Les nanoparticules luminescentes sont particulièrement étudiées pour leur application dans les systèmes d’éclairages ou comme sondes en bio-imagerie. Parmi elles, les nanoparticules anisotropes de matrices cristallines dopées par des ions lanthanides présentent une émission polarisée, qui dépend de la symétrie des sites des ions émetteurs. Le lien entre direction de polarisation et axes cristallins des nanocristaux permet de déterminer leur orientation, et peut donc être exploité pour suivre l'orientation d’objets ou pour caractériser la déformation de milieux hôtes.Les objectifs de ce doctorat ont été de s’intéresser aux origines fondamentales de l’émission polarisée de nanobâtonnets de phosphate de lanthane dopés par des ions europium trivalents (LaPO4:Eu) et d’utiliser la luminescence polarisée à des mesures d’orientation.Dans une première partie, les nanobâtonnets de LaPO4:Eu ont été synthétisés puis alignés sous forme des films orientés. La luminescence de ces films a permis de suivre avec précision la transition de phase de la matrice hôte, de sa structure hexagonale à une structure monoclinique ; et de mettre en évidence la présence de défauts structuraux. La polarisation des spectres de luminescence a ensuite été étudiée. Les taux de polarisation mesurés sont plus élevés pour la phase monoclinique que pour la phase hexagonale. La sensibilité du spectre de polarisation au milieu diélectrique qui les entoure a été mise en évidence.La seconde partie de cette étude porte sur l’utilisation de la polarisation des nanobâtonnets de LaPO4:Eu pour déterminer leur orientation. La connaissance des spectres polarisés des films parfaitement alignés a permis de déterminer le paramètre d’ordre d’une suspension de nanobâtonnets désordonnés en écoulement dans un canal microfluidique puis d’estimer le taux de cisaillement de cet écoulement. Notre étude a permis de préciser quantitativement les conditions dans lesquelles l’utilisation de la luminescence polarisée comme sonde locale du taux de cisaillement d’un écoulement est valide. / Luminescent nanoparticles have been studied for their applications in lighting devices or as probes in biology. Among these nanoparticles, the anisotropic crystals doped with lanthanides ions emit linearly polarized light. The relation between the polarized directions and the crystallographic axis of the nanocrystals allow determining their 3D orientation, which could be an asset to track objects or to characterize flows.The purposes of this thesis were to investigate the origin of the polarized light of nanorods of lanthanum phosphate doped with europium ions (LaPO4:Eu) and to apply this polarized light to determine their orientation.First, nanorods of LaPO4:Eu are synthesized and aligned to prepare oriented films. The phase transition of the LaPO4 matrix is investigated, from the hexagonal to the monoclinic structure. The luminescence is used to track precisely the transition and show the presence of structural defects. Then the polarized spectra are observed. The polarization degrees of the monoclinic phase are higher than those of the hexagonal one. The sensitivity of the polarization with the dielectric medium is also shown.Then, the polarized light is used to determine the orientation of the nanorods. The knowledge of the polarized spectra along he nanorods axis and perpendicularly to it is used to calculate the order parameter of disoriented nanorods in a microfluidic channel and then to estimate the shear rate of the flow. Our study allows quantifying the conditions in which the nanorods can be used as probes to measure the local shear rate.

La fabrication de matériaux ductiles insère généralement des impuretés dans leurs compositions microscopiques. Ces impuretés peuvent se détacher de la matrice environnante et même se fissurer lors d’une déformation progressive. En raison de la résultante incapacité de ces particules indésirables à supporter toute contrainte, ces matériaux ductiles sont, de manière équivalente, supposés être poreux. Il a été largement démontré que la porosité joue un rôle fondamental dans les mécanismes de la rupture ductile. Depuis les années 1970, de nombreux modèles micromécaniques ont été proposés dans le but de décriremathématiquement ces mécanismes. Parmi eux, le célèbre modèle de Gurson combine la technique d’homogénéisation avec le théorème cinématique de l’analyse limite pour estimer le critère de plastification macroscopique et la loi d’évolution de la porosité des matériaux ductiles poreux. Cependant, le modèle de Gurson, ainsi que la plupart de ses extensions, ne tient compte que de la rupture ductile isotrope. Le but du présent travail est donc de contribuer à la conception de critères de plastification pour la rupture ductile des milieuxporeux anisotropes. Trois contributions principales tirant parti d’hypothèses similaires à celles du modèle de Gurson sont ici proposées. La première contribution est l’évaluation de l’influence de la morphologie des vides sur les critères de plastification macroscopique de ces classes de matériaux. La deuxième est l’inclusion d’un critère de plastification anisotrope dans la matrice du matériau, de sorte que le comportement macroscopique présente une anisotropie induite par cette matrice, y compris pour les cavités sphériques. Le troisième et dernier progrès consiste à généraliser le critère de plastification de la matrice afin d’inclure une classe de fonctions de plastification basée sur des transformations linéaires. Cette classe de fonction a été largement employée avec succès pour représenter des alliages d’aluminium à haute résistance. Les résultats ici présentés soulignent la cohérence et la robustesse des trois formulations. En outre, le rôle de la porosité sur la modélisation de la plasticité des alliages d’aluminium incite à poursuivre les travaux sur la caractérisation expérimentale des paramètres d’anisotropie. / The manufacturing of ductile materials generally inserts impurities into their microscopic composition. These impurities may detach from the surrounding matrix and even crack along progressive deformation. Due to the consequent incapacity of these undesirable particles of supporting any stress, these ductile materials are equivalently assumed to be porous. Porosity has been effectively shown to play a fundamental role in the mechanisms of ductile fracture. Many micromechanical models have been proposed since the 1970s with the aim of mathematically describing these mechanisms. Among them, the acclaimed Gursonmodel combines the averaging homogenization technique with the kinematic theorem of Limit Analysis to estimate the macroscopic yield criterion and porosity evolution law of porous ductile materials. However, the Gurson model and most of its extensions only account for isotropic ductile fracture. Thus, the purpose of the present work is to contribute to the conception of yield criteria for anisotropic porous ductile rupture. Three main contributions are hereby proposed by profiting from similar hypothesis to those of the Gurson model. The first contribution is the assessment of the influence of void morphology on overall yield criteria for those classes of materials. The second is the inclusion of ananisotropic yield criterion in the material matrix so that the macroscopic behavior present matrix-induced anisotropy even for spherical cavities. The third and last advancement consists of generalizing the material matrix yield criterion of the Gurson model in order to comprehend a linear transformation-based class of yield functions that has been widely used to represent specific high strength aluminum alloys. The results hereby presented highlight the consistency and robustness of the three formulations. Moreover, the role of the porosity on the modeling of yield behavior of aluminum alloys encourages further work regarding experimental parameter characterization.

A wind turbine array was constructed in the wind tunnel at Portland State University in a standard Cartesian arrangement. Configurations of the turbine array were tested with rotor blades set to rotate in either a clockwise or counter-clockwise sense. Measurements of velocity were made with stereo particle-image velocimetry. Mean statistics of velocities and Reynolds stresses clearly show the effect of direction of rotation of rotor blades for both entrance and exit row turbines. Rotational sense of the turbine blades is visible in the mean spanwise velocity W and the Reynolds shear stress -[macron over vw]. The normalized anisotropy tensor was decomposed yielding invariants [lowercase eta] and [lowercase xi], which are plotted onto the Lumley triangle. Invariants of the normalized Reynolds stress anisotropy tensor indicate that distinct characters of turbulence exist in regions of the wake following the nacelle and the rotor blade tips. Eigendecomposition of the tensor yields principle components and corresponding coordinate system transformations. Characteristic spheroids are composed with the eigenvalues from the decomposition yielding shapes predicted by the Lumley triangle. Rotation of the coordinate system defined by the eigenvectors demonstrates streamwise trends, especially trailing the top rotor tip and below the hub of the rotors. Direction of rotation of rotor blades is evidenced in the orientation of characteristic spheroids according to principle axes. The characteristic spheroids of the anisotropy tensor and their relate alignments varies between cases clearly seen in the inflows to exit row turbines. There the normalized Reynolds stress anisotropy tensor shows cumulative effects of the rotational sense of upstream turbines. Comparison between the invariants of the Reynolds stress anisotropy tensor and terms from the mean mechanical energy equation indicate a correlation between the degree of anisotropy and the regions of the wind turbine wakes where turbulence kinetic energy is produced. The flux of kinetic energy into the momentum-deficit area of the wake from above the canopy is associated with prolate characteristic spheroids. Flux upward into the wake from below the rotor area is associate with oblate characteristic spheroids. Turbulence in the region of the flow directly following the nacelle of the wind turbines demonstrates more isotropy compared to the regions following the rotor blades. The power and power coefficients for wind turbines indicate that flow structures on the order of magnitude of the spanwise turbine spacing that increase turbine efficiency depending on particular array configuration.

