Aluminium sheet production is a multi-stage process in which altering processing conditions can drastically alter the size and type of second phase particles found in the final product. The properties of these second phase particles also affects deformation and annealing processes, meaning that any attempt to create a through process model would require the ability to predict both how the particles would develop in the material, and how these particles then affect the alloy moving forward. This project first focuses on gaining insight into how the particles in a model aluminium alloy change during homogenisation heat treatment and hot rolling. This has been accomplished by utilising serial block face scanning electron microscopy (SBF-SEM), a technique which allows the capture of 3D data sets at sub micron resolutions. This has allowed the populations of primary (constituent) and secondary (dispersoid) particles to be analysed at different stages of sheet production, and thus allowing the effects of homogenisation and hot rolling on particle populations to be quantified. To discover how the particles would go on to affect further processing, digital image correlation has been used to examine the localised strain in the alloy near to a selection of particle configurations. This highlighted the heterogeneity in slip behaviour within the alloy and illustrated that plumes of rotation develop near to non deformable regions. Rotation plumes have previously been modelled using a crystal plasticity model, and so further work is also presented expanding upon this model to simulate a variety of particle configurations. This has shown that in the case of single particles, local deformation is dependent on both the aspect ratio of the particle and how it is aligned to the active slip system. With the incorporation of a second particle, the interparticle spacing must also be considered.

We investigate coarse-grained models of suspended self-thermophoretic microswimmers. Upon heating, the Janus spheres, with hemispheres made of different materials, induce a heterogeneous local solvent temperature that causes the self-phoretic particle propulsion. Starting from molecular dynamics simulations that schematically resolve the molecular composition of the solvent and the microswimmer, we verify the coarse-grained description of the fluid in terms of a local molecular temperature field, and its role for the particle’s thermophoretic self-propulsion and hot Brownian motion. The latter is governed by effective nonequilibrium temperatures, which are measured from simulations by confining the particle position and orientation. They are theoretically shown to remain relevant for any further spatial coarse-graining towards a hydrodynamic description of the entire suspension as a homogeneous complex fluid.

The importance of coronary microcirculatory perfusion is highlighted by the severe impact of microvascular diseases such as diabetes and hypertension on heart function. Recently, highly-detailed three-dimensional (3D) data on ex vivo coronary microvascular structure have become available. However, hemodynamic information in individual myocardial capillaries cannot yet be obtained using current in vivo imaging techniques. In this thesis, a novel data-driven modelling framework is developed to predict tissue-scale flow properties from discrete anatomical data, which can in future be used to aid interpretation of coarse-scale perfusion imaging data in healthy and diseased states. Mathematical models are parametrised by the 3D anatomical data set of Lee (2009) from the rat myocardium, and tested using flow measurements in two-dimensional rat mesentery networks. Firstly, algorithmic and statistical tools are developed to separate branching arterioles and venules from mesh-like capillaries, and then to extract geometrical properties of the 3D capillary network. The multi-scale asymptotic homogenisation approach of Shipley and Chapman (2010) is adapted to derive a continuum model of coronary capillary fluid transport incorporating a non-Newtonian viscosity term. Tissue-scale flow is captured by Darcy's Law whose coefficient, the permeability tensor, transmits the volume-averaged capillary-scale flow variations to the tissue-scale equation. This anisotropic permeability tensor is explicitly calculated by solving the capillary-scale fluid mechanics problem on synthetic, stochastically-generated periodic networks parametrised by the geometrical data statistics, and a thorough sensitivity analysis is conducted. Permeability variations across the myocardium are computed by parametrising synthetic networks with transmurally-dependent data statistics, enabling the hypothesis that subendocardial permeability is much higher in diastole to compensate for severely-reduced systolic blood flow to be tested. The continuum Darcy flow model is parametrised by purely structural information to provide tissue-scale perfusion metrics, with the hypothesis that this model is less sensitive and more reliably parametrised than an alternative, estimated discrete network flow solution.

