central potentials.

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.

Interstitial defects stability in FeCr alloys vs Cr concentration

Finding adequate materials to withstand the demanding conditions in the future fusion and fission reactors is a real challenge in the development of these technologies. Structural materials need to sustain high irradiation doses and temperatures that will change the microstructure over time. A better understanding of the changes produced by the irradiation will allow for a better choice of materials, ensuring a safer and reliable future power plants. High-Cr ferritic/martensitic steels head the list of structural materials due to their high resistance to swelling and corrosion. However, it is well known that these alloys present a problem of embrittlement, which could be caused by the presence of defects created by irradiation as these defects act as obstacles for dislocation motion. Therefore, the mechanical response of these materials will depend on the type of defects created during irradiation. In this work, we address a study of the effect Cr concentration has on single interstitial defect formation energies in FeCr alloys.

Thermal diffusion profile by NRA of Deuterium implanted in solid breeder blanket materials

This paper studies the relationship between aging, physical changes and the results of non-destructive testing of plywood. 176 pieces of plywood were tested to analyze their actual and estimated density using non-destructive methods (screw withdrawal force and ultrasound wave velocity) during a laboratory aging test. From the results of statistical analysis it can be concluded that there is a strong relationship between the non-destructive measurements carried out, and the decline in the physical properties of the panels due to aging. The authors propose several models to estimate board density. The best results are obtained with ultrasound. A reliable prediction of the degree of deterioration (aging) of board is presented. Breeder blanket materials have to produce tritium from lithium while fulfilling several strict conditions. In particular, when dealing with materials to be applied in fusion reactors, one of the key questions is the study of light ions retention, which can be produced by transmutation reactions and/or introduced by interaction with the plasma. In ceramic breeders the understanding of the hydrogen isotopes behaviour and specially the diffusion of tritium to the surface is crucial. Moreover the evolution of the microstructure during irradiation with energetic ions, neutrons and electrons is complex because of the interaction of a high number of processes.

Non-destructive methods to estimate physical aging of plywood

This paper studies the relationship between aging, physical changes and the results of non-destructive testing of plywood. 176 pieces of plywood were tested to analyze their actual and estimated density using non-destructive methods (screw withdrawal force and ultrasound wave velocity) during a laboratory aging test. From the results of statistical analysis it can be concluded that there is a strong relationship between the non-destructive measurements carried out, and the decline in the physical properties of the panels due to aging. The authors propose several models to estimate board density. The best results are obtained with ultrasound. A reliable prediction of the degree of deterioration (aging) of board is presented.

Simulation of Freight Trains Equipped with Partially Filled Tank Containers and Related Resonance Phenomenon

