75 research outputs found

    Mammography

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    In this volume, the topics are constructed from a variety of contents: the bases of mammography systems, optimization of screening mammography with reference to evidence-based research, new technologies of image acquisition and its surrounding systems, and case reports with reference to up-to-date multimodality images of breast cancer. Mammography has been lagged in the transition to digital imaging systems because of the necessity of high resolution for diagnosis. However, in the past ten years, technical improvement has resolved the difficulties and boosted new diagnostic systems. We hope that the reader will learn the essentials of mammography and will be forward-looking for the new technologies. We want to express our sincere gratitude and appreciation?to all the co-authors who have contributed their work to this volume

    Determining Material Structures and Surface Chemistry by Genetic Algorithms and Quantum Chemical Simulations

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    With the advent of modern computing, the use of simulation in chemistry has become just as important as experiment. Simulations were originally only applicable to small molecules, but modern techniques, such as density functional theory (DFT) allow extension to materials science. While there are many valuable techniques for synthesis and characterization in chemistry laboratories, there are far more materials possible than can be synthesized, each with an entire host of surfaces. This wealth of chemical space to explore begs the use of computational chemistry to mimic synthesis and experimental characterization. In this work, genetic algorithms (GA), for the former, and DFT calculations, for the latter, are developed and used for the in silico exploration of materials chemistry. Genetic algorithms were first theorized in 1975 by John Holland and over the years subsequently expanded and developed for a variety of purposes. The first application to chemistry came in the early 1990’s and surface chemistry, specifically, appeared soon after. To complement the ability of a GA to explore chemical space is a second algorithmic technique: machine learning (ML) wherein a program is able to categorize or predict properties of an input after reviewing many, many examples of similar inputs. ML has more nebulous origins than GA, but applications to chemistry also appeared in the 1990’s. A history perspective and assessment of these techniques towards surface chemistry follows in this work. A GA designed to find the crystal structure of layered chemical materials given the material’s X-ray diffraction pattern is then developed. The approach reduces crystals into layers of atoms that are transformed and stacked until they repeat. In this manner, an entire crystal need only be represented by its base layer (or two, in some cases) and a set of instructions on how the layers are to be arranged and stacked. Molecules that may be present may not quite behave in this fashion, and so a second set of descriptors exist to determine the molecule’s position and orientation. Finally, the lattice of the unit cell is specified, and the structure is built to match. The GA determines the structure’s X-ray diffraction pattern, compares it against a provided experimental pattern, and assigns it a fitness value, where a higher value indicates a better match and a more fit individual. The most fit individuals mate, exchanging genetic material (which may mutate) to produce offspring which are further subjected to the same procedure. This GA can find the structure of bulk, layered, organic, and inorganic materials. Once a material’s bulk structure has been determined, surfaces of the material can be derived and analyzed by DFT. In this thesis, DFT is used to validate results from the GA regarding lithium-aluminum layered double hydroxide. Surface chemistry is more directly explored in the prediction of adsorbates on surfaces of lithiated nickel-manganese-cobalt oxide, a common cathode material in lithium-ion batteries. Surfaces are evaluated at the DFT+U level of theory, which reduces electron over-delocalization, and the energies of the surfaces both bare and with adsorbates are compared. By applying first-principles thermodynamics to predict system energies under varying temperatures and pressures, the behavior of these surfaces in experimental conditions is predicted to be mostly pristine and bare of adsorbates. For breadth, this thesis also presents an investigation of the electronic and optical properties of organic semiconductors via DFT and time-dependent DFT calculations

    Pertanika Journal of Science & Technology

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    Pertanika Journal of Science & Technology

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    NASA Tech Briefs, May 1997

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    Topics covered include: Advanced Composites, Plastics and Metals; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

    1999 LDRD Laboratory Directed Research and Development

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    Generalized averaged Gaussian quadrature and applications

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    A simple numerical method for constructing the optimal generalized averaged Gaussian quadrature formulas will be presented. These formulas exist in many cases in which real positive GaussKronrod formulas do not exist, and can be used as an adequate alternative in order to estimate the error of a Gaussian rule. We also investigate the conditions under which the optimal averaged Gaussian quadrature formulas and their truncated variants are internal

    MS FT-2-2 7 Orthogonal polynomials and quadrature: Theory, computation, and applications

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    Quadrature rules find many applications in science and engineering. Their analysis is a classical area of applied mathematics and continues to attract considerable attention. This seminar brings together speakers with expertise in a large variety of quadrature rules. It is the aim of the seminar to provide an overview of recent developments in the analysis of quadrature rules. The computation of error estimates and novel applications also are described

    Reports to the President

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    A compilation of annual reports for the 1989-1990 academic year, including a report from the President of the Massachusetts Institute of Technology, as well as reports from the academic and administrative units of the Institute. The reports outline the year's goals, accomplishments, honors and awards, and future plans

    Air Quality Monitoring, Assessment and Management

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    Human beings need to breathe oxygen diluted in certain quantity of inert gas for living. In the atmosphere, there is a gas mixture of, mainly, oxygen and nitrogen, in appropriate proportions. However, the air also contains other gases, vapours and aerosols that humans incorporate when breathing and whose composition and concentration vary spatially. Some of these are physiologically inert. Air pollution has become a problem of major concern in the last few decades as it has caused negative effects on human health, nature and properties. This book presents the results of research studies carried out by international researchers in seventeen chapters which can be grouped into two main sections: a) air quality monitoring and b) air quality assessment and management, and serves as a source of material for all those involved in the field, whether as a student, scientific researcher, industrialist, consultant, or government agency with responsibility in this area
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