Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Download Interatomic Potential And Structural Stability full books in PDF, epub, and Kindle. Read online Interatomic Potential And Structural Stability ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Author : K. Terakura
Publisher :
ISBN 13 :
Total Pages : 223 pages
Book Rating : 4.:/5 (87 download)
Download or read book Interatomic Potential and Structural Stability written by K. Terakura and published by . This book was released on 1993 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kiyoyuki Terakura
Publisher : Springer Science & Business Media
ISBN 13 : 3642849687
Total Pages : 229 pages
Book Rating : 4.6/5 (428 download)
Download or read book Interatomic Potential and Structural Stability written by Kiyoyuki Terakura and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 229 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : John A. Moriarty
Publisher : Oxford University Press
ISBN 13 : 0192555359
Total Pages : 593 pages
Book Rating : 4.1/5 (925 download)
Download or read book Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys written by John A. Moriarty and published by Oxford University Press. This book was released on 2023-08-15 with total page 593 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomistic computer simulations are often at the heart of modern attempts to predict and understand the physical properties of real materials, including the vast domain of metals and alloys. Historically, highly simplified empirical potentials have been used to provide the interatomic forces needed to perform such simulations, but true predictive power in these materials emanates from fundamental quantum mechanics. In metals and alloys especially, a viable path forward to the vastly larger length and time scales offered by empirical potentials, while retaining the predictive power of quantum mechanics, is to course-grain the underlying electronic structure of the material and systematically derive quantum-based interatomic potentials from first-principles. This book spans the entire process from foundation in fundamental theory, to the development of accurate quantum-based potentials for real materials, to the wide-spread application of the potentials to the atomistic simulation of structural, thermodynamic, defect and mechanical properties of metals and alloys.
Author : Abhijit Mookerjee
Publisher : CRC Press
ISBN 13 : 1482288125
Total Pages : 384 pages
Book Rating : 4.4/5 (822 download)
Download or read book Electronic Structure of Alloys, Surfaces and Clusters written by Abhijit Mookerjee and published by CRC Press. This book was released on 2002-11-28 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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, sur
Author : N. Hannay
Publisher : Springer Science & Business Media
ISBN 13 : 1468426613
Total Pages : 550 pages
Book Rating : 4.4/5 (684 download)
Download or read book The Chemical Structure of Solids written by N. Hannay and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : J. Hafner
Publisher : Elsevier
ISBN 13 : 148329076X
Total Pages : 391 pages
Book Rating : 4.4/5 (832 download)
Download or read book The Structures of Binary Compounds written by J. Hafner and published by Elsevier. This book was released on 2013-10-22 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: - 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.
Author : David J. Fisher
Publisher : Materials Research Forum LLC
ISBN 13 : 164490201X
Total Pages : 112 pages
Book Rating : 4.6/5 (449 download)
Download or read book Data-Mining and Intermetallic Property-Prediction written by David J. Fisher and published by Materials Research Forum LLC. This book was released on 2022-08-05 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : P. Gehlen
Publisher : Springer Science & Business Media
ISBN 13 : 1468419927
Total Pages : 778 pages
Book Rating : 4.4/5 (684 download)
Download or read book Interatomic Potentials and Simulation of Lattice Defects written by P. Gehlen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the proceedings of the Sixth Battelle Colloquium on the Science of Materials. The Colloquium was devoted to a new field of materials science in which computers are used to conduct the experiments. Although the computer methods used have reached a high degree of sophistication, the underlying principles are relatively straightforward and well understood. The interatomic force laws - a vital input into these computations - however are less well understood. Interatomic Potentials and Simulation of Lattice Defects primarily discusses the validity of a variety of force laws - either from a theoretical point of view or through comparisons of experimental results and those obtained with computer simulation. The format used in previous Battelle Institute Colloquia is followed. The opening session was aimed at providing an overall view of the field of interatomic forces and defect calculations by major contributors. It was led by Dr. G. H. Vineyard, one of the pioneers in this field. The second day was devoted to research papers on theoretical and experimental aspects of interatomic forces. The remaining days were devoted to research papers on computer simulation of the four types of defects: point defects, line defects, surface defects, and volume defects.
Author : R.P. Huebener
Publisher : Springer Science & Business Media
ISBN 13 : 3662084465
Total Pages : 324 pages
Book Rating : 4.6/5 (62 download)
Download or read book Magnetic Flux Structures in Superconductors written by R.P. Huebener and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition has been brought up to date by the inclusion of an extensive new chapter on aspects relevant to high-temperature superconductors. The new edition provides researchers, engineers and other scientists with an introduction to the field and makes useful supplementary reading for graduate students in low-temperature physics.
Author : P. Haasen
Publisher : Elsevier
ISBN 13 : 148315050X
Total Pages : 484 pages
Book Rating : 4.4/5 (831 download)
Download or read book Amorphous Metals and Semiconductors written by P. Haasen and published by Elsevier. This book was released on 2017-01-31 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Amorphous Metals and Semiconductors contains the proceedings of an international workshop held at Coronado, California, USA on May 12-18, 1985. Organized into five parts, this book first looks into the historical perspective on semiconductors and metals. This book then explains the glass formation, magnetic glasses, and amorphous semiconductors. The mechanical and chemical properties of these materials are also given.
Author : Gholamabbas Nazri
Publisher : The Electrochemical Society
ISBN 13 : 9781566772471
Total Pages : 462 pages
Book Rating : 4.7/5 (724 download)
Download or read book Intercalation Compounds for Battery Materials written by Gholamabbas Nazri and published by The Electrochemical Society. This book was released on 2000 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : John N. Lalena
Publisher : John Wiley & Sons
ISBN 13 : 0471714887
Total Pages : 440 pages
Book Rating : 4.4/5 (717 download)
Download or read book Principles of Inorganic Materials Design written by John N. Lalena and published by John Wiley & Sons. This book was released on 2005-05-13 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique interdisciplinary approach to inorganic materialsdesign Textbooks intended for the training of chemists in the inorganicmaterials field often omit many relevant topics. With itsinterdisciplinary approach, this book fills that gap by presentingconcepts from chemistry, physics, materials science, metallurgy,and ceramics in a unified treatment targeted towards the chemistryaudience. Semiconductors, metal alloys and intermetallics, as wellas ceramic substances are covered. Accordingly, the book shouldalso be useful to students and working professionals in a varietyof other disciplines. This book discusses a number of topics that are pertinent to thedesign of new inorganic materials but are typically not covered instandard solid-state chemistry books. The authors start with anintroduction to structure at the mesoscopic level and progress tosmaller-length scales. Next, detailed consideration is given toboth phenomenological and atomistic-level descriptions of transportproperties, the metal-nonmetal transition, magnetic and dielectricproperties, optical properties, and mechanical properties. Finally,the authors present introductions to phase equilibria, synthesis,and nanomaterials. Other features include: * Worked examples demonstrating concepts unfamiliar to thechemist * Extensive references to related literature, leading readers tomore in-depth coverage of particular topics * Biographies introducing the reader to great contributors to thefield of inorganic materials science in the twentieth century With their interdisciplinary approach, the authors have set thegroundwork for communication and understanding among professionalsin varied disciplines who are involved with inorganic materialsengineering. Armed with this publication, students and researchersin inorganic and physical chemistry, physics, materials science,and engineering will be better equipped to face today's complexdesign challenges. This textbