Modelling disordered foams using the vertex ensemble

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Raman Studies of 2-Dimensional van der Waals Materials

Presented herein are results of optical studies with emphasis on the Raman response, providing significant contribution to the knowledge of the field. In Mox W(1−x) S2 , confirmation of the behaviour of the excitonic properties is made. Raman measurements performed in this system allow investigation with unprecedented resolution, highlighting deviations in the high frequency A1g optical phonon mode from theoretical predictions, and previous experimental studies. In the low frequency, data confirms the trends in the shear and breathing interlayer modes in alloys between WS2 and MoS2 are well described by the modification in the square density. Resonant excitation for [Mo] < 0.4, highlights new evidence for the understanding of the hitherto unexplained ‘Peak X’ resonant feature. Diverse indium-selenium compounds isolated by novel means are studied. The ULF Raman modes of PDMS exfoliated InSe are documented for the first time, demonstrating the ε-phase with ABA stacking, with flake of thickness N manifesting (N − 1) shear modes owing to resonant excitation of few layer samples. InSe flakes encapsulated in hexagonal boron nitride manifest different stacking orders to those of PDMS exfoliated InSe, and were found to have significant contamination, with crystalline degradation of the monolayer flake, and peaks corresponding N2 & O2 rotational modes present. In2Se3 films grown epitaxially on GaSe display substrate-selective polymorphism, where α-, β-, & γ- phases are identified, in addition to regions of InSe. Laser photo-annealing is shown to drive a phase change from the groundstate β → α phase, which is against the thermodynamic gradient. MoSe2/WS2 twisted hetero-bi-layer structures are studied, where shear modes showing a linear softening from AA′ stacking towards the AB at 60° indicating reduced interlayer coupling, as expected from the difference in interlayer spacing of AA′ and AB ordering. High frequency modes in the heterobilayer also demonstrate some sensitivity in the relative angle, and are analysed in detail

Multiscale Modelling of Malaria-Infected Red Blood Cells

Red blood cells (RBCs) are the type of human cells that are most accessible to biophysical multiscale modelling because they feature a regular molecular cell envelope organization and lack internal organelles. Extensive previous research on how their physical properties are shaped by the actin-spectrin network and other molecular constituents provides a good basis to understand the physical consequences of becoming infected by malaria parasites, which use RBCs to hide from the immune system. After invasion, the malaria parasite rebuilds the RBC-envelope, relying on the self-assembly of parasite proteins released into the cytoplasm. Optical tweezer experiments have shown that infected RBCs (iRBCs) become stiffer. Here, the underlying mechanisms are investigated by quantitative analysis of the flickering spectrum of iRBCs. Extending the membrane Hamiltonian by anchoring points, we find that the parasite stiffens the membrane mostly by introducing more connections between the lipid bilayer and the underlying cytoskeleton. To identify the exact points of attack in the RBC-cytoskeleton, a reaction-diffusion model is developed to investigate the dynamical equilibrium of the RBC-cytoskeleton, allowing us to simulate different scenarios of parasite protein self-assembly and to compare these results with experimental data. The parasite induces protrusions to make the iRBC adhesive, thus increasing residence time in the vasculature and avoiding clearance by the spleen. The number of new transmembrane receptors incorporated into the cell membrane is estimated by quantitative analysis of fluorescence and electron microscopy data. We develop a finite element model aiming to predict the effect of these changes on the movement of iRBCs in hydrodynamic flow. Finally, as an instructive contrast to RBC-mechanics, we investigate the spreading of tissue cells onto micropatterned substrates leading to a complete change in their actin cytoskeleton. A Cellular Potts Model is used to describe this highly dynamic situation. We find that due to its focus on geometrical aspects, it predicts reliably how a family of actin stress fibres is formed, which serves as memory of the spreading process

