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Handbook of Materials Modeling
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...
Recent Progress in Many-Body Theories
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...
Amorphous Insulators and Semiconductors
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.
Microbial Bioprocessing of Agri-food Wastes
Microbes are widely used in large-scale industrial processes due to their versatility, easy growing cultivation, kinetic potential, and the ability to generate metabolites with a wide range of potential applications to various commercial sectors, such as the food, pharmaceutical and cosmetic industries, in addition to the potential for agriculture, biomedical, and several others. Among the metabolites of greatest commercial interest, and many obtained on an industrial scale, the wide range of enzymes, biofuels, organic acids, amino acids, vitamins, biopolymers, and many other classes of metabolites. This book is intended for Bioengineers, Biologist, Biochemist, Biotechnologists, microbiologi...
Predictive Simulation of Semiconductor Processing
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.
Applying Molecular and Materials Modeling
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Computational Chemistry
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.
Nanoparticles from the Gasphase
Gasphase synthesis of nanoparticles and nanostructured materials offers high chemical purity and crystalline quality as well as scalability up to industrial quantities. It is therefore highly attractive for both basic and applied science. This book gives a broad and coherent overview of the complete production and value chain from nanoparticle formation to integration into products and devices. Written by experts in the field – with backgrounds in electrical engineering, experimental and theoretical physics, materials science, and chemical engineering – the book offers a deep insight into the fabrication, characterization and application of nanoparticles from the gasphase. The first part...
Statistical Physics of Fracture, Breakdown, and Earthquake
In this book, the authors bring together basic ideas from fracture mechanics and statistical physics, classical theories, simulation and experimental results to make the statistical physics aspects of fracture more accessible. They explain fracture-like phenomena, highlighting the role of disorder and heterogeneity from a statistical physical viewpoint. The role of defects is discussed in brittle and ductile fracture, ductile to brittle transition, fracture dynamics, failure processes with tension as well as compression: experiments, failure of electrical networks, self-organized critical models of earthquake and their extensions to capture the physics of earthquake dynamics. The text also includes a discussion of dynamical transitions in fracture propagation in theory and experiments, as well as an outline of analytical results in fiber bundle model dynamics With its wide scope, in addition to the statistical physics community, the material here is equally accessible to engineers, earth scientists, mechanical engineers, and material scientists. It also serves as a textbook for graduate students and researchers in physics.
Polyurea
Polyurea: Synthesis, Properties, Composites, Production, and Applications is a comprehensive and practical guide to polyurea, a material used for its exceptional properties and performance in a range of high value industrial applications. Sections cover polyurea formulations and properties, comparing aromatic polyurea with aliphatic polyurea and computation modeling of properties for polyurea and polyurea composites. This is followed by in-depth coverage of synthesis, structure and production methods of polyurea, with the connections between production, performance and properties examined thoroughly. Other sections explain the preparation, characterization, modeling and applications of polyu...
