On optimal message vector length for block single parallel partition algorithm in a three-dimensional ADI solver

It has long been recognized that many direct parallel tridiagonal solvers are only efficient for solving a single tridiagonal equation of large sizes, and they become inefficient when naively used in a three-dimensional ADI solver. In order to improve the parallel efficiency of an ADI solver using a direct parallel solver, we implement the single parallel partition (SPP) algorithm in conjunction with message vectorization, which aggregates several communication messages into one to reduce the communication costs. The measured performances show that the longest allowable message vector length (MVL) is not necessarily the best choice. To understand this observation and optimize the performance, we propose an improved model that takes the cache effect into consideration. The optimal MVL for achieving the best performance is shown to depend on number of processors and grid sizes. Similar dependence of the optimal MVL is also found for the popular block pipelined method.

High voltage cathodes for Na-ion batteries: Na3V2O2x(PO4)2F3-2x system

254 p : il, graf. col.

Transceiver designs and analysis for LTI, LTV and broadcast channels - new matrix decompositions and majorization theory

Signal processing techniques play important roles in the design of digital communication systems. These include information manipulation, transmitter signal processing, channel estimation, channel equalization and receiver signal processing. By interacting with communication theory and system implementing technologies, signal processing specialists develop efficient schemes for various communication problems by wisely exploiting various mathematical tools such as analysis, probability theory, matrix theory, optimization theory, and many others. In recent years, researchers realized that multiple-input multiple-output (MIMO) channel models are applicable to a wide range of different physical communications channels. Using the elegant matrix-vector notations, many MIMO transceiver (including the precoder and equalizer) design problems can be solved by matrix and optimization theory. Furthermore, the researchers showed that the majorization theory and matrix decompositions, such as singular value decomposition (SVD), geometric mean decomposition (GMD) and generalized triangular decomposition (GTD), provide unified frameworks for solving many of the point-to-point MIMO transceiver design problems.

In this thesis, we consider the transceiver design problems for linear time invariant (LTI) flat MIMO channels, linear time-varying narrowband MIMO channels, flat MIMO broadcast channels, and doubly selective scalar channels. Additionally, the channel estimation problem is also considered. The main contributions of this dissertation are the development of new matrix decompositions, and the uses of the matrix decompositions and majorization theory toward the practical transmit-receive scheme designs for transceiver optimization problems. Elegant solutions are obtained, novel transceiver structures are developed, ingenious algorithms are proposed, and performance analyses are derived.

The first part of the thesis focuses on transceiver design with LTI flat MIMO channels. We propose a novel matrix decomposition which decomposes a complex matrix as a product of several sets of semi-unitary matrices and upper triangular matrices in an iterative manner. The complexity of the new decomposition, generalized geometric mean decomposition (GGMD), is always less than or equal to that of geometric mean decomposition (GMD). The optimal GGMD parameters which yield the minimal complexity are derived. Based on the channel state information (CSI) at both the transmitter (CSIT) and receiver (CSIR), GGMD is used to design a butterfly structured decision feedback equalizer (DFE) MIMO transceiver which achieves the minimum average mean square error (MSE) under the total transmit power constraint. A novel iterative receiving detection algorithm for the specific receiver is also proposed. For the application to cyclic prefix (CP) systems in which the SVD of the equivalent channel matrix can be easily computed, the proposed GGMD transceiver has K/log_2(K) times complexity advantage over the GMD transceiver, where K is the number of data symbols per data block and is a power of 2. The performance analysis shows that the GGMD DFE transceiver can convert a MIMO channel into a set of parallel subchannels with the same bias and signal to interference plus noise ratios (SINRs). Hence, the average bit rate error (BER) is automatically minimized without the need for bit allocation. Moreover, the proposed transceiver can achieve the channel capacity simply by applying independent scalar Gaussian codes of the same rate at subchannels.