Symmetry in Applied Mathematics

Applied mathematics and symmetry work together as a powerful tool for problem reduction and solving. We are communicating applications in probability theory and statistics (A Test Detecting the Outliers for Continuous Distributions Based on the Cumulative Distribution Function of the Data Being Tested, The Asymmetric Alpha-Power Skew-t Distribution), fractals - geometry and alike (Khovanov Homology of Three-Strand Braid Links, Volume Preserving Maps Between p-Balls, Generation of Julia and Mandelbrot Sets via Fixed Points), supersymmetry - physics, nanostructures -chemistry, taxonomy - biology and alike (A Continuous Coordinate System for the Plane by Triangular Symmetry, One-Dimensional Optimal System for 2D Rotating Ideal Gas, Minimal Energy Configurations of Finite Molecular Arrays, Noether-Like Operators and First Integrals for Generalized Systems of Lane-Emden Equations), algorithms, programs and software analysis (Algorithm for Neutrosophic Soft Sets in Stochastic Multi-Criteria Group Decision Making Based on Prospect Theory, On a Reduced Cost Higher Order Traub-Steffensen-Like Method for Nonlinear Systems, On a Class of Optimal Fourth Order Multiple Root Solvers without Using Derivatives) to specific subjects (Facility Location Problem Approach for Distributed Drones, Parametric Jensen-Shannon Statistical Complexity and Its Applications on Full-Scale Compartment Fire Data). Diverse topics are thus combined to map out the mathematical core of practical problems

Vertical Gallium Nitride Power Devices: Fabrication and Characterisation

Efficient power conversion is essential to face the continuously increasing energy consumption of our society. GaN based vertical power field effect transistors provide excellent performance figures for power-conversion switches, due to their capability of handling high voltages and current densities with very low area consumption. This work focuses on a vertical trench gate metal oxide semiconductor field effect transistor (MOSFET) with conceptional advantages in a device fabrication preceded GaN epitaxy and enhancement mode characteristics. The functional layer stack comprises from the bottom an n+/n- drift/p body/n+ source GaN layer sequence. Special attention is paid to the Mg doping of the p-GaN body layer, which is a complex topic by itself. Hydrogen passivation of magnesium plays an essential role, since only the active (hydrogen-free) Mg concentration determines the threshold voltage of the MOSFET and the blocking capability of the body diode. Fabrication specific challenges of the concept are related to the complex integration, formation of ohmic contacts to the functional layers, the specific implementation and processing scheme of the gate trench module and the lateral edge termination. The maximum electric field, which was achieved in the pn- junction of the body diode of the MOSFET is estimated to be around 2.1 MV/cm. From double-sweep transfer measurements with relatively small hysteresis, steep subthreshold slope and a threshold voltage of 3 - 4 V a reasonably good Al2O3/GaN interface quality is indicated. In the conductive state a channel mobility of around 80 - 100 cm2/Vs is estimated. This obtained value is comparable to device with additional overgrowth of the channel. Further enhancement of the OFF-state and ON-state characteristics is expected for optimization of the device termination and the high-k/GaN interface of the vertical trench gate, respectively. From the obtained results and dependencies key figures of an area efficient and competitive device design with thick drift layer is extrapolated. Finally, an outlook is given and advancement possibilities as well as technological limits are discussed.:1 Motivation and boundary conditions 1.1 A comparison of competitive semiconductor materials 1.2 Vertical GaN device concepts 1.3 Target application for power switches 2 The vertical GaN MOSFET concept 2.1 Incomplete ionization of dopants 2.2 The pseudo-vertical approach 2.3 Considerations for the device OFF-state 2.3.1 The pn-junction in reverse operation 2.3.2 The gate trench MIS-structure in OFF-state 2.3.3 Dimensional constraints and field plates 2.4 Static ON-state and switching considerations 2.4.1 The pn-junction in forward operation 2.4.2 Resistance contributions 2.4.3 Device model and channel mobility 2.4.4 Threshold voltage and subthreshold slope 2.4.5 Interface and dielectric trap states in wide band semiconductors 2.4.6 The body bias effect 3 Fabrication and characterisation 3.1 Growth methods for GaN substrates and layers 3.2 Substrates and the desired starting material 3.2.1 Physical and micro-structural characterisation 3.2.2 Dislocations and impurities 3.3 Pseudo- and true-vertical MOSFET fabrication 3.3.1 Processing routes 3.3.2 Inductively-coupled plasma etching 3.3.3 Process flow modification 3.4 Electrical characterisation, structures and process control 3.4.1 Current voltage characterisation 3.4.2 C(V) measurements and charge carrier profiling 3.4.3 Cooperative characterisation structures 4 Properties of the functional layers 4.1 Morphology of the MOVPE grown layers 4.2 Hydrogen out-diffusion treatment 4.3 Morphology of the n+-source layer grown by MBE 4.4 N-type doping of the functional layers 4.5 P-type GaN by magnesium doping 4.6 Structural properties after the etching and gate module formation 4.7 Electrical layer characterization 4.7.1 Gate dielectric and interface evaluation 5 Pseudo- and true vertical device operation 5.1 Influences of the metal-line sheet resistance 5.2 Formation and characterisation of ohmic contacts 5.2.1 Ohmic contacts to n-type GaN 5.2.2 Ohmic contacts to p-GaN 5.3 The pn- body diode 5.4 MOSFET operation 5.4.1 ON-state and turn-ON operation 5.4.2 The body bias effect on the threshold voltage 5.4.3 Device OFF-state 6 Summary and conclusion 6.1 Device performance 6.2 Current limits of the vertical device technology 6.3 Possibilities for advancements Bibliography A Appendix A.1 Deduction: Forward diffusion current of the pn-diode A.2 Deduction: Operation regions in the EKV model Figures Tables Abbreviations Symbols Postamble and Acknowledgemen

