A theoretical investigation into the ultimate strength in bending and torsion of plain and reinforced concrete members

Presented in this thesis are original theoretical solutions for the determination of the ultimate strength in bending and torsion for: a) Plain concrete members. (b) Concrete members reinforced with longitudinal steel only. (c) Concrete members reinforced with longitudinal and transverse steel at yield. (d) Concrete members reinforced with longitudinal and transverse steel, where partial yielding and non yielding occurs. The theories are compared with available experimental results and show reasonable agreement.

Theoretical investigation into methods of detecting pulmonary arteriovenous blood shunts

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Theoretical Investigation of Intra- and Inter-cellular Spatiotemporal Calcium Patterns in Microcirculation

Microcirculatory vessels are lined by endothelial cells (ECs) which are surrounded by a single or multiple layer of smooth muscle cells (SMCs). Spontaneous and agonist induced spatiotemporal calcium (Ca2+) events are generated in ECs and SMCs, and regulated by complex bi-directional signaling between the two layers which ultimately determines the vessel tone. The contractile state of microcirculatory vessels is an important factor in the determination of vascular resistance, blood flow and blood pressure. This dissertation presents theoretical insights into some of the important and currently unresolved phenomena in microvascular tone regulation. Compartmental and continuum models of isolated EC and SMC, coupled EC-SMC and a multi-cellular vessel segment with deterministic and stochastic descriptions of the cellular components were developed, and the intra- and inter-cellular spatiotemporal Ca2+ mobilization was examined. Coupled EC-SMC model simulations captured the experimentally observed localized subcellular EC Ca2+ events arising from the opening of EC transient receptor vanilloid 4 (TRPV4) channels and inositol triphosphate receptors (IP3Rs). These localized EC Ca2+ events result in endothelium-derived hyperpolarization (EDH) and Nitric Oxide (NO) production which transmit to the adjacent SMCs to ultimately result in vasodilation. The model examined the effect of heterogeneous distribution of cellular components and channel gating kinetics in determination of the amplitude and spread of the Ca2+ events. The simulations suggested the necessity of co-localization of certain cellular components for modulation of EDH and NO responses. Isolated EC and SMC models captured intracellular Ca2+ wave like activity and predicted the necessity of non-uniform distribution of cellular components for the generation of Ca2+ waves. The simulations also suggested the role of membrane potential dynamics in regulating Ca2+ wave velocity. The multi-cellular vessel segment model examined the underlying mechanisms for the intercellular synchronization of spontaneous oscillatory Ca2+ waves in individual SMC. From local subcellular events to integrated macro-scale behavior at the vessel level, the developed multi-scale models captured basic features of vascular Ca2+ signaling and provide insights for their physiological relevance. The models provide a theoretical framework for assisting investigations on the regulation of vascular tone in health and disease.

Theoretical investigation of intra- and inter-cellular spatiotemporal calcium patterns in microcirculation

Microcirculatory vessels are lined by endothelial cells (ECs) which are surrounded by a single or multiple layer of smooth muscle cells (SMCs). Spontaneous and agonist induced spatiotemporal calcium (Ca2+) events are generated in ECs and SMCs, and regulated by complex bi-directional signaling between the two layers which ultimately determines the vessel tone. The contractile state of microcirculatory vessels is an important factor in the determination of vascular resistance, blood flow and blood pressure. This dissertation presents theoretical insights into some of the important and currently unresolved phenomena in microvascular tone regulation. Compartmental and continuum models of isolated EC and SMC, coupled EC-SMC and a multi-cellular vessel segment with deterministic and stochastic descriptions of the cellular components were developed, and the intra- and inter-cellular spatiotemporal Ca2+ mobilization was examined.^ Coupled EC-SMC model simulations captured the experimentally observed localized subcellular EC Ca2+ events arising from the opening of EC transient receptor vanilloid 4 (TRPV4) channels and inositol triphosphate receptors (IP3Rs). These localized EC Ca2+ events result in endothelium-derived hyperpolarization (EDH) and Nitric Oxide (NO) production which transmit to the adjacent SMCs to ultimately result in vasodilation. The model examined the effect of heterogeneous distribution of cellular components and channel gating kinetics in determination of the amplitude and spread of the Ca2+ events. The simulations suggested the necessity of co-localization of certain cellular components for modulation of EDH and NO responses. Isolated EC and SMC models captured intracellular Ca2+ wave like activity and predicted the necessity of non-uniform distribution of cellular components for the generation of Ca2+ waves. The simulations also suggested the role of membrane potential dynamics in regulating Ca2+ wave velocity. The multi-cellular vessel segment model examined the underlying mechanisms for the intercellular synchronization of spontaneous oscillatory Ca2+ waves in individual SMC. ^ From local subcellular events to integrated macro-scale behavior at the vessel level, the developed multi-scale models captured basic features of vascular Ca2+ signaling and provide insights for their physiological relevance. The models provide a theoretical framework for assisting investigations on the regulation of vascular tone in health and disease.^