In the second part of the thesis, we focus on MIMO transceiver design for slowly time-varying MIMO channels with zero-forcing or MMSE criterion. Even though the GGMD/GMD DFE transceivers work for slowly time-varying MIMO channels by exploiting the instantaneous CSI at both ends, their performance is by no means optimal since the temporal diversity of the time-varying channels is not exploited. Based on the GTD, we develop space-time GTD (ST-GTD) for the decomposition of linear time-varying flat MIMO channels. Under the assumption that CSIT, CSIR and channel prediction are available, by using the proposed ST-GTD, we develop space-time geometric mean decomposition (ST-GMD) DFE transceivers under the zero-forcing or MMSE criterion. Under perfect channel prediction, the new system minimizes both the average MSE at the detector in each space-time (ST) block (which consists of several coherence blocks), and the average per ST-block BER in the moderate high SNR region. Moreover, the ST-GMD DFE transceiver designed under an MMSE criterion maximizes Gaussian mutual information over the equivalent channel seen by each ST-block. In general, the newly proposed transceivers perform better than the GGMD-based systems since the super-imposed temporal precoder is able to exploit the temporal diversity of time-varying channels. For practical applications, a novel ST-GTD based system which does not require channel prediction but shares the same asymptotic BER performance with the ST-GMD DFE transceiver is also proposed.

The third part of the thesis considers two quality of service (QoS) transceiver design problems for flat MIMO broadcast channels. The first one is the power minimization problem (min-power) with a total bitrate constraint and per-stream BER constraints. The second problem is the rate maximization problem (max-rate) with a total transmit power constraint and per-stream BER constraints. Exploiting a particular class of joint triangularization (JT), we are able to jointly optimize the bit allocation and the broadcast DFE transceiver for the min-power and max-rate problems. The resulting optimal designs are called the minimum power JT broadcast DFE transceiver (MPJT) and maximum rate JT broadcast DFE transceiver (MRJT), respectively. In addition to the optimal designs, two suboptimal designs based on QR decomposition are proposed. They are realizable for arbitrary number of users.

Finally, we investigate the design of a discrete Fourier transform (DFT) modulated filterbank transceiver (DFT-FBT) with LTV scalar channels. For both cases with known LTV channels and unknown wide sense stationary uncorrelated scattering (WSSUS) statistical channels, we show how to optimize the transmitting and receiving prototypes of a DFT-FBT such that the SINR at the receiver is maximized. Also, a novel pilot-aided subspace channel estimation algorithm is proposed for the orthogonal frequency division multiplexing (OFDM) systems with quasi-stationary multi-path Rayleigh fading channels. Using the concept of a difference co-array, the new technique can construct M^2 co-pilots from M physical pilot tones with alternating pilot placement. Subspace methods, such as MUSIC and ESPRIT, can be used to estimate the multipath delays and the number of identifiable paths is up to O(M^2), theoretically. With the delay information, a MMSE estimator for frequency response is derived. It is shown through simulations that the proposed method outperforms the conventional subspace channel estimator when the number of multipaths is greater than or equal to the number of physical pilots minus one.

Algorithmic challenges in green data centers

With data centers being the supporting infrastructure for a wide range of IT services, their efficiency has become a big concern to operators, as well as to society, for both economic and environmental reasons. The goal of this thesis is to design energy-efficient algorithms that reduce energy cost while minimizing compromise to service. We focus on the algorithmic challenges at different levels of energy optimization across the data center stack. The algorithmic challenge at the device level is to improve the energy efficiency of a single computational device via techniques such as job scheduling and speed scaling. We analyze the common speed scaling algorithms in both the worst-case model and stochastic model to answer some fundamental issues in the design of speed scaling algorithms. The algorithmic challenge at the local data center level is to dynamically allocate resources (e.g., servers) and to dispatch the workload in a data center. We develop an online algorithm to make a data center more power-proportional by dynamically adapting the number of active servers. The algorithmic challenge at the global data center level is to dispatch the workload across multiple data centers, considering the geographical diversity of electricity price, availability of renewable energy, and network propagation delay. We propose algorithms to jointly optimize routing and provisioning in an online manner. Motivated by the above online decision problems, we move on to study a general class of online problem named "smoothed online convex optimization", which seeks to minimize the sum of a sequence of convex functions when "smooth" solutions are preferred. This model allows us to bridge different research communities and help us get a more fundamental understanding of general online decision problems.

Synthesis and biological activity of anticoagulant heparan sulfate glycopolymers

Heparin has been used as an anticoagulant drug for more than 70 years. The global distribution of contaminated heparin in 2007, which resulted in adverse clinical effects and over 100 deaths, emphasizes the necessity for safer alternatives to animal-sourced heparin. The structural complexity and heterogeneity of animal-sourced heparin not only impedes safe access to these biologically active molecules, but also hinders investigations on the significance of structural constituents at a molecular level. Efficient methods for preparing new synthetic heparins with targeted biological activity are necessary not only to ensure clinical safety, but to optimize derivative design to minimize potential side effects. Low molecular weight heparins have become a reliable alternative to heparin, due to their predictable dosages, long half-lives, and reduced side effects. However, heparin oligosaccharide synthesis is a challenging endeavor due to the necessity for complex protecting group manipulation and stereoselective glycosidic linkage chemistry, which often result in lengthy synthetic routes and low yields. Recently, chemoenzymatic syntheses have produced targeted ultralow molecular weight heparins with high-efficiency, but continue to be restricted by the substrate specificities of enzymes.