Structural Influences on the Photochemistry and Photophysical Properties of p-Phenylene Ethynylenes: Aggregation Effects and Solvent Interactions

Compounds based on the p-phenylene ethynylene backbone with pendant charged groups, known as conjugated polyelectrolytes, have been of particular interest in recent years due to their solubility in water, sensing properties, and biocidal activity against bacteria, viruses, and fungi. A series of oligomers based on these polymers were synthesized (OPEs), and several interesting questions about their photophysical and biocidal properties were raised by earlier experimental observations, which are addressed by this dissertation. The study initially focuses on the influence of the backbone length and presence of carboxyester substituents on the photophysical properties of the OPEs. Next, the photochemistry of the OPEs is explored as the products and mechanisms are elucidated through isotopic studies with mass spectrometry, revealing that photo-protonation by water and addition of oxygen across the triple bond are the two dominant initial mechanisms of all major pathways in aqueous solution. Finally, the aggregation of OPEs with is studied in two systems: surfactants and model bacterial membranes. The placement of the ionic alkyl substituents played a dominant role in determining the outcome of molecular interactions and type of aggregates which resulted between OPEs and both systems. Biophysical simulations of the interactions between OPEs and these two systems provided mechanistic insight into the mechanism of bacterial membrane disruption and the attenuation of photodegradation observed with OPE-surfactant complexes. In addition to determining the OPEs could be protected from photolysis and the structural basis for aggregate type, surfactant complexation was used to form a biocidal complex from a non-biocidal anionic OPE. The work presented will be of great use for future developments in sensors, biocides, photo-resistant materials, and drug delivery applications

Next-generation single-photon sources using two-dimensional hexagonal boron nitride

With the second quantum revolution unfolding, the realization of optical quantum technologies will transform future information processing, communication, and sensing. One of the crucial building blocks of quantum information architectures is a single-photon source. Promising candidates for such quantum light sources are quantum dots, trapped ions, color centers in solid-state crystals, and sources based on heralded spontaneous parametric down-conversion. The recent discovery of optically active defects hosted by 2D materials has added yet another class to the solid-state quantum emitters. Stable quantum emitters have been reported in semiconducting transition metal dichalcogenides (TMDs) and in hexagonal boron nitride (hBN). Owing to the large band gap, the energy levels of defects in hBN are well isolated from the band edges. In contrast to TMDs, this allows for operation at room temperature and prevents non-radiative decay, resulting in a high quantum yield. Unlike NV centers in diamond and other solid-state quantum emitters in 3D systems, the 2D crystal lattice of hBN allows for an intrinsically ideal extraction efficiency. In this thesis, advances in developing this new type of emitter are described. In the first experiment, quantum emitters hosted by hBN are attached by van der Waals force to the core of multimode fibers. The system features a free space and fiber-coupled single-photon generation mode. The results can be generalized to waveguides and other on-chip photonic quantum information processing devices, thus providing a path toward integration with photonic networks. Next, the fabrication process, based on a microwave plasma etching technique, is substantially improved, achieving a narrow emission linewidth, high single-photon purity, and a significant reduction of the excited state lifetime. The defect formation probability is influenced by the plasma conditions, while the emitter brightness correlates with the annealing temperature. Due to their low size, weight and power requirements, the quantum emitters in hBN are promising candidates as light sources for long-distance satellite-based quantum communication. The next part of this thesis focuses on the feasibility of using these emitters as a light source for quantum key distribution. The necessary improvement in the photon quality is achieved by coupling an emitter with a microcavity in the Purcell regime. The device is characterized by a strong increase in spectral and single-photon purity and can be used for realistic quantum key distribution, thereby outperforming efficient state-of-the-art decoy state protocols. Moreover, the complete source is integrated on a 1U CubeSat, a picoclass satellite platform encapsulated within a cube of length 10cm. This makes the source among the smallest, fully self-contained, ready-to-operate single-photon sources in the world. The emitters are also space-qualified by exposure to ionizing radiation. After irradiation with gamma-rays, protons and electrons, the quantum emitters show negligible change in photophysics. The space certification study is also extended to other 2D materials, suggesting robust suitability for use of these nanomaterials for space instrumentation. Finally, since the nature of the single-photon emission is still debated and highly controversial, efforts are made to locate the defects with atomic precision. The positions at which the defects form correlate with the fabrication method. This allows one to engineer the emitters to be close to the surface, where high-resolution electron microscopy can be utilized to identify the chemical defect. The results so far prove that quantum emitters in hBN are well suited for quantum information applications and can also be integrated on satellite platforms. A device based around this technology would thus provide an excellent building block for a worldwide quantum internet, where metropolitan fiber networks are connected through satellite relay stations

Nano-estructuras tridimensionales funcionales (alúmina 3D y redes de nanohilos interconectados en las 3 direcciones del espacio)

Tesis inédita de la Universidad Complutense de Madrid, Facultad de Ciencias Físicas, leída el 09-03-2022This Thesis has been focused on the development of functional nanostructures for a variety of applications, from structural coloring to magnetic nanostructures with tailored properties and highly efficient thermoelectric metamaterials. In all cases, the fabrication of such nanostructures has been based on two processes: aluminum anodization and electrochemical growth. Both are chemical processes, which need no vacuum and that are well known at the industrial level. The results that are presented in this manuscript represent the state of the art of both techniques, which is well endorsed by the publications that have resulted from it.In brief, the main objective pursued in this Ph.D. Thesis has been to prove the versatility of a recent kind of alumina membranes, consisting of longitudinal pores that are transversely perforated by smaller pore channels, in the development of future nanotechnology applications. These 3D-Anodic alumina templates (3D AAO) have been studied by themselves, but also used as templates to grow different materials and tune their properties...Este trabajo de tesis se centra en el desarrollo de nanoestructuras funcionales interconectadas para diversas aplicaciones, desde la obtención de color estructural a la fabricación de metamateriales magnéticos con propiedades modificadas, así como metamateriales termoeléctricos de alta eficiencia. En todos estos casos, la fabricación de estas nanoestructuras se ha basado en dos procesos: anodización de aluminio y crecimiento electroquímico. Ambos son procesos químicos que no requieren de vacío y que son muy conocidos a nivel industrial. Los resultados que se presentan en este manuscrito muestran el estado del arte en ambas técnicas, lo que queda patente por las publicaciones científicas a las que este trabajo ha dado lugar. Brevemente, el objetivo principal de esta Tesis ha sido probar la versatilidad de un tipo de membranas de alúmina desarrolladas recientemente para el desarrollo de futuras aplicaciones nanotecnológicas. Estas membranas consisten en poros longitudinales que están unidos por poros transversales más pequeños que forman canales que los conectan. Estas membranas de alúmina tridimensionales (3D-AAO, del inglés 3D Anodic Aluminum Oxide) se han estudiado, por un lado, como plataformas para la generación de dispositivos en sí mismas, y, por otro lado, como plantillas para crecer en su estructura porosa distintos materiales y nanoestructurarlos, modificando de este modo sus propiedades...Fac. de Ciencias FísicasTRUEunpu