Investigation of extinction in unsteady flames in turbulent combustion by 2D-LIF of OH radials and flamelet analysis

An experimental and theoretical investigation of premixed turbulent combustion in an engine simulator is presented. The distribution of hydroxyl radicals formed in the combustion of propane/air mixtures was visualized by 2D-LIF and used to monitor the progress of the combustion process. For stoichiometric mixtures, images showed a continuous wrinkled flame front, while in lean (λ=1.5) mixtures, local flame extinction was observed as discontinuities in the reaction zone. A bright active reaction zone was still observed in flame inlets and closed concave structures. The effects of self-absorption and of collisional quenching on the fluorescence signal are considered and appear to have only a minor net influence on the shape and width of the flame front. The images are evaluated and interpreted in terms of the Lewis number effect and the laminar flamelet model. Analysis was performed by determining the contour lines of the images (specifically, the ratios of average maximum to equilibrium OH concentration) and comparing with corresponding ratios from unstrained flame simulations. The results show that although the degree of turbulence is not high enough for straining effects to be important, flamelet curvature does play a significant role in the combustion of lean mixtures; this is manifested by a mean effective flame velocity that is less than the laminar burning velocity. © 1991 Combustion Institute.

Theoretical Study on Inner Shell Electron Impact Excitation of Lithium

Cross sections for electron impact excitation of lithium from the ground state 1s(2)2s to the excited states 1s2s(2), 1s2p(2), 1s2snp (n = 2-5), 1s2sns (n = 3-5), 1s2pns (n = 3-5), and 1s2pnp (n = 3-5) are calculated by using a full relativistic distorted wave method. The latest experimental electron energy loss spectra for inner-shell electron excitations of lithium at a given incident electron energy of 2500 eV [Chin. Phys. Lett. 25 (2008) 3649] have been reproduced by the present theoretical investigation excellently. At the same time, the structures of electron energy loss spectra of lithium at low incident electron energy are also predicted theoretically, it is found that the electron energy loss spectra in the energy region of 55-57 eV show two-peak structures.

DFT and in situ EXAFS investigation of gold/ceria-zirconia low-temperature water gas shift catalysts: Identification of the nature of the active form of gold

A combined experimental and theoretical investigation of the nature of the active form of gold in oxide-supported gold catalysts for the water gas shift reaction has been performed. In situ extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) experiments have shown that in the fresh catalysts the gold is in the form of highly dispersed gold ions. However, under water gas shift reaction conditions, even at temperatures as low as 100 degrees C, the evidence from EXAFS and XANES is only 14 consistent with rapid, and essentially complete, reduction of the gold to form metallic clusters containing about 50 atoms. The presence of Au-Ce distances in the EXAFS spectra, and the fact that about 15% of the gold atoms can be reoxidized after exposure to air at 150 degrees C, is indicative of a close interaction between a fraction (ca. 15%) of the gold atoms and the oxide support. Density functional theory (DFT) calculations are entirely consistent with this model and suggest that an important aspect of the active and stable form of gold under water gas shift reaction conditions is the location of a partially oxidized gold (Audelta+) species at a cerium cation vacancy in the surface of the oxide support. It is found that even with a low loading gold catalysts (0.2%) the fraction of ionic gold under water gas shift conditions is below the limit of detection by XANES (<5%). It is concluded that under water gas shift reaction conditions the active form of gold comprises small metallic gold clusters in intimate contact with the oxide support.

Compilation of documents for the development of a state of art of the investigation of perdurability

A través del estudio y la investigación basados en bibliografía de diversas nacionalidades que data desde la década de los setenta hasta la actualidad, ha sido posible analizar la tendencia académica de las investigaciones acerca la Perdurabilidad. Esta recolección de estudios es una fuente de información para todos aquellos que deseen tener un entendimiento más profundo acerca de la teoría que sostiene el concepto de Perdurabilidad. A lo largo de esta investigación, el lector encontrará un conjunto de varios autores de distintas nacionalidades que abordaron el tema de la Perdurabilidad bajo alguna de sus concepciones (longevidad, resistencia, supervivencia); lo que permite tener una visión más amplia acerca de la importancia de ciertos estudios de acuerdo a su origen y contexto cultural. Es importante resaltar que esta investigación es netamente teórica con el propósito de aclarar el concepto de Perdurabilidad y facilitar futuras investigaciones acerca de este tema