Les travaux présentés dans cette thèse s'inscrivent dans le cadre de l'analyse et la modélisation de la distribution du champ magnétique dans les machines électriques à circuit magnétique feuilleté avec des tôles à grains orientés. L'anisotropie des tôles magnétiques des transformateurs induit des phénomènes 3D complexes au niveau des joints magnétiques où les tôles se chevauchent. Concernant l'augmentation de l'efficacité énergétique des machines tournantes, de nouvelles structures à base de tôles à grains orientés font leur apparition. Néanmoins, simuler finement en 3D un paquet de tôles minces recouvertes d'un isolant de quelques microns d'épaisseur conduit à des temps de calculs très importants.Dans cette optique, nous présentons une méthode d'homogénéisation dont le but est de définir les caractéristiques magnétiques équivalentes d'un empilement quelconque de tôles et d'entrefers. Sa formulation est basée sur la minimisation de l'énergie et la conservation du flux magnétique. Les résultats de cette méthode appliquée à un joint magnétique de transformateur à joints step-lap sont confrontés à des mesures expérimentales et à un modèle élément fini 3D. Ce dernier requiert de connaître les caractéristiques magnétiques des tôles dans les directions de laminage, transverse et normale. La détermination de la perméabilité des tôles dans la direction normale est problématique et constitue un point original de notre étude. Deux méthodes, analytique et numérique, s'appuient sur les mesuresd'un banc de caractérisation en régime statique pour déterminer cette perméabilité normale. / This thesis focuses on the analysis and the modeling the magnetic flux distribution in electrical machines with anisotropic laminated magnetic circuit. The anisotropy of magnetic sheets in transformers induces complex 3D phenomena in step-lap magnetic joints where the sheets are overlapped. Moreover, in order to increase the energy efficiency of rotating machines, new structures based on grain-oriented electrical steel are developed.However, an accurate 3D simulation of a laminated core with thin sheets and insulation of a few microns leads to very large computation time. In this context, we present a homogenization method, which purpose is to define the equivalent magnetic characteristics of any laminated core made of sheets and air gaps. Its formulation is based on the energy minimization and the magnetic flux conservation. The results of this method applied to a step-lap magnetic joint are compared with experimental measurements and a 3D finite element model. The latter requires to know the magnetic characteristics of the sheets in the rolling, transverse and normal directions. The determination of the sheets permeability in the normal direction is problematic and it constitutes an original point of our study.Two methods, analytical and numerical, based on measurements obtained with a static characterization bench makes possible the determination of the normale permeability.

This thesis deals with processing of nanocellulose originating from pulps, with focus on mechanical pulp fibres and fines fractions. The nanocellulose materials produced within this research project were tested for different purposes ranging from strength additives in paper and paperboard products, via composite films to foam materials. TAPPI (Technical Association of Pulp &amp; Paper Industry) has recently suggested a standard terminology and nomenclature for nanocellulose materials (see paper I). In spite of that we have decided to use the terms nano-ligno-cellulose (NLC), microfibrillated cellulose (MFC), nanofibrillated cellulose (NFC) and nanocellulose (NC) in this thesis . It is well-known that mainly chemical pulps are used as starting material in nanocellulose production. However, chemical pulps as bleached sulphite and bleached kraft are quite expensive. One more cost-effective alternative can be to use fibres or fines fractions from thermo-mechanical pulp (TMP) and chemi-thermomechanical pulp (CTMP).   In paper II-IV, fractionation has been used to obtain fines fractions that can easily be mechanically treated using homogenisation. The idea with this study was to investigate the possibility to use fractions of low quality materials from fines fractions for the production of nanocellulose. The integration of a nanocellulose unit process in a high-yield pulping production line has a potential to become a future way to improve the quality level of traditional products such as paper and paperboard grades.   