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.

Effect of misorientation on the compression of highly anisotropic single-crystal micropillars

The effect of crystal misorientation, geometrical tilt, and contact misalignment on the compression of highly anisotropic single crystal micropillars was assessed by means of crystal plasticity finite element simulations. The investigation was focused in single crystals with the NaCl structure, like MgO or LiF, which present a marked plastic anisotropy as a result of the large difference in the critical resolved shear stress between the “soft” {110}〈110〉 and the “hard” {100}〈110〉 active slip systems. It was found that contact misalignment led to a large reduction in the initial stiffness of the micropillar in crystals oriented in the soft and hard direction. The crystallographic tilt did not modify, however, the initial crystal stiffness. From the viewpoint of the plastic response, none of the effects analyzed led to significant differences in the flow stress when the single crystals were oriented along the “soft” [100] direction. Large differences were found, however, if the single crystal was oriented in the “hard” [111] direction as a result of the activation of the soft slip system. Numerical simulations were in very good agreement with experimental literature data.

Resonant behaviour of the barrier of YBa2Cu3O7 grain boundary Josephson junctions fabricated on bicrystalline substrates with different geometries

We have analyzed a resonant behavior in the dielectric constant associated to the barrier of YBa2Cu3O7 (YBCO) grain boundary Josephson junctions (GBJJs) fabricated on a wide variety of bicrystalline substrates: 12° [0 0 1] tilt asymmetric, 24° [0 0 1] tilt asymmetric, 24° [0 0 1] tilt symmetric, 24° [1 0 0] tilt asymmetric, 45° [1 0 0] tilt asymmetric and 24° [0 0 1] tilt symmetric +45° [1 0 0] tilt asymmetric bicrystals. The resonance analysis allows us to estimate a more appropriate value of the relative dielectric constant, and so a more adequate value for the length L of the normal N region assuming a SNINS model for the barrier. In this work, the L dependence on the critical current density Jc has been investigated. This analysis makes possible a single representation for all the substrate geometries independently on around which axes the rotation is produced to generate the grain boundary. On the other hand, no clear evidences exist on the origin of the resonance. The resonance frequency is in the order of 1011 Hz, pointing to a phonon dynamic influence on the resonance mechanism. Besides, its position is affected by the oxygen content of the barrier: a shift at low frequencies is observed when the misorientation angle increases.

Continuum models of the mechanical behavior of rolled and die-cast magnesium alloys