To study the fluid motion-vehicle dynamics interaction, a model of four, liquid filled two-axle container freight wagons was set up. The railway vehicle has been modelled as a multi-body system (MBS). To include fluid sloshing, an equivalent mechanical model has been developed and incorporated. The influence of several factors has been studied in computer simulations, such as track defects, curve negotiation, train velocity, wheel wear, liquid and solid wagonload, and container baffles. SIMPACK has been used for MBS analysis, and ANSYS for liquid sloshing modelling and equivalent mechanical systems validation. Acceleration and braking manoeuvres of the freight train set the liquid cargo into motion. This longitudinal sloshing motion of the fluid cargo inside the tanks initiated a swinging motion of some components of the coupling gear. The coupling gear consists of UIC standard traction hooks and coupling screws that are located between buffers. One of the coupling screws is placed in the traction hook of the opposite wagon thus joining the two wagons, whereas the unused coupling screw rests on a hanger. Simulation results showed that, for certain combinations of type of liquid, filling level and container dimensions, the liquid cargo could provoke an undesirable, although not hazardous, release of the unused coupling screw from its hanger. The coupling screw's release was especially obtained when a period of acceleration was followed by an abrupt braking manoeuvre at 1 m/s2. It was shown that a resonance effect between the liquid's oscillation and the coupling screw's rotary motion could be the reason for the coupling screw's undesired release. Possible solutions to avoid the phenomenon are given.Acceleration and braking manoeuvres of the freight train set the liquid cargo into motion. This longitudinal sloshing motion of the fluid cargo inside the tanks initiated a swinging motion of some components of the coupling gear. The coupling gear consists of UIC standard traction hooks and coupling screws that are located between buffers. One of the coupling screws is placed in the traction hook of the opposite wagon thus joining the two wagons, whereas the unused coupling screw rests on a hanger. This paper reports on a study of the fluid motion-train vehicle dynamics interaction. In the study, a model of four, liquid-filled two-axle container freight wagons was developed. The railway vehicle has been modeled as a multi-body system (MBS). To include fluid sloshing, an equivalent mechanical model has been developed and incorporated. The influence of several factors has been studied in computer simulations, such as track defects, curve negotiation, train velocity, wheel wear, liquid and solid wagonload, and container baffles. A simulation program was used for MBS analysis, and a finite element analysis program was used for liquid sloshing modeling and equivalent mechanical systems validation. Acceleration and braking maneuvers of the freight train set the liquid cargo into motion. This longitudinal sloshing motion of the fluid cargo inside the tanks initiated a swinging motion of some components of the coupling gear. Simulation results showed that, for certain combinations of type of liquid, filling level and container dimensions, the liquid cargo could provoke an undesirable, although not hazardous, release of an unused coupling screw from its hanger. It was shown that a resonance effect between the liquid's oscillation and the coupling screw's rotary motion could be the reason for the coupling screw's undesired release. Solutions are suggested to avoid the resonance problem, and directions for future research are given.

Radio-holografía de microondas para la optimización de la superficie de grandes antenas reflectoras