Paper III describes how to utilise the crill measurement technique as a tool for qualitative estimation of the amount of micro- and nano-material produced in a certain process. The crill values of TMP- and CTMP-based nanocelluloses were measured as a function of the homogenisation time. Results showed that the crill values of both TMP-NLC and CTMP-NLC correlated with the homogenisation time. In Paper V pretreating methods, hydrogen peroxide and TEMPO are evaluated. Crill measurement showed that hydrogen peroxide pretreatment (1% and 4%) and mechanical treatment time did not improve fibrillation efficiency as much as expected. However, for TEMPO-oxidised nanocelluloses, the crill value significantly increased with both the TEMPO chemical treatment and mechanical treatment time. In paper V-VII TEMPO-mediated oxidation systems (TEMPO/NaBr/NaClO) are applied to these fibres (CTMP and Sulphite pulp) in order to swell them so that it becomes easy to disrupt the fibres into nanofibres with mechanical treatment.   The demand for paperboard and other packaging materials are steadily increasing. Paper strength properties are crucial when the paperboard is to withstand high load. A solution that are investigated in papers IV and VI, is to use MFC as an alternative paper strength additive in papermaking. However, if one wish to target extremely higher strength improvement results, particularly for packaging paperboards, then it would be fair to use MFC or cationic starch (CS). In paper VI CS or TEMPO-based MFC was used to improve the strength properties of CTMP-based paperboard products. Results here indicate significant strength improvement with the use of different levels of CS (i.e., 20 and 10 kg t–1) and 5% MFC. The strengthening impact of 5% MFC was approximately equal to that of 10 kg t–1 of CS.   In paper VII, NFC and nanographite (NG) was used when producing composite films with enhanced sheet-resistance and mechanical properties. The films produced being quite stable, flexible, and bendable. Realising this concept of NFC-NG composite film would create new possibilities for technological advancement in the area of high-yield pulp technology.  Finally, in paper VIII, a new processing method for nanocellulose is introduced  where an organic acid (i.e., formic acid) is used. This eco-friendly approach has shown to be successful, a nanocellulose with a uniform size distribution has been produced. / <p>Vid tidpunkten för disputationen var följande delarbeten opublicerade: delarbete 5 och 7 inskickade, delarbete 6 och 8 manuskript.</p><p>At the time of the doctoral defence the following papers were unpublished: paper 5 and 7 submitted, paper 6 and 8 manuscripts.</p>

L'objectif principal du travail réalisé au cours de la thèse consistera à proposer une démarche théorique rigoureuse visant à intégrer les éléments microstructuraux et les gradients de déformation dans une approche micromécanique. La thèse comportera deux volets : - Dans une première partie, on s'attachera à établir un cadre théorique rigoureux permettant d'intégrer les effets du gradient de la déformation et les longueurs caractéristiques de la microstructure sur le comportement effectif des matériaux composites - L'approche par développement asymptotique conduit à la résolution d'une succession problèmes d'élasticité tridimensionnelle posée sur une cellule élémentaire du milieu périodique. La résolution de ces problèmes d'élasticité, et par conséquent la détermination des propriétés effectives du composite, nécessite la mise en œuvre d'une méthode de résolution numérique. Dans cette seconde partie du travail, il s'agira de proposer une méthode de résolution basée sur la transformée de Fourier rapide (Méthode FFT) / The main objective of the thesis is to provide a rigorous theoretical approach to integrating the microstructural effects and deformation gradients in a micromechanical approach. The thesis has two components:- In the first part, we will focus on establishing a rigorous theoretical framework for integrating the effects of the deformation gradient and the characteristic lengths of the microstructure on the effective behavior of composite materials - The asymptotic expansion approach leads to the resolution of a series of three-dimensional elasticity problems posed on a unit cell of the periodic medium. Solving these problems of elasticity, and therefore the determination of the effective properties of the composite, requires the implementation of a numerical method. In this second part of the work, it will propose a resolution method based on fast Fourier transform (FFT method)

Dans cette thèse, nous étudions un métamatériau inspiré de la paille de blé pour l'absorption parfaite du son. Une botte de paille estidéalisée comme un milieu poreux anisotrope, composé d’un arrangement périodique très concentré de tubes creux cylindriques. L’approche théorique de ce métamatériau repose sur l'homogénéisation asymptotique à deux échelles d'un réseau perméable de résonateursparfaitement rigides dont la physique est enrichi par des résonances internes. Les principales caractéristiques de ce milieu poreux sont lacompressibilité effective négative autour de la résonance du tube et la réduction drastique de la vitesse de propagation du son (slowsound) à très basse fréquence. Une configuration optimale est conçue, basée sur la condition de couplage critique, pour laquelle la fuited’énergie du système résonnant ouvert est parfaitement compensée par les pertes intrinsèques induites par les pertes viscothermiques.Des mesures en tube à impédance sont effectuées sur des échantillons fabriqués par impression additive pour valider les résultatsthéoriques. Nous montrons que ce métamatériau est un absorbeur sub-longueur d'onde capable d’une absorption parfaite à très bassefréquence et d'introduire une quasi-bande interdite autour de la résonance du tube. De plus, la nature anisotrope de ce matériau conduit àune absorption globalement élevée à basse fréquence et ce pour toutes les incidences. Cette étude offre la possibilité de concevoir unabsorbeur acoustique sélectif en angle et en fréquence. Pour conclure, les résultats de cette thèse montrent que la paille est un boncandidat pour une absorption acoustique parfaite. / Straw-inspired metamaterials for sound absorption are investigated in this Thesis. A straw stack is idealized as a highly concentratedresonant anisotropic porous medium constituted of a periodic arrangement of densely packed cylindrical hollow tubes. The approach tothis metamaterial relies on the two-scale asymptotic homogenization of a permeable array of perfectly rigid resonators, where the physicsis further enriched by tailoring inner resonances. The main features of such sound absorbing medium are the possibility for the effectivecompressibility to become negative around the tube resonance and the drastic reduction of the effective sound speed (slow sound) at verylow frequency in the system. Moreover, an optimal configuration for sound absorption is designed, based on the critical couplingcondition, in which the energy leakage out of the open resonant system is perfectly compensated by the intrinsic losses induced by thevisco-thermal losses both in the anisotropic matrix and in the resonators. Impedance tube measurements are performed on 3-D printedsamples with controlled parameters to validate the theoretical results. This metamaterial is a sub-wavelength absorber that can achievetotal absorption at a very low frequency and possesses a quasi-band-gap around the tube resonance. Furthermore, the anisotropic nature ofthe configuration gives rise to high absorption at low-frequency range for all incidences and diffuse field excitation. It paves the way tothe design of angular and frequency selective sound absorber. To conclude, the results of this Thesis show that straw is a good candidatefor perfect sound absorption.

The aim of this work is the development of mechanical models on a mesoscopic level for the analytical description of the material properties of textile reinforced concrete (TRC). For the modelling of the heterogeneous structure of TRC the concept of representative volume elements (RVE) is used. RVEs are representative for the mesoscopic structure. The overall material behaviour on the macroscopic level is obtained by means of homogenisation of the heterogeneous material behaviour on the mesoscopic level. Based on the micro mechanical solution of the elastic field of an ellipsoidal inclusion according to Eshelby a model for the determination of the material behaviour for multi-directional reinforced finegrained concrete is developed. An effective field approximation considers the interaction of the differentially orientated reinforcements in an averaged sense. Microcracks are included by additional strains in the representative volume element. The average interaction between the microcracks and the reinforcements is considered by an effective field approximation. As a criteria for the initiation of the macro