Browsing by Subject "Parallel computers"
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Item Adaptive finite element simulation of flow and transport applications on parallel computers(2007-05) Kirk, Benjamin Shelton, 1978-; Carey, Graham F.The field of molecular and atomic sensing has seen a vast growth over the last few decades. Yet many advances still remain to be made. This dissertation takes an in depth look at the two major aspects in a molecular sensing or signaling scaffold—namely the binding of a target followed by the transduction of an observable signal. Chapter 1 will deal with intermolecular binding forces in the form of a case study on electrophilic coordination to carbonyl compounds. Computational studies are performed to determine the optimal geometry of an electrophile interacting with a carbon acid to affect the greatest enhancement in the acidity at the α-carbon. We find that partial interaction through the π-system of the carbonyl and the resulting enolate affords the greatest acidity enhancement. Chapter 2 then switches to studies on the development of a novel signaling method for a molecular signaling assay. Two novel elements—transition metal catalytic signal amplification and peroxyoxalate chemiluminescence—are utilized to generate a signaling motif incorporating two new methodologies for signal generation. The first uses of catalytic signal amplification for the detection of small organic analytes and peroxyoxalate chemiluminescence for signal generation in a molecular recognition event are described. Finally, both elements are brought together in Chapter 3, which describes a mature ionophoric chemodosimeter with both highly sensitive binding and strong signal output. The use of a squaraine dye as a signaling unit for the detection of palladium(II) salts is described in which an aliphatic thiol acts as the theoretical “host” in a covalent displacement type assay. Palladium(II) and other transition metal detection is of importance both industrially and environmentally, and the assay described is sensitive to levels desired in both arenas.Item Adaptive finite element simulation of flow and transport applications on parallel computers(2007) Kirk, Benjamin Shelton; Carey, Graham F.Item An efficient method for approximating products of functions of matrices with vectors(Texas Tech University, 2004-05) Martines, Ian PabloGiven an n x n symmetric positive definite matrix A and a vector c, numerical methods for approximating A1/mc, e^Ac, and ln(A)c are developed, analyzed, and computationally tested. Each method applies Gragg's method with Richardson extrapolation to numerically solve specific initial-value problems to approximate A1/mc, e^Ac, and ln(A)c. Reduction of A to tridiagonal form is first performed to increase the efficiency of the method.Item Concurrency modeling extensions to the Fusion development methodology(Texas Tech University, 1997-05) Wenzel, Peter W.The "Fusion" software development methodology is a self-claimed second-generation full-coverage development method for object-oriented software covering the traditional analysis, design, and implementation phases as well as providing management tools for software development. Fusion's deficiency is its lack of support for concurrency modeling which is essential in the problem domains of all real-time systems. With this one exception. Fusion is an excellent example of a fully integrated object-oriented development methodology, combining the best of several first-generation object-oriented analysis and design (OOAD) methods. The Fusion development methodology may be extended by integrating concurrency modeling into the method, making it more suitable for real-time problem domains. The goals of this thesis are threefold: (1) identify the requirements for modeling concurrency in object-oriented systems, (2) propose extensions to the Fusion object-oriented method for modeling concurrency, and (3) demonstrate the proposed concurrency modeling extensions via a case study. The thesis identifies basic object-oriented concurrency modeling requirements by examining existing concurrency modeling techniques. These requirements are then used to form highly integrated concurrency modeling extensions to the Fusion object-oriented development methodology. Finally, the Fusion concurrency modeling extensions are demonstrated using the telecommunications real-time problem domain of cellular digital packet data (CDPD).