To address the need for access to homogeneous, complex glycosaminoglycan structures, we have synthesized novel heparan sulfate glycopolymers with well-defined carbohydrate structures and tunable chain length through ring-opening metathesis polymerization chemistry. These polymers recapitulate the key features of anticoagulant heparan sulfate by displaying the sulfation pattern responsible for heparin’s anticoagulant activity. The use of polymerization chemistry greatly simplifies the synthesis of complex glycosaminoglycan structures, providing a facile method to generate homogeneous macromolecules with tunable biological and chemical properties. Through the use of in vitro chromogenic substrate assays and ex vivo clotting assays, we found that the HS glycopolymers exhibited anticoagulant activity in a sulfation pattern and length-dependent manner. Compared to heparin standards, our short polymers did not display any activity. However, our longer polymers were able to incorporate in vitro and ex vivo characteristics of both low-molecular-weight heparin derivatives and heparin, displaying hybrid anticoagulant properties. These studies emphasize the significance of sulfation pattern specificity in specific carbohydrate-protein interactions, and demonstrate the effectiveness of multivalent molecules in recapitulating the activity of natural polysaccharides.

Optimizing the benefits from Nigerian small and medium size reservoirs through cooperative management approach

The paper traces the different management practices adopted for Nigerian inland water bodies from the Colonial era to independence. It observes that the full potentials of these waters have never been realized over the years due to the absence of an effective management. The replacement of the traditional fisheries management by the centralized top-down approach by government after independence has not helped matters. Lately, the cooperative/community-based management approach has taken the centre stage worldwide. This has been identified to offer the most viable and equitable option towards the attainment of an optimum utilization of the fisheries resource. The entire community sensing security of tenure and enjoying some of the benefits from access control will actively take responsibility and enforcement. The paper drew experiences from some water bodies in Bangladesh, Philippines, Benin Republic and Malawi showing sound management strategy that, if adopted for our small and medium size reservoirs and other water bodies, would help optimize on an sustainable manner the benefits from those water bodies

Structure, chemistry, and energetics of organic and inorganic adsorbates on Ga-rich GaAs and GaP(001) surfaces

The work described in this dissertation includes fundamental investigations into three surface processes, namely inorganic film growth, water-induced oxidation, and organic functionalization/passivation, on the GaP and GaAs(001) surfaces. The techniques used to carry out this work include scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. Atomic structure, electronic structure, reaction mechanisms, and energetics related to these surface processes are discussed at atomic or molecular levels.

First, we investigate epitaxial Zn₃P₂ films grown on the Ga-rich GaAs(001)(6×6) surface. The film growth mechanism, electronic properties, and atomic structure of the Zn₃P₂/GaAs(001) system are discussed based on experimental and theoretical observations. We discover that a P-rich amorphous layer covers the crystalline Zn3P2 film during and after growth. We also propose more accurate picture of the GaP interfacial layer between Zn₃P₂ and GaAs, based on the atomic structure, chemical bonding, band diagram, and P-replacement energetics, than was previously anticipated.

Second, DFT calculations are carried out in order to understand water-induced oxidation mechanisms on the Ga-rich GaP(001)(2×4) surface. Structural and energetic information of every step in the gaseous water-induced GaP oxidation reactions are elucidated at the atomic level in great detail. We explore all reasonable ground states involved in most of the possible adsorption and decomposition pathways. We also investigate structures and energies of the transition states in the first hydrogen dissociation of a water molecule on the (2×4) surface.

Finally, adsorption structures and thermal decomposition reactions of 1-propanethiol on the Ga-rich GaP(001)(2×4) surface are investigated using high resolution STM, XPS, and DFT simulations. We elucidate adsorption locations and their associated atomic structures of a single 1-propanethiol molecule on the (2×4) surface as a function of annealing temperature. DFT calculations are carried out to optimize ground state structures and search transition states. XPS is used to investigate variations of the chemical bonding nature and coverage of the adsorbate species.