En el presente trabajo de tesis se afronta el problema de la optimización de la superficie de grandes antenas reflectoras. Es sabido que los grandes reflectores, formados por una superficie panelada, sufren deformaciones debidas al impacto del viento, a los cambios de temperatura y a los efectos gravitacionales derivados del gran peso de la estructura. Estos efectos hacen que los reflectores pierdan su forma ideal, generalmente de paraboloide, y se reduzca su eficiencia de apertura y, por tanto, se limite la máxima frecuencia de uso de los mismos. Es necesario, por tanto, disponer de técnicas que permitan medir el estado de la superficie de grandes reflectores, y derivar los ajustes necesarios a aplicar sobre los tornillos de soporte de cada uno de los paneles que conforman dicha superficie. De esta manera, se devolvería al reflector su forma óptima y aumentaría la eficiencia de apertura y el rango de frecuencias de uso. Hay que resaltar que el aumento de la eficiencia de un radiotelescopio supone una reducción en el tiempo de integración necesario para la detección de las debilísimas señales generadas por las radiofuentes naturales, ahorrando así valioso tiempo de observación. Además, el incremento en el rango de frecuencias permite la detección de nuevas líneas o especies moleculares en dichas radiofuentes. Tras un primer capítulo introductorio, se presenta, en el capítulo segundo, la geometría de estos grandes reflectores y la influencia de los distintos factores que afectan a la calidad de la superficie de los mismos, como la gravedad, el viento y la temperatura, particularizando para el caso del radiotelescopio de 40 metros del Centro Astronómico de Yebes. En el tercer capítulo, se presentan las diferentes técnicas metrológicas empleadas actualmente para abordar la determinación de estos ajustes, mostrándose las ventajas e inconvenientes de cada una de ellas. Actualmente, la técnica metrológica más precisa y rápida para llevar a cabo esta tarea de caracterización de la superficie de un gran reflector, es la radio-holografía de microondas presentada en el capítulo cuarto. A partir de las medidas proporcionadas por esta técnica, realizadas con la ayuda de un transmisor, y mediante transformaciones de campo, se calculan los errores de la superficie del reflector, respecto al paraboloide ideal, y se derivan los ajustes necesarios. En los capítulos quinto y sexto se presentan los resultados de la aplicación de esta técnica a dos radiotelescopios: el de 30 metros de IRAM en Pico de Veleta (Granada) y los prototipos de 12 metros de las antenas del proyecto ALMA. Por su parte, el capítulo séptimo contiene el núcleo fundamental de esta tesis y presenta el desarrollo de la técnica de radio-holografía de microondas para optimizar la superficie del radiotelescopio de 40 metros del Centro Astronómico de Yebes. Para ello, ha sido necesario diseñar, construir e instalar un receptor de doble canal en banda Ku en foco primario, y la instrumentación asociada para hacer las medidas de amplitud y fase del diagrama de radiación. Además, ha sido necesario desarrollar el software para llevar a cabo las transformaciones de campo y derivar los ajustes de los paneles. De las medidas holográficas iniciales resultó un error de la superficie del radiotelescopio de 485 μm WRMS, respecto al paraboloide ideal en dirección normal. Tras varias iteraciones del proceso de medida y ajuste, se consiguió reducir dicho error a 194 μm WRMS. Esta notable mejora de la calidad de la superficie ha supuesto aumentar la eficiencia de apertura desde 2,6% al 38,2% a 86 GHz, para un receptor a esta frecuencia situado en el foco primario que produjese la misma iluminación que el receptor de holografía. In this thesis the problem of large reflector antenna surface optimization is faced. It is well known that large reflectors, which are made of a panelled surface, suffer from deformations due to the impact of wind, temperature gradients and gravity loads coming from the high weigth of the structure. These effects distort the ideal reflector shape, which is a paraboloid in most cases, hence reducing the aperture efficiency of the reflector and limiting the maximum frequency of operation. Therefore, it is necessary to have some techniques to measure the status of large reflector surfaces and to derive the adjustment values to be applied to the screws that connect the surface panels to the reflector back-up structure. In this way, the reflector would recover its optimum shape and the aperture efficiency and frequency range would increase. It has to be stated that an increment in the radiotelescope aperture efficiency would imply a reduction in the integration time needed to detect such weak signals coming from natural radiosources in space and, hence, an important saving in observation time. In addition, the increase in the frequency range of operation would allow the detection of new molecular lines in those radiosources. After the introduction, the second chapter shows the geometry of large reflector antennas and the impact on its surface quality of different factors like gravity, wind and temperature, particularly for the case of the Centro Astronómico de Yebes 40 meter radiotelescope. The third chapter deals with the different metrology techniques used to determine the panel adjustments, including the advantages and drawbacks of each one Currently, the most accurate and fast metrologic technique to carry out the characterization of large reflector surfaces is microwave radio-holography2, which is shown in chapter four. From the measurements provided by microwave radio-holography, performed with the help of a transmitter, and with the use of field transformations, the reflector surface errors are computed and the panel adjustments are derived. Chapters five and six show the results of holographic measurements applied to two first class radiotelescopes: the IRAM 30 meter radiotelescope and the 12 meter prototype antennas for the ALMA project. Chapter seven contains the main work of this thesis. It presents the development of the microwave radio-holography technique for the optimization of the Centro Astronómico de Yebes 40m radiotelescope. The work implied the design, construction and instalation of a prime focus Ku-band dual channel receiver, together with the associated instrumentation to measure the amplitude and phase of the radiotelescope radiation pattern. In addition, the software to carry out field transformations and screw settings computations was developed too. Initial holography measurements came up with an surface error of 485 μmWRMS in normal direction with respect to the best-fit paraboloid. After a few iterations of the measurementadjustment cycle, the surface error was reduced to 194 μm WRMS. This remarkable improvement in surface quality means an increment in aperture efficiency from 2,6% to 38,2% at 86 GHz, assuming a receiver at this frequency in prime focus position which produces the same illumination as the holography receiver.