Recent advances in machine learning have unlocked new potential for innovation in engineering science. Neural networks are used as universal function approximators that harness high-dimensional data with excellent learning capacity. While this is an opportunity to accelerate computational mechanics research, application in constitutive modeling is not trivial. Machine learning material response predictions without enforcing physical constraints may lack interpretability and could be detrimental to high-risk engineering applications. This dissertation presents a meta-modeling framework for automating the discovery of elastoplasticity models across material scales with emphasis on establishing interpretable and, hence, trustworthy machine learning modeling tools. Our objective is to introduce a workflow that leverages computational mechanics domain expertise to enforce / post hoc validate physical properties of the data-driven constitutive laws. Firstly, we introduce a deep learning framework designed to train and validate neural networks to predict the hyperelastic response of materials. We adopt the Sobolev training method and adapt it for mechanics modeling to gain control over the higher-order derivatives of the learned functions. We generate machine learning models that are thermodynamically consistent, interpretable, and demonstrate enhanced learning capacity. The Sobolev training framework is shown through numerical experiments on different material data sets (e.g. β-HMX crystal, polycrystals, soil) to generate hyperelastic energy functionals that predict the elastic energy, stress, and stiffness measures more accurately than the classical training methods that minimize L2 norms. To model path-dependent phenomena, we depart from the common approach to lump the elastic and plastic response into one black-box neural network prediction. We decompose the elastoplastic behavior into its interpretable theoretical components by training separately a stored elastic energy function, a yield surface, and a plastic flow that evolve based on a set of deep neural network predictions. We interpret the yield function as a level set and control its evolutionas the neural network approximated solutions of a Hamilton-Jacobi equation that governs the hardening/softening mechanism. Our framework may recover any classical literature yield functions and hardening rules as well as discover new mechanisms that are either unbeknownst or difficult to express with mathematical expressions. Through numerical experiments on a 3D FFT-generated polycrystal material response database, we demonstrate that our novel approach provides more robust and accurate forward predictions of cyclic stress paths than black-box deep neural network models. We demonstrate the framework's capacity to readily extend to more complex plasticity phenomena, such as pressure sensitivity, rate-dependence, and anisotropy. Finally, we integrate geometric deep learning and Sobolev training to generate constitutive models for the homogenized responses of anisotropic microstructures (e.g. polycrystals, granular materials). Commonly used hand-crafted homogenized microstructural descriptors (e.g. porosity or the averaged orientation of constitutes) may not adequately capture the topological structures of a material. This is overcome by introducing weighted graphs as new high-dimensional descriptors that represent topological information, such as the connectivity of anisotropic grains in an assemble. Through graph convolutional deep neural networks and graph embedding techniques, our neural networks extract low-dimensional features from the weighted graphs and, subsequently, learn the influence of these low-dimensional features on the resultant stored elastic energy functionals and plasticity models.

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第18257号 / 工博第3849号 / 新制||工||1590(附属図書館) / 31115 / 京都大学大学院工学研究科都市社会工学専攻 / (主査)教授 松岡 俊文, 教授 清野 純史, 教授 小池 克明 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第19720号 / 工博第4175号 / 新制||工||1644(附属図書館) / 32756 / 京都大学大学院工学研究科電子工学専攻 / (主査)教授 川上 養一, 教授 田中 勝久, 准教授 掛谷 一弘 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

This dissertation investigates how the magnetic properties of strontium hexaferrite change upon the substitution of foreign atoms at the Fe sites. Strontium hexaferrite, SrFe12O19 is a commonly used hard magnetic material and is produced in large quantities (around 500,000 tons per year). For different applications of strontium hexaferrite, its magnetic properties can be tuned by a proper substitution of the foreign atoms. Experimental screening for a proper substitution is a cost-intensive and time-consuming process, whereas computationally it can be done more efficiently. We used the ‘density functional theory’ a first principles based method to study substituted strontium hexaferrite. The site occupancies of the substituted atoms were estimated by calculating the substitution energies of different configurations. The formation probabilities of configurations were used to calculate the magnetic properties of substituted strontium hexaferrite. In the first study, Al-substituted strontium hexaferrite, SrFe12-xAl x O19, with x = 0.5 and x = 1.0 were investigated. It was found that at the annealing temperature the nonmagnetic Al+3 ions preferentially replace Fe+3 ions from the 12k and 2a sites. We found that the magnetization decreases and the magnetic anisotropy field increases as the fraction, x of the Al atoms increases. In the second study, SrFe12-x Gax O19 and SrFe12-x Inx O19 with x = 0.5 and x = 1.0 were investigated. In the case of SrFe12-x Gax O19, the sites where Ga+3 ions prefer to enter are: 12k, 2a, and 4f1. For SrFe12-x Inx O19, In+3 ions most likely to occupy the 12k, 4f1, and 4f2 sites. In both cases the magnetization was found to decrease slightly as the fraction of substituted atom increases. The magnetic anisotropy field increased for SrFe12-x Gax O19, and decreased for SrFe12-x Inx O19 as the concentration of substituted atoms increased. In the third study, 23 elements (M) were screened for their possible substitution in strontium hexaferrite, SrFe12-x Mx O19 with x = 0.5. In each case the site preference of the substituted atom and the magnetic properties were calculated. We found that Bi, Ge, Sb, Sn, and Sc can effectively increase the magnetization, and Cr, P, Co, Al, Ga, and Ti can increase the anisotropy field when substituted into strontium hexaferrite.

