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The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by a...
The present volume contains the texts of the invited talks delivered at the Sev enth International Conference on Recent Progress in Many-Body Theories held at the University of Minnesota during the period August 26-31, 1991. The proceedings of the Fourth Conference (Oulu, Finland, 1987) and Fifth Conference (Arad, Israel, 1989) have been published by Plenum as the first two volumes of this series. Papers from the First Conference (Trieste, 1978) comprise Nuclear Physics volume A328, Nos. 1, 2. The Second Conference (Oaxtepec, Mexico, 1989) was published by Springer-Verlag as volume 142 of "Lecture Notes in Physics," entitled "Recent Progress in Many Body Theories." Volume 198 of the same ser...
The XIV International Workshop on Condensed Matter Theories has been held at the Elba International Physics Center (EIPC), Marciana Marina, Isola d'Elba, Italy, from 18-23 June, 1990. The Workshop started in 1977 in Sao Paolo, Brazil, as the 1st Pan American Workshop on Condensed Matter Theories, with the purpose of bringing together scientists from the Western countries, working in many different topics of Condensed Matter Theories, to facilitate exchanges of ideas and technologies from different areas as well as collaborations among the scientists. The next five Workshops were held at Trieste, Italy (1978), in Buenos Aires, Argentina ( 1979), in Caracas, Venezuela (1980), in Mexico City, M...
Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.
This proceedings volume contains a selection of papers presented at the symposium "International Conference on High Performance Scientific Computing'' held at the Hanoi Institute of Mathematics of the Vietnam National Center for Natural Science and Technology (NCST), March 10-14, 2003. The conference has been organized by the Hanoi Institute of Mathematics, SFB 359 ''Reactive Flows, Transport and Diffusion'', Heidelberg, Ho Chi Minh City University of Technology and Interdisciplinary Center for Scientific Computing (IWR), Heidelberg. The contributions cover the broad interdisciplinary spectrum of scientific computing and present recent advances in theory, development of methods, and applications in practice. Subjects covered are mathematical modelling, numerical simulation, methods for optimization and optimal control, parallel computing, symbolic computing, software development, applications of scientific computing in physics, chemistry, biology and mechanics, environmental and hydrology problems, transport, logistics and site location, communication networks, production scheduling, industrial and commercial problems.
Predictive Simulation of Semiconductor Processing enables researchers and developers to extend the scaling range of semiconductor devices beyond the parameter range of empirical research. It requires a thorough understanding of the basic mechanisms employed in device fabrication, such as diffusion, ion implantation, epitaxy, defect formation and annealing, and contamination. This book presents an in-depth discussion of our current understanding of key processes and identifies areas that require further work in order to achieve the goal of a comprehensive, predictive process simulation tool.
The field of solid state ionics is multidisciplinary in nature. Chemists, physicists, electrochimists, and engineers all are involved in the research and development of materials, techniques, and theoretical approaches. This science is one of the great triumphs of the second part of the 20th century. For nearly a century, development of materials for solid-state ionic technology has been restricted. During the last two decades there have been remarkable advances: more materials were discovered, modem technologies were used for characterization and optimization of ionic conduction in solids, trial and error approaches were deserted for defined predictions. During the same period fundamental t...
The aim of this NATO ASI has been to present an up-to-date overview of current areas of interest in amorphous materials. In order to limit the material to a manageable amount, the meeting was concerned exclusively with insulating and semiconducting materials. The lectures and seminars fill the gap between graduate courses and research seminars. The lecturers and seminar speakers were chosen as experts in their respective areas and the lectures and seminars that were given are presented in this volume. During the first week of the meeting. an emphasis was placed on introductory lectures, mainly associated with questions relating to the glass-formation and the structure of glasses. The second week focused more on research seminars. Each day of the meeting. about four posters were presented during the coffee breaks, and these formed an important focus for discussions. The posters are not reproduced in this volume as the editors wanted to have only larger contributions to make this volume more coherent. This volume is organized into four sections, starting with general considerations of the glass forming ability and techniques for the preparation of different kinds of glasses.
Selected, peer reviewed papers from the Symposium: Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior organized within the MRS Fall Meeting 2007 held in Boston MA, USA, November 26-30, 2007
This volume is part of the Ceramic Engineering and Science Proceeding (CESP) series. This series contains a collection of papers dealing with issues in both traditional ceramics (i.e., glass, whitewares, refractories, and porcelain enamel) and advanced ceramics. Topics covered in the area of advanced ceramic include bioceramics, nanomaterials, composites, solid oxide fuel cells, mechanical properties and structural design, advanced ceramic coatings, ceramic armor, porous ceramics, and more.