Regular Hierarchical Surface Models: A conceptual model of scale variation in a GIS and its application to hydrological geomorphometry

Environmental and geographical process models inevitably involve parameters that vary spatially. One example is hydrological modelling, where parameters derived from the shape of the ground such as flow direction and flow accumulation are used to describe the spatial complexity of drainage networks. One way of handling such parameters is by using a Digital Elevation Model (DEM), such modelling is the basis of the science of geomorphometry. A frequently ignored but inescapable challenge when modellers work with DEMs is the effect of scale and geometry on the model outputs. Many parameters vary with scale as much as they vary with position. Modelling variability with scale is necessary to simplify and generalise surfaces, and desirable to accurately reconcile model components that are measured at different scales. This thesis develops a surface model that is optimised to represent scale in environmental models. A Regular Hierarchical Surface Model (RHSM) is developed that employs a regular tessellation of space and scale that forms a self-similar regular hierarchy, and incorporates Level Of Detail (LOD) ideas from computer graphics. Following convention from systems science, the proposed model is described in its conceptual, mathematical, and computational forms. The RHSM development was informed by a categorisation of Geographical Information Science (GISc) surfaces within a cohesive framework of geometry, structure, interpolation, and data model. The positioning of the RHSM within this broader framework made it easier to adapt algorithms designed for other surface models to conform to the new model. The RHSM has an implicit data model that utilises a variation of Middleton and Sivaswamy (2001)’s intrinsically hierarchical Hexagonal Image Processing referencing system, which is here generalised for rectangular and triangular geometries. The RHSM provides a simple framework to form a pyramid of coarser values in a process characterised as a scaling function. In addition, variable density realisations of the hierarchical representation can be generated by defining an error value and decision rule to select the coarsest appropriate scale for a given region to satisfy the modeller’s intentions. The RHSM is assessed using adaptions of the geomorphometric algorithms flow direction and flow accumulation. The effects of scale and geometry on the anistropy and accuracy of model results are analysed on dispersive and concentrative cones, and Light Detection And Ranging (LiDAR) derived surfaces of the urban area of Dunedin, New Zealand. The RHSM modelling process revealed aspects of the algorithms not obvious within a single geometry, such as, the influence of node geometry on flow direction results, and a conceptual weakness of flow accumulation algorithms on dispersive surfaces that causes asymmetrical results. In addition, comparison of algorithm behaviour between geometries undermined the hypothesis that variance of cell cross section with direction is important for conversion of cell accumulations to point values. The ability to analyse algorithms for scale and geometry and adapt algorithms within a cohesive conceptual framework offers deeper insight into algorithm behaviour than previously achieved. The deconstruction of algorithms into geometry neutral forms and the application of scaling functions are important contributions to the understanding of spatial parameters within GISc