Theoretical Analysis of Aggregation in Block-Copolymer Films: The Optical Signature

We focus this work on the theoretical investigation of the block-copolymer poly [oxyoctyleneoxy-(2,6-dimethoxy-1,4phenylene-1,2-ethinylene-phenanthrene-2,4diyl) named as LaPPS19, recently proposed for optoelectronic applications. We used for that a variety of methods, from molecular mechanics to quantum semiempirical techniques (AMI, ZINDO/S-CIS). Our results show that as expected isolated LaPPS19 chains present relevant electron localization over the phenanthrene group. We found, however, that LaPPS19 could assemble in a pi-stacked form, leading to impressive interchain interaction; the stacking induces electronic delocalization between neighbor chains and introduces new states below the phenanthrene-related absorption; these results allowed us to associate the red-shift of the absorption edge, seen in the experimental results, to spontaneous pi-stack aggregation of the chains. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 885-892, 2010

A theoretical analysis on electronic structure of the (110) surface of TiO2-SnO2 mixed oxide

Mixed oxide compounds, such as TiO2-SnO2 system are widely used as gas sensors and should also provide varistor properties modifying the TiO2 surface. Therefore, a theoretical investigation has been carried out characterizing the effect of SnO2 on TiO2 addition on the electronic structure by means of ab initio SCF-LCAO calculations using all electrons. In order to take into account the finite size of the cluster, we have used the point charge model for the (TiO2)(15) cluster to study the effect on electronic structure of doping the TiO2 (110) Surface. The contracted basis set for titanium (4322/42/3), oxygen (33/3) and tin (43333/4333/43) atoms were used. The charge distributions, dipole moments, and density of states of doping TiO2 and vacancy formation are reported and analysed. (C) 2003 Elsevier B.V. All rights reserved.

The Dialectics of Modernity - Recognizing Globalization. Studies on the Theoretical Perspectives of Globalization

The volume The Dialectics of Modernity - Recognizing Globalization. Studies on the Theoretical Perspectives of Globalization is the product of a work of that quarter of the century, which has been continuing, since 1989 up today, the true beginning of the globalization. Therefore, because that concept was not existing at that time, the work is not yet directed, in the first years, on the globalization itself. As it can be seen, this concept pushed through only in the second half of the nineties, when the concept could also be already statistically revealed in the world press. How a group of researchers from Hungary was enquirying during the nineties, according to partners of conversation at home and abroad, with whom one could talk about how the new world emerging with 1989 can actually be described, is a long story, the theory of which consists in the fact, that we apparently live in a world, where the most part of the people, even worse, even most of the intellectuals are hardly interested in how this one really looks like. On looking for partners, the circle of the authors of this volume was created. In Hungary, we quickly reached our limit (which much later did not prevent us from appearing, such as if we had always been living in the theoretically worked globalization). The French group around Jacques Poulain reacted the fastest way (and later around Francois de Bernard, with his particularly valuable homepage www.mondialisations.org), not much later the contact with the Russian colleagues around Alexandr Shumakov was created, in which Encyclopedia of the Globalization our contribution could already appear in 2003. On these traces, we came to the productive relationship with Leonid Grinin and Andrey Korotayev. Finally, we mention the Fürstenfeld's initiative, founded since 2009 with Melitta Becker's help in the framework of the Centre for the Interdisciplinary Research in this Austrian city. A relevant part of the author inside this book participated from the beginning in the work of the group. The individual contributions to this volume are linked together by a common interest in knowledge. This is the theoretical view of the phenomenon of the globalization. From the beginning, it was not further defined or limited to certain approaches, particularly an independent theory of the globalization was not intended. We started from the fact, that every legitimately revealed theoretical approach can contribute legitimately to a later theory of the globalization. In this way, the further contacts with Nico Stehr and the members of the Dresden group for the investigation of the security problems arose, mainly with Ernst Woit. Hegel defined the philosophy as the flight of the Owl of Minerva, which "begins its flight only with the falling twilight". Through the theoretical investigation of the globalization always becoming interdisciplinary, we wanted by no means to debate about this incomparable aphorism. We simply started from the conviction, that a new reality should not remain without any description.

Theoretical Performance Model and Initial Experimentation of a Baffled-Tube Ram Accelerator

Thesis (Master's)--University of Washington, 2016-08