cracking a critical microcrack density parameter is implemented in the mechanical model. The microcracks accumulate to macrocracks if the microcrack density parameter in the RVE exceeds this critical value. For the mechanical modelling of the bond behaviour between roving and matrix after macro cracking a multiple linear shear stress-slip relation is used. This shear stress-slip relation considers adhesion, damage and failure of the interface between roving and matrix. Hence experimentally measured pullout force-displacement curves can be simulated realistically. / Gegenstand dieser Arbeit ist die Entwicklung mechanischer Modelle auf der Mesoebene zur analytischen Beschreibung des makroskopischen Materialverhaltens von textilbewehrtem Feinbeton. Für die Modellierung der heterogenen Struktur wird das Konzept der repräsentativen Volumenelemente (RVE), die für die Mesostruktur des betrachteten Verbundwerkstoffes repräsentativ sind, verwendet. Der Übergang von dem heterogenen Materialverhalten auf der Mesoebene zum mittleren Materialverhalten auf der Makroebene erfolgt mittels Homogenisierung. Auf Basis der mikromechanischen Grundlösung für ellipsoidförmige Einschlüsse nach Eshelby wird ein Modell entwickelt, das die Ermittlung des Materialverhaltens von multidirektional bewehrtem Feinbeton ermöglicht. Durch die Anwendung einer Effektive-Feld-Theorie wird die gegenseitige Beeinflussung der unterschiedlich orientierten Bewehrungen in einem gemittelten Sinn betrachtet. Die ab einer bestimmten makroskopischen Beanspruchung entstehenden Mikrorisse berücksichtigt das mechanische Modell über einen durch die Mikrorisse hervorgerufenen zusätzlichen Verzerrungsanteil im RVE. Mittels der verwendeten Effektive-Feld-Theorie kann eine mittlere Beeinflussung zwischen den Mikrorissen und der Rovingbewehrung erfasst werden. Für den Übergang von der Mikrorissbildung zur Makrorissbildung wird für das mechanische Modell der Begriff einer maximalen Mikrorissdichte eingeführt. Überschreitet die Mikrorissdichte im RVE diesen maximalen Wert, vereinigen sich die Mikrorisse zu Makrorissen. Zur Beschreibung des mechanischen Verbundverhaltens zwischen Roving und Matrix beim Rovingauszug am Makroriss wird eine multilineare Schubspannungs-Schlupf-Beziehung verwendet, welche die Schädigung des Roving-Matrix-Verbundes bis hin zum vollständigen Versagen erfasst. Damit lassen sich experimentell ermittelte Kraft-Verformungskurven an Zugproben wirklichkeitsnah abbilden.

Die Arbeit befasst sich mit der effizienten Simulation des funktionellen Verhaltens von Piezoverbundmodulen als Aktor oder Sensor zur Schwingungsbeeinflussung mechanischer Strukturen. Ausgehend von einem FE-Modell werden über den Ansatz energetischer Äquivalenz die effektiven elektro-mechanischen Materialparameter ermittelt. Zur Berücksichtigung im Inneren der Einheitszelle liegender Elektroden werden die elektrischen Randbedingungen der Homogenisierungslastfälle angepasst. Die Homogenisierungslastfälle werden auch genutzt, um Phasenkonzentrationen für die Beanspruchungen der Verbundkomponenten zu ermitteln. Diese Phasenkonzentrationen werden eingesetzt, um aus dem effektiven Gesamtmodell die Beanspruchungen der Komponenten zu extrahieren. Zur dynamischen Modellbildung wird die Zustandsraumbeschreibung verwendet. Die Überführung einer piezo-mechanischen FE-Diskretisierung in ein Zustandsraummodell gelingt mit der Betrachtung der mechanischen Freiheitsgrade als Zustandsvariablen. Zur Abbildung der elektrischen Impedanz im Zustandsraum muss die elektrische Kapazitätsmatrix als Durchgangsmatrix einbezogen werden. Die Reduktion des Zustandsraums basiert auf der modalen Superposition. Die modale Transformationsbasis wird um Moden ergänzt, die die Verformung bei statischer elektrischer Erregung charakterisieren. Die Zustandsraumbeschreibung wird sowohl für eine Potential- als auch für eine Ladungserregung ausgeführt. Das Zustandsraummodell wird unter Verwendung von Filtermatrizen um Ausgangssignale für die mechanischen und elektrischen Beanspruchungsgrößen erweitert. Dies gestattet eine Kopplung der Zustandsraummodelle mit den Beanspruchungsanalysen. Die Anwendung der Berechnungsmethode wird am Beispiel der im SFB/TRR PT-PIESA entwickelten Piezo-Metall-Module demonstriert, die durch direkte Integration von piezokeramischen Basiselementen in Blechstrukturen gekennzeichnet sind. / This thesis deals with the efficient simulation of the functional behaviour of piezo composite modules for applications as actuators or sensors to