Ferromagnetic (FM) thin-film heterostructures provide opportunities to investigate GHz magnetic dynamics and emerging magnetoelectric devices based on dynamic phenomena. An intriguing direction for these studies is the control of the flow of pure (chargeless) spin current flow in different magnetic systems. In this thesis, we focus on the excitation of pure spin currents using ferromagnetic resonance (FMR), also known as spin pumping, and their transport characteristics in magnetic heterostructures based on Ni₈₁Fe₁₉ (Permalloy, or Py) under a variety of circumstances. In Chapter 2, we present measurements of the anisotropy of the spin pumping effect in the Pt/Py/Pt system via variable-frequency, swept-field FMR. We find a very small anisotropy of enhanced Gilbert damping with sign opposite to a recent theory's prediction from the Rashba effect at the FM/Pt interface. In Chapter 3, we present an experimental and theoretical study of spin dynamics in the antiferromagnetically coupled Py/Ru/Py system. We show that, contrary to the behavior of the uniform mode in a saturated single-layer FM, the symmetric mode in unsaturated synthetic antiferromagnet (SAF) has approximately constant FMR linewidth as a function of frequency. This behavior can be explained mostly semiclassically by our model. In Chapter 4, we present an investigation of interfacial Gilbert damping due to the spin pumping effect in Py/W heterostructures with enriched α phase or β phase W. The spin mixing conductances (SMC) for W at interfaces with Py are found to be significantly lower than those for similar heavy metals such as Pd and Pt, but comparable to those for Ta, and independent of enrichment in the β phase. The experimental results also indicate that W, no matter of which phase, is a good spin sink in Py/W heterostructures. In Chapter 5, we describe explorations of the spin pumping effect in antiferromagnetic insulator (AFI)-based heterostructures using variable-temperature, variable-frequency FMR. We find a spin-pumping-induced damping enhancement for Py/Cu/CoO, Py/Cu/CoO/Cu/Pt and Py/Cu/NiO/Cu/Pt. Broad peaks have been observed in FMR linewidth difference as a function of temperature for Py/Cu/NiO, normalized to the linewidth of the reference Py sample. Our results indicate that some effects previously attributed to spin current flow are better described by a defect-related mechanism. Chapter 6 summarizes the various findings of spin-pumping effects in ferromagnetic thin film heterostructures and possible future work.

Charles University Faculty of Pharmacy in Hradec Králové Department of Pharmacology and Toxicology Student: Hana Danková Supervisors: Prof. Ago Rinken, PhD. MSc. Tõnis Laasfeld PharmDr. Ivan Vokřál, PhD. Title of diploma thesis: Characetrization of ligand binding to M1 muscarinic receptor using fluorescence anisotropy method Muscarinic acetylcholine receptors (mAChRs), members of the superfamily of G-protein coupled receptors (GPCRs), regulate vital physiological processes and are important targets in drug research. Five different subtypes (M1 - M5) have been identified. M1 mAChR is mainly distributed in the central nervous system and is linked to pathophysiology of neurodegenerative diseases. In recent years, fluorescent methods have been frequently used in studies of ligand binding to receptors. The fluorescence anisotropy (FA) is a homogenous assay to characterize ligand binding to receptors. In this work, we have evaluated the FA method with fluorescent ligand MK342 binding to M1 mAChRs expressed on budded baculovirus (BBV) particles. The fluorescence ligand was binding with the high affinity (4,4 nM) to M1 receptor in constructed BBV preparation. The apparent binding affinities (pKi) of eleven classical and three bitopic muscarinic ligands were screened and compared to previously published...

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