Diseño y Desarrollo de un Robot de Inspección de Tuberías

El siguiente trabajo presenta un desarrollo innovador de un Robot de Inspección de Tuberías, el cual fue diseñado para operación de Tuberías Verticales (RETOV Robot de operación en tuberías Verticales (siglas en Español)). Cuando RETOV es usado para inspeccionar pozos petroleros, puede ser controlado desde la superficie, esto permite al operador la inspección y monitoreo del pozo. Esto es efectuado a través de una interfaz de usuario que controla el Robot. RETOV fue diseñado con anillos articulados que abrazan la tubería, un nuevo sistema de amortiguación y ruedas móviles brinda la posibilidad de navegar y evitar obstáculos en la tubería realizando tres tipos de movimientos: rotación, traslación y helicoidal. Adicionalmente RETOV fue diseñado para realizar inspección entre dos tuberías(la tubería de producción y el pozo petrolero), con un sistema de seguridad y una estructura liviana, RETOV puede ser equipado con sensores para medir las variables de interés en el pozo. El diseño de la mecánica y el programa de control, la instrumentación, los modelos matemáticos y resultados de las pruebas han sido descritos en esta Tesis. The following Doctoral Thesis presents an innovative application of a Pipe Inspection Robot, which was designed especially as Operation Robot in Vertical Pipes (RETOV) (Robot for operation vertical pipes (Spanish acronyms)). When RETOV is used to inspect Oil Well, can be controlled from the surface, it´s allow the operator the well inspection and monitoring. This is done through our interface that controls the robot. The RETOV was designed with an articulated ring systems that embrace the pipe, a new damping systems and mobile wheels bring the possibility to navigate and avoid obstacles into the well, performing three types of movement: Rotational, translational and screw. Additional, RETOV was designed to perform the inspection between two pipes (pipe and oil well production), with a security braking systems and lightweight structure; RETOV can be equipment with sensors to measure the variables of interest in the well. The hardware and Software design, the instrumentation, the mathematical models, and the test results have been described in this thesis.

Clasificación de madera estructural de gran escuadría de Pinus sylvestris l. mediante métodos no destructivos

Esta Tesis Doctoral aborda el estudio de algunas técnicas no destructivas para la clasificación de madera de pino silvestre (Pinus sylvestris L.) de procedencia española y de gruesa escuadría para uso estructural. Para la estimación del módulo de elasticidad y de la resistencia se han aplicado técnicas basadas en la propagación de una onda a través de la madera: onda de ultrasonidos (Sylvatest) o de impacto (Microsecond Timer) en dirección longitudinal, o vibración en dirección longitudinal y transversal (PLG). Para la estimación de la densidad se han utilizado métodos puntuales basados en el penetrómetro (Pilodyn) y en la resistencia al arranque de un tornillo. Las variables obtenidas han sido relacionadas con los resultados de la clasificación visual y con las propiedades de la madera determinadas mediante ensayo mecánico. Además, se ha estudiado la influencia de la humedad de la madera en la velocidad de propagación de la onda para definir factores de corrección a los equipos comerciales utilizados en esta Tesis Doctoral. La muestra de estudio está formada por 244 piezas procedentes de El Espinar, Segovia, con dimensiones nominales 150 x 200 x 4000 mm (218 piezas) y 100 x 150 x 3000 mm (26 piezas). De todas las piezas se tomaron datos de dimensiones, contenido de humedad y clasificación visual según la norma UNE 56544. En las primeras 218 vigas se aplicaron las técnicas de ultrasonidos, onda de impacto y vibraciones, se determinó la densidad de cada pieza completa y se ensayaron según la norma UNE-EN 408 para obtener el módulo de elasticidad global (en todos los casos) y local (en un porcentaje), así como de la tensión de rotura. Se extrajeron tres rebanadas para los ensayos puntuales y para el cálculo de la densidad. En las otras 26 piezas se repitieron los ensayos (transmisión de onda, vibración y clasificación visual) durante el proceso de secado natural, desde que la madera se encontraba húmeda (en torno al 40 %) hasta la humedad de equilibrio higroscópico (en torno al 9%). Respecto a la clasificación visual no se han observado diferencias significativas entre la calidad MEG o las rechazadas. Se han estudiado las consecuencias del secado (principalmente las deformaciones) y no se ha encontrado justificación para que estos defectos penalicen la clasificación. Para la densidad, el mayor R2 obtenido ha sido de un 47% a partir del uso combinado de los dos equipos puntuales (penetrómetro y arranque de tornillo). Para el módulo de elasticidad y la tensión de rotura, la mejor relación se ha obtenido a partir de la técnica de vibración longitudinal, con unos coeficientes de 79% y un 52% respectivamente. Se ha estimado que el aumento de un punto porcentual en el contenido de humedad de la madera produce una pérdida de velocidad de onda del 0,58% para Sylvatest y Microsecond Timer, y del 0,71% para PLG. Estos valores son generalizables para un rango de humedades entre 9 y 25 %. Abstract This Doctoral Thesis approach the study of some non-destructive techniques as a classification method for structural use of Scots pine wood of Spanish origin with large cross section. To estimate the modulus of elasticity and strength have been used techniques based on the propagation of a wave through the timber: ultrasonic wave (Sylvatest) or stress wave (Microsecond Timer) in longitudinal direction, or vibration in longitudinal and transversal direction (PLG). Local probing methods have been applied to estimate the density, based on penetrometer (Pilodyn) and the screw withdrawal resistance meter. The different variables obtained were compared with the results of the visual grading and the values of the properties of the wood determined by the standardized test of the pieces. Furthermore, the influence of the moisture content of the wood on the velocity of propagation of the waves through the timber has been analyzed in order to establish a correction factor for the commercial devices used in this Doctoral Thesis. The sample tested consists of 244 pieces from El Espinar, Segovia, with nominal dimensions 150 x 200 x 4000 mm (218 pieces) and 100 x 150 x 3000 mm (26 pieces). Data collection about dimensions, moisture content and visual grading according to the UNE 56544 standard were carried out on all the pieces. The first 218 pieces were tested by non destructive techniques based on ultrasonic wave, stress wave and vibration, the density was measured on each piece and bending test according to the UNE-EN 408 standard was carried out for calculating the global modulus of elasticity (all the pieces) and the local one (only a representative group), as well as the bending strength. Three slices were removed for implementing the local probing and to calculate the density. In the other 26 pieces the tests (wave transmission, vibration and visual grading) were repeated during the natural drying process, from wet timber (around 40 % moisture content) up to the equilibrium moisture content (around 9%). Regarding the visual grading no significant differences were observed between MEG or rejected pieces. The effects of drying (deformations) have been studied, and justification for the specification hasn't been found. To estimate the density, the greater R2 obtained was 47% by using both penetrometer and screw withdrawal. For the modulus of elasticity and bending strength, the best relationship has been found with the longitudinal vibration, with coefficients of 79% and 52% respectively. It has been estimated that an increase of a point of the moisture content of the wood produces a decrease on the velocity obtained from ultrasonic or stress wave of 0,58%, and 0,71 % for the one obtained from vibration. Those values can be generalized for a range of moisture content from 9 to 25 %.

Dimensional synthesis of a spherical parallel manipulator based on the evaluation of global performance indexes

In this work, the dimensional synthesis of a spherical Parallel Manipulator (PM) with a -1S kinematic chain is presented. The goal of the synthesis is to find a set of parameters that defines the PM with the best performance in terms of workspace capabilities, dexterity and isotropy. The PM is parametrized in terms of a reference element, and a non-directed search of these parameters is carried out. First, the inverse kinematics and instantaneous kinematics of the mechanism are presented. The latter is found using the screw theory formulation. An algorithm that explores a bounded set of parameters and determines the corresponding value of global indexes is presented. The concepts of a novel global performance index and a compound index are introduced. Simulation results are shown and discussed. The best PMs found in terms of each performance index evaluated are locally analyzed in terms of its workspace and local dexterity. The relationship between the performance of the PM and its parameters is discussed, and a prototype with the best performance in terms of the compound index is presented and analyzed.

Micropillar compression of LiF [111] single crystals: effect of size, ion irradiation and misorientation

The mechanical response under compression of LiF single crystal micropillars oriented in the [111] direction was studied. Micropillars of different diameter (in the range 1–5 lm) were obtained by etching the matrix in directionally-solidified NaCl–LiF and KCl–LiF eutectic compounds. Selected micropillars were exposed to high-energy Ga+ ions to ascertain the effect of ion irradiation on the mechanical response. Ion irradiation led to an increase of approximately 30% in the yield strength and the maximum compressive strength but no effect of the micropillar diameter on flow stress was found in either the as-grown or the ion irradiated pillars. The dominant deformation micromechanisms were analyzed by means of crystal plasticity finite element simulations of the compression test, which explained the strong effect of micropillar misorientation on the mechanical response. Finally, the lack of size effect on the flow stress was discussed to the light of previous studies in LiF and other materials which show high lattice resistance to dislocation motion.