Development of protein-catalyzed capture (PCC) agents with application to the specific targeting of the E17K Point mutation of Akt1

This thesis describes the expansion and improvement of the iterative in situ click chemistry OBOC peptide library screening technology. Previous work provided a proof-of-concept demonstration that this technique was advantageous for the production of protein-catalyzed capture (PCC) agents that could be used as drop-in replacements for antibodies in a variety of applications. Chapter 2 describes the technology development that was undertaken to optimize this screening process and make it readily available for a wide variety of targets. This optimization is what has allowed for the explosive growth of the PCC agent project over the past few years.

These technology improvements were applied to the discovery of PCC agents specific for single amino acid point mutations in proteins, which have many applications in cancer detection and treatment. Chapter 3 describes the use of a general all-chemical epitope-targeting strategy that can focus PCC agent development directly to a site of interest on a protein surface. This technique utilizes a chemically-synthesized chunk of the protein, called an epitope, substituted with a click handle in combination with the OBOC in situ click chemistry libraries in order to focus ligand development at a site of interest. Specifically, Chapter 3 discusses the use of this technique in developing a PCC agent specific for the E17K mutation of Akt1. Chapter 4 details the expansion of this ligand into a mutation-specific inhibitor, with applications in therapeutics.

Estudio de optimización para la implantación de procesos productivos con indicadores de sostenibilidad

[ES]Los constantes cambios tanto en la demanda como en la oferta y la competencia de mercado han incrementado el interés en la optimización de nuestros recursos. Son muchas las empresas que se ven sometidas a un continuo cambio tanto en el tipo de producto como en la cantidad a fabricar, para ello es necesario tener una distribución flexible y capaz de sobrevivir al paso del tiempo. El objetivo de este proyecto es obtener una lista de control mediante la que se pueda analizar la sostenibilidad de una implantación. La lista está formada por 23 indicadores mediante los cuales se logra simplificar y reflejar los aspectos más relevantes de una implantación, permitiendo la obtención de información sobre los puntos débiles y fuertes de la distribución. A través de la evaluación de los resultados, se pueden examinar distintas opciones para reducir los problemas y optimizar el proceso. Además, con el objeto de verificar la fiabilidad del planteamiento se incluye un ejemplo de aplicación sobre una implantación real y su respectivo análisis.

Pick and Place Aplikazioaren Garapena ABBko IRB120 Errobotarekin

[ES]El origen de este proyecto se encuentra dentro de la línea de investigación del equipo CompMech del Departamento de Ingeniería Mecánica de la Escuela, el cual financia tanto la inversión como el mantenimiento del prototipo utilizado en este proyecto. Partiendo de esta base, el objetivo principal de esta línea de estudio es profundizar en el control del robot para poder después llegar a desarrollar una aplicación práctica. Para lograr este objetivo se trabajará con el software RobotStudio, mediante el cual se llevarán a cabo diferentes tareas tales como la generación de trayectorias, optimización de las mismas y la implementación de aplicaciones prácticas. En este trabajo se dan los primeros pasos hacia el control del robot, siendo una base de partida para estudios más complejos y profundos. De modo que el objetivo principal es dar los primeros pasos en el campo de estudio de la robótica, para proporcionar una base sólida y útil que sea válida para el desarrollo de posteriores aplicaciones prácticas más complejas.

Análisis del proceso de Friction Drilling: Análisis de la calidad de la junta atornillada

[ES]En el presente trabajo, se pretende optimizar la unión atornillada de chapas de dos materiales disimilares (acero y aluminio) mediante un proceso no convencional, el taladrado por fricción. Dicho proceso está orientado a la calderería fina, sector en el cual tiene gran número de aplicaciones. Se comenzará con una serie de ensayos iníciales y se procederá a realizar pruebas sistemáticas. Se realizarán mediciones de temperaturas, momentos torsores y fuerzas, y se analizaran las tolerancias dimensionales generadas por el proceso para la elección de los parámetros óptimos. El documento se centrará en analizar de forma teórica el comportamiento mecánico de la unión y de los ensayos de tracción correspondientes. Esto servirá para realizar los futuros ensayos de calidad y posteriormente comparar los resultados con los de las uniones convencionales.