En los últimos años ha habido una fuerte tendencia a disminuir las emisiones de CO2 y su negativo impacto medioambiental. En la industria del transporte, reducir el peso de los vehículos aparece como la mejor opción para alcanzar este objetivo. Las aleaciones de Mg constituyen un material con gran potencial para el ahorro de peso. Durante la última década se han realizado muchos esfuerzos encaminados a entender los mecanismos de deformación que gobiernan la plasticidad de estos materiales y así, las aleaciones de Mg de colada inyectadas a alta presión y forjadas son todavía objeto de intensas campañas de investigación. Es ahora necesario desarrollar modelos que contemplen la complejidad inherente de los procesos de deformación de éstos. Esta tesis doctoral constituye un intento de entender mejor la relación entre la microestructura y el comportamiento mecánico de aleaciones de Mg, y dará como resultado modelos de policristales capaces de predecir propiedades macro- y microscópicas. La deformación plástica de las aleaciones de Mg está gobernada por una combinación de mecanismos de deformación característicos de la estructura cristalina hexagonal, que incluye el deslizamiento cristalográfico en planos basales, prismáticos y piramidales, así como el maclado. Las aleaciones de Mg de forja presentan texturas fuertes y por tanto los mecanismos de deformación activos dependen de la orientación de la carga aplicada. En este trabajo se ha desarrollado un modelo de plasticidad cristalina por elementos finitos con el objetivo de entender el comportamiento macro- y micromecánico de la aleación de Mg laminada AZ31 (Mg-3wt.%Al-1wt.%Zn). Este modelo, que incorpora el maclado y tiene en cuenta el endurecimiento por deformación debido a las interacciones dislocación-dislocación, dislocación-macla y macla-macla, predice exitosamente las actividades de los distintos mecanismos de deformación y la evolución de la textura con la deformación. Además, se ha llevado a cabo un estudio que combina difracción de electrones retrodispersados en tres dimensiones y modelización para investigar el efecto de los límites de grano en la propagación del maclado en el mismo material. Ambos, experimentos y simulaciones, confirman que el ángulo de desorientación tiene una influencia decisiva en la propagación del maclado. Se ha observado que los efectos no-Schmid, esto es, eventos de deformación plástica que no cumplen la ley de Schmid con respecto a la carga aplicada, no tienen lugar en la vecindad de los límites de baja desorientación y se hacen más frecuentes a medida que la desorientación aumenta. Esta investigación también prueba que la morfología de las maclas está altamente influenciada por su factor de Schmid. Es conocido que los procesos de colada suelen dar lugar a la formación de microestructuras con una microporosidad elevada, lo cuál afecta negativamente a sus propiedades mecánicas. La aplicación de presión hidrostática después de la colada puede reducir la porosidad y mejorar las propiedades aunque es poco conocido su efecto en el tamaño y morfología de los poros. En este trabajo se ha utilizado un enfoque mixto experimentalcomputacional, basado en tomografía de rayos X, análisis de imagen y análisis por elementos finitos, para la determinación de la distribución tridimensional (3D) de la porosidad y de la evolución de ésta con la presión hidrostática en la aleación de Mg AZ91 (Mg- 9wt.%Al-1wt.%Zn) colada por inyección a alta presión. La distribución real de los poros en 3D obtenida por tomografía se utilizó como input para las simulaciones por elementos finitos. Los resultados revelan que la aplicación de presión tiene una influencia significativa tanto en el cambio de volumen como en el cambio de forma de los poros que han sido cuantificados con precisión. Se ha observado que la reducción del tamaño de éstos está íntimamente ligada con su volumen inicial. En conclusión, el modelo de plasticidad cristalina propuesto en este trabajo describe con éxito los mecanismos intrínsecos de la deformación de las aleaciones de Mg a escalas meso- y microscópica. Más especificamente, es capaz de capturar las activadades del deslizamiento cristalográfico y maclado, sus interacciones, así como los efectos en la porosidad derivados de los procesos de colada. ---ABSTRACT--- The last few years have seen a growing effort to reduce CO2 emissions and their negative environmental impact. In the transport industry more specifically, vehicle weight reduction appears as the most straightforward option to achieve this objective. To this end, Mg alloys constitute a significant weight saving material alternative. Many efforts have been devoted over the last decade to understand the main mechanisms governing the plasticity of these materials and, despite being already widely used, high pressure die-casting and wrought Mg alloys are still the subject of intense research campaigns. Developing models that can contemplate the complexity inherent to the deformation of Mg alloys is now timely. This PhD thesis constitutes an attempt to better understand the relationship between the microstructure and the mechanical behavior of Mg alloys, as it will result in the design of polycrystalline models that successfully predict macro- and microscopic properties. Plastic deformation of Mg alloys is driven by a combination of deformation mechanisms specific to their hexagonal crystal structure, namely, basal, prismatic and pyramidal dislocation slip as well as twinning. Wrought Mg alloys present strong textures and thus specific deformation mechanisms are preferentially activated depending on the orientation of the applied load. In this work a crystal plasticity finite element model has been developed in order to understand the macro- and micromechanical behavior of a rolled Mg AZ31 alloy (Mg-3wt.%Al-1wt.%Zn). The model includes twinning and accounts for slip-slip, slip-twin and twin-twin hardening interactions. Upon calibration and validation against experiments, the model successfully predicts the activity of the various deformation mechanisms and the evolution of the texture at different deformation stages. Furthermore, a combined three-dimensional electron backscatter diffraction and modeling approach has been adopted to investigate the effect of grain boundaries on twin propagation in the same material. Both experiments and simulations confirm that the misorientation angle has a critical influence on twin propagation. Non-Schmid effects, i.e. plastic deformation events that do not comply with the Schmid law with respect to the applied stress, are absent in the vicinity of low misorientation boundaries and become more abundant as misorientation angle increases. This research also proves that twin morphology is highly influenced by the Schmid factor. Finally, casting processes usually lead to the formation of significant amounts of gas and shrinkage microporosity, which adversely affect the mechanical properties. The application of hydrostatic pressure after casting can reduce the porosity and improve the properties but little is known about the effects on the casting’s pores size and morphology. In this work, an experimental-computational approach based on X-ray computed tomography, image analysis and finite element analysis is utilized for the determination of the 3D porosity distribution and its evolution with hydrostatic pressure in a high pressure diecast Mg AZ91 alloy (Mg-9wt.%Al-1wt.%Zn). The real 3D pore distribution obtained by tomography is used as input for the finite element simulations using an isotropic hardening law. The model is calibrated and validated against experimental stress-strain curves. The results reveal that the pressure treatment has a significant influence both on the volume and shape changes of individuals pores, which have been precisely quantified, and which are found to be related to the initial pore volume. In conclusion, the crystal plasticity model proposed in this work successfully describes the intrinsic deformation mechanisms of Mg alloys both at the mesoscale and the microscale. More specifically, it can capture slip and twin activities, their interactions, as well as the potential porosity effects arising from casting processes.