Ballistic performance of nanocrystalline and nanotwinned ultrafine crystal steel

Because of their remarkable mechanical properties, nanocrystalline metals have been the focus of much research in recent years. Refining their grain size to the nanometer range (<100 nm) effectively reduces their dislocation mobility, thus achieving very high yield strength and surface hardness—as predicted by the Hall–Petch relation—as well as higher strain-rate sensitivity. Recent works have additionally suggested that nanocrystalline metals exhibit an even higher compressive strength under shock loading. However, the increase in strength of these materials is generally accompanied by an important reduction in ductility. As an alternative, efforts have been focused on ultrafine crystals, i.e. polycrystals with a grain size in the range of 500 nm to 1 μm, in which “growth twins” (twins introduced inside the grain before deformation) act as barriers against dislocation movement, thus increasing the strength in a similar way as nanocrystals but without significant loss of ductility. Due to their outstanding mechanical properties, both nanocrystalline and nanotwinned ultrafine crystalline steels appear to be relevant candidates for ballistic protection. The aim of the present work is to compare their ballistic performance against coarse-grained steel, as well as to identify the effect of the hybridization with a carbon fiber–epoxy composite layer. Hybridization is proposed as a way to improve the nanocrystalline brittle properties in a similar way as is done with ceramics in other protection systems. The experimental campaign is finally complemented by numerical simulations to help identify some of the intrinsic deformation mechanisms not observable experimentally. As a conclusion, nanocrystalline and nanotwinned ultrafine crystals show a lower energy absorption than coarse-grained steel under ballistic loading, but under equal impact conditions with no penetration, deformation in the impact direction is smaller by nearly 40%. This a priori surprising difference in the energy absorption is rationalized by the more important local contribution of the deviatoric stress vs. volumetric stress under impact than under uniaxial deformation. Ultimately, the deformation advantage could be exploited in the future for personal protection systems where a small deformation under impact is of key importance.

Role of surface trap states on two-dimensional electron gas density in InAlN/AlN/GaN heterostructures

In order to clarify the effect of charged dislocations and surface donor states on the transport mechanisms in polar AlInN/AlN/GaN heterostructures, we have studied the current-voltage characteristics of Schottky junctions fabricated on AlInN/AlN/GaN heterostructures. The reverse-bias leakage current behaviour has been interpreted with a Poole-Frenkel emission of electrons from trap states near the metal-semiconductor junction to dislocation induced states. The variation of the Schottky barrier height as a function of the AlN layer thickness has been measured and discussed, considering the role of the surface states in the formation of the two dimensional electron gas at AlN/GaN interface.

Superplastic deformation of directionally solidified nanofibrillar Al2O3-Y3Al5O12-ZrO2 eutectics

Nanofibrillar Al2O3–Y3Al5O12–ZrO2 eutectic rods were manufactured by directional solidification from the melt at high growth rates in an inert atmosphere using the laser-heated floating zone method. Under conditions of cooperative growth, the ternary eutectic presented a homogeneous microstructure, formed by bundles of single-crystal c-oriented Al2O3 and Y3Al5O12 (YAG) whiskers of ≈100 nm in width with smaller Y2O3-doped ZrO2 (YSZ) whiskers between them. Owing to the anisotropic fibrillar microstructure, Al2O3–YAG–YSZ ternary eutectics present high strength and toughness at ambient temperature while they exhibit superplastic behavior at 1600 K and above. Careful examination of the deformed samples by transmission electron microscopy did not show any evidence of dislocation activity and superplastic deformation was attributed to mass-transport by diffusion within the nanometric domains. This combination of high strength and toughness at ambient temperature together with the ability to support large deformations without failure above 1600 K is unique and shows a large potential to develop new structural materials for very high temperature structural applications.