influence vibrations of machine structures. Based on a FE-discretisation the effective electro-mechanical material parameters of the piezo composite modules are determined with an ansatz of energetic equivalence. To consider electrodes which are located inside the representative volume element the electrical boundary conditions of the load cases for homogenisation are adapted. The load cases for homogenisation are also used to determine the phase concentrations (or fluctuation fields) of stress/strain and electric field/electric displacement field in the composite constituents. These phase concentrations are required to extract stress and strain of the composite components based on the overall model with effective material parameters. For dynamical modelling a state space representation is used. The transformation of a FE-discretisation of the piezo-mechanical system into a state space model is possible by choosing the mechanical degree of freedom as state variables. For consideration of the electrical impedance in the state space model the electrical stiffness respectively capacitance matrix has to incorporate as feedthrough matrix. The dynamical model reduction of the state space model is based on modal superposition. For the correct reproduction of the electrical impedance the modal transformation basis has to be amended by deformation modes which represent the deformation behaviour due to static electrical excitation at the electrodes. The state space representation is built for potential and charge excitation. The state space model is enhanced by filter matrices to incorporate output signals for stress/strain and also for electric field/electric displacement field. This allows the coupling of the state space models with the stress analyses. The application of the simulation method is demonstrated using the example of the piezo-metal-modules developed in the CRC/TR PT-PIESA (German: SFB/TRR PT-PIESA). These piezo-metal-modules are characterised by direct integration of piezoceramic base elements in sheet metal structures.

<p>Abstract</p><p>The aim of the present study was to increase the understanding of how the cell surface properties affect the performance of unit operations used in primary protein purification. In particular, the purpose was to develop, set up and apply methods for studies of cell surface properties and cell interactions.</p><p>A method for microbial cell surface fingerprinting using surface plasmon resonance (SPR) is suggested. Four different <em>Escherichia coli </em>strains were used as model cells. Cell surface fingerprints were generated by registration of the interaction between the cells and four different surfaces, with different physical and chemical properties, when a cell suspension was flown over the surface. Significant differences in fingerprint pattern between some of the strains were observed. The physical properties of the cell surfaces were determined using microelectrophoresis, contact angle measurements and aqueous two-phase partitioning and were compared with the SPR fingerprints. The generated cell surface fingerprints and the physical property data were evaluated with multivariate data analysis that showed that the cells were separated into individual groups in a similar way using principal component analysis plots (PCA).</p><p>Studies of the behaviour of the model cells on stirred cell filtration and in an interaction test with different expanded bed adsorption (EBA) adsorbents were performed. It could be concluded that especially one of the strains behaved differently. Differences in the properties of the model cells were indicated by microelectrophoresis and aqueous two-phase partitioning which to some extent correlated with observed differences in behaviour during filtration and in an interaction test with EBA adsorbents.</p><p>The impact of high-pressure homogenisation of <em>E. coli </em>cell extract was examined, with a lab scale and a pilot scale technique. The DNA-fragmentation, visualised with agarose gel electrophoresis, and the resulting change in viscosity was analysed. A short homogenisation time resulted in increased viscosity of the process solution that correlated with increased concentration of released non-fragmented DNA. With longer homogenisation time the viscosity decreased with increasing degree of DNA-fragmentation.</p><p>The results show that strain dependant cell surface properties of<em> E. coli</em> may have an impact on several primary steps in downstream processing.</p>