Interatomic Potential And Structural Stability

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Interatomic Potential And Structural Stability

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Author : Kiyoyuki Terakura
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-08

Interatomic Potential And Structural Stability written by Kiyoyuki Terakura and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-08 with Technology & Engineering categories.

Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volume contains very recent results of "going beyond LDA", such as the density gradient expansion and the quantum Monte-Carlomethod. Following the recently introduced theoretical methods for the calculation of interatomic potentials, forces acting on atoms and total energies such as the Car-Parrinello, the effective-medium and the bond-ordermethod, attempts have been made to develop even more sophisticated methods such as the order-N method in electronic-structure calculations. The present status of these methods and their application to real systems are described. In addition, in order to study the phase stability atfinite temperatures, the microscopic calculations have to be combined with statistical treatment of the systems to describe, e.g. order-disorder transitions on the Si(001) surface or alloy phase diagrams. This book contains examples for this type of calculations.

Interatomic Potential And Structural Stability

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Author : K. Terakura
language : en
Publisher:
Release Date : 1993

Interatomic Potential And Structural Stability written by K. Terakura and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with categories.

Electronic Structure Of Alloys Surfaces And Clusters

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Author : Abhijit Mookerjee
language : en
Publisher: CRC Press
Release Date : 2002-11-28

Electronic Structure Of Alloys Surfaces And Clusters written by Abhijit Mookerjee and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-11-28 with Technology & Engineering categories.

Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.

The Chemical Structure Of Solids

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Author : N. Hannay
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

The Chemical Structure Of Solids written by N. Hannay and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

The Structures Of Binary Compounds

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Author : J. Hafner
language : en
Publisher: Elsevier
Release Date : 2013-10-22

The Structures Of Binary Compounds written by J. Hafner and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.

- Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in understanding the quantum mechanical origin of structural stability presented in two clearly-written chapters by leading experts in the field: Hafner, Majewski and Vogl. ``The Structures of Binary Compounds'' presents not only the most up-to-date compilation of the experimental data on the structures of binary compounds, but also the recent important theoretical advances in understanding the quantum-mechanical origin of structural stability. In addition to this volume, a large wall chart displaying the structure maps for the AB, ABs and AB3 stoichiometries together with the corresponding co-ordination polyhedra, has been published.The first half of the book details the successful ordering of the known experimental data in two- or three-dimensional coloured structure maps, the 150 most frequently occurring structure types being characterized for the first time by their local co-ordination polyhedra. The second half of the book details the success of first-principle theoretical calculations within the Local Density Functional Approximation in predicting the correct ground state structures of binary semiconductors, insulators and metals. The book concludes with a chapter on the cohesion and structure of solids from the more localized tight-binding point of view.

Field Theories For Low Dimensional Condensed Matter Systems

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Author : Guiseppe Morandi
language : en
Publisher: Springer Science & Business Media
Release Date : 2000-07-26

Field Theories For Low Dimensional Condensed Matter Systems written by Guiseppe Morandi and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-07-26 with Language Arts & Disciplines categories.

The contributions in this book give a high-level coverage of many of the subjects and techniques needed to understand the physics of low-dimensional condensed matter systems. The topics presented include the use of conformal field theories, the Luttinger liquid approach to one-dimensional electron systems, and the use of random matrices in problems connected with quantum chaos. The contributions are authored by some of the most prominent physicists active in the field, among them the 1998 Nobel Prize laureate R. B. Laughlin. The book should become an extremely useful instrument for all those interested in theoretical condensed matter physics.

Industrial Materials Applications Products And Technologies

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Author : De Huai Zeng
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2013-08-30

Industrial Materials Applications Products And Technologies written by De Huai Zeng and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-08-30 with Technology & Engineering categories.

Selected, peer reviewed papers from the 2013 World Congress on Industrial Materials – Applications, Products and Technologies (WCIM 2013), April 1-2, 2013, Beijing, China

Magnetic Flux Structures In Superconductors

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Author : R.P. Huebener
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-14

Magnetic Flux Structures In Superconductors written by R.P. Huebener and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-14 with Technology & Engineering categories.

The first edition of this book provided an introduction to the many static and dynamic features of magnetic flux structures in what are now called classical or low-temperature superconductors. It went out of print not long after the discovery of high-temperature superconductors in 1986 by J.G. Bednorz and K.A. Miiller, a discovery which resulted worldwide in an explosive growth of research and development in the field of superconductivity. Because of this upsurge of activities, a strong demand for this book clearly continued. Since the contents of the fourteen chapters of the first edition are still valid and continue to represent a useful introduction into the various subjects, it was felt that a reprinting of these chapters in this second edition would be highly attractive. In this way, the reader is also able to trace the earlier scienti fic developments, themselves constituting important ideas sometimes forgot ten by the new community dealing with high-temperature superconductivity. However, because of the exciting and important recent progress in the field of high-temperature superconductivity, an extensive chapter has been added in this second edition. It provides a summary of the new developments and a discussion of the highlights. Here keywords such as vortex matter, vortex imaging, and half-integer magnetic flux quanta describe surprising new issues.

Order And Phase Stability In Alloys

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Author : F. Ducastelle
language : en
Publisher: North Holland
Release Date : 1991

Order And Phase Stability In Alloys written by F. Ducastelle and has been published by North Holland this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Science categories.

Hardbound. The main purpose of this book is to describe the modern tools of solid state physics (in particular, electronic structure calculations and statistical thermodynamics) that enable us to understand ordering effects in alloys and to determine phase diagrams. This approach is used more to throw light on the most important physical mechanisms rather than to be able to make accurate predictions suitable for particular applications. On the other hand, more phenomenological, practically oriented approaches can expand the scope of these new theoretical insights. A second purpose of the book is to show that materials science can provide wonderful and too often ignored examples to test and discuss the most fundamental physical theories. For example, many real alloys on a face centered cubic lattice are marvellous examples of the Ising model on this lattice with many different ordered structures, commensurate or not.The text is therefore defi

Data Mining And Intermetallic Property Prediction

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Author : David J. Fisher
language : en
Publisher: Materials Research Forum LLC
Release Date : 2022-08-05

Data Mining And Intermetallic Property Prediction written by David J. Fisher and has been published by Materials Research Forum LLC this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-08-05 with Technology & Engineering categories.

Using a computer-aided data mining approach and available experimental data bases, the author discusses the prediction of the structures and properties of intermetallic alloy compounds. The book references 252 original resources with their direct web links for in-depth reading. Keywords: Data-Mining, Intermetallic Compounds, Structure-Mapping, Clustering Methods, Free Energy, Energy Landscapes of Compounds, Stable Groupings of Atoms, Intermetallic Phases, Crystal Unit Cell Size, Platonic Solids, Symmetries, Stoichiometries, Stability Fields.