Lehiaketako motorraren txasisaren optimizazio erresistentea

[EU]Lan honetan lehiaketako motorraren txasisaren optimizazio erresistentea egin nahi da. Txasisaren hasierako diseinutik abiatuz, diseinua optimizatuko da zona konkretu batean, bertan eragina duten indarrak eutsi ditzan ahalik eta pisu gutxienarekin. Lana egin ahal izateko, Motostudent txapelketatik lortu diren datuak erabiliko dira, honenbestez, erabiliko diren datuak errealak izango dira eta beraz baita emaitzak ere. Diseinua eta bere analisi estatiko egiteko erabiliko den softwarea, Creo 2.0 izango da.

Guía de diseño de un edificio de bajo consumo energético

[ES]Comparativa de las alternativas disponibles para la construcción de un edificio, con el objetivo de optimizar el diseño disminuyendo las pérdidas de energía. De los distintos tipos de construcciones posibles, la investigación se centra en una vivienda unifamiliar. El trabajo aborda, por una parte, el diseño de la envolvente de la vivienda con las técnicas eficientes y los materiales mejor ajustados a la zona de edificación; y por otra, la selección del sistema de calefacción y de agua caliente sanitaria (ACS). Se opta por bloques de tierra comprimida, aislante de celulosa y enlucido de arcilla para las paredes, así como por una caldera de pellets para el sistema de calefacción y una instalación de energía solar térmica para el ACS.

Mapeamento geológico em áreas graníticas intemperizadas em regiões montanhosas tropicais: o granito Conselheiro Paulino (Faixa Ribeira)

Neste trabalho foram integrados o mapeamento geológico de campo, os dados regionais aerogeofísicos e as imagens orbitais de alta resolução (1 m) para fornecer um mapa geológico detalhado do Pluton granítico Conselheiro Paulino, na Faixa Ribeira, Brasil. A área estudada possui poucos afloramentos e outras questões que dificultam o mapeamento geológico tradicional. Escorregamentos de terra são comuns na porção mais intemperizada do granito. A utilização de imagens orbitais de alta resolução permitiu a identificação dos poucos afloramentos existentes, além de outros elementos, como ravinas, planícies aluviais, eluviões, vegetação e estradas. Isso foi importante para orientar e otimizar as pesquisas de campo. A disponibilidade de dados aerogeofísicos magnéticos e radiométricos corroboraram nos trabalhos de campo e na petrografia do Pluton granítico Conselheiro Paulino. O pluton pode ser dividido em duas facies distintas, sendo uma de composição microgranítica e outra de composição microgranodiorítica

Nanophotonic Light Trapping In Thin Solar Cells

Over the last several decades there have been significant advances in the study and understanding of light behavior in nanoscale geometries. Entire fields such as those based on photonic crystals, plasmonics and metamaterials have been developed, accelerating the growth of knowledge related to nanoscale light manipulation. Coupled with recent interest in cheap, reliable renewable energy, a new field has blossomed, that of nanophotonic solar cells.

In this thesis, we examine important properties of thin-film solar cells from a nanophotonics perspective. We identify key differences between nanophotonic devices and traditional, thick solar cells. We propose a new way of understanding and describing limits to light trapping and show that certain nanophotonic solar cell designs can have light trapping limits above the so called ray-optic or ergodic limit. We propose that a necessary requisite to exceed the traditional light trapping limit is that the active region of the solar cell must possess a local density of optical states (LDOS) higher than that of the corresponding, bulk material. Additionally, we show that in addition to having an increased density of states, the absorber must have an appropriate incoupling mechanism to transfer light from free space into the optical modes of the device. We outline a portfolio of new solar cell designs that have potential to exceed the traditional light trapping limit and numerically validate our predictions for select cases.

We emphasize the importance of thinking about light trapping in terms of maximizing the optical modes of the device and efficiently coupling light into them from free space. To further explore these two concepts, we optimize patterns of superlattices of air holes in thin slabs of Si and show that by adding a roughened incoupling layer the total absorbed current can be increased synergistically. We suggest that the addition of a random scattering surface to a periodic patterning can increase incoupling by lifting the constraint of selective mode occupation associated with periodic systems.

Lastly, through experiment and simulation, we investigate a potential high efficiency solar cell architecture that can be improved with the nanophotonic light trapping concepts described in this thesis. Optically thin GaAs solar cells are prepared by the epitaxial liftoff process by removal from their growth substrate and addition of a metallic back reflector. A process of depositing large area nano patterns on the surface of the cells is developed using nano imprint lithography and implemented on the thin GaAs cells.