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Interatomic Forces In Condensed Matter

Author: Mike Finnis
Publisher: Oxford University Press
ISBN: 0199588120
Size: 43.41 MB
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There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using a variety of academic and commercial computer programs. In all such programs there is some physical model of the inter-atomic forces, which may be based on something as simple as a pair interaction, such as the Lennard-Jones model, or as complex as a self-consistent, all-electron solution of the quantum mechanical problem. For a student or researcher, the basis of such models is often shrouded in mystery. It is usually unclear how well founded they are, since it is hard to find a discussion of the physical assumptions that have been made in their construction. The lack of clear understanding of the scope and limitations of a given model may lead to its innocent misuse, resulting either in unfair criticism of the model or in the dissemination of nonsensical results. In the present book, models of inter-atomic forces are derived from a common physical basis, namely the density functional theory. The interested reader will be able to follow the detailed derivation of pairwise potentials in simple metals, tight-binding models from the simplest to the most sophisticated (self-consistent) kind, and various ionic models. The book is self-contained, requiring no more background than provided by an undergraduate quantum mechanics course. It aims to furnish the reader with a critical appreciation of the broad range of models in current use, and to provide the tools for understanding other variants that are described in the literature. Some of the material is new, and some pointers are given to possible future avenues of model development.

Advanced Characterization Techniques For Thin Film Solar Cells

Author: Daniel Abou-Ras
Publisher: John Wiley & Sons
ISBN: 3527699015
Size: 77.69 MB
Format: PDF, Kindle
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The book focuses on advanced characterization methods for thin-film solar cells that have proven their relevance both for academic and corporate photovoltaic research and development. After an introduction to thin-film photovoltaics, highly experienced experts report on device and materials characterization methods such as electroluminescence analysis, capacitance spectroscopy, and various microscopy methods. In the final part of the book simulation techniques are presented which are used for ab-initio calculations of relevant semiconductors and for device simulations in 1D, 2D and 3D. Building on a proven concept, this new edition also covers thermography, transient optoelectronic methods, and absorption and photocurrent spectroscopy.

Microstructure Of Martensite

Author: Kaushik Bhattacharya
Publisher: Oxford University Press
ISBN: 9780198509349
Size: 33.60 MB
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The science of materials (metallurgy) tells us that every material contains microscopic features that vary at different length scales. This underlying microstructure determines the mechanical properties of the material. This book presents the particularly dramatic and compelling case of shape-memory alloys, technologically important materials, beautifully explaining the link between microstructure and macroscopic properties. A sample wire of shape memory material is included with the book.

Introduction To Materials Modelling

Author: Zoe Barber
Publisher: Woodhead Pub Ltd
ISBN:
Size: 20.15 MB
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Introduction to materials modelling describes the use of computer simulation for the prediction and understanding of the structure and properties of materials. It has been based upon the Materials Modelling Masters course given at the Department of Materials Science and Metallurgy, University of Cambridge, UK, which is aimed particularly at graduate students with a background in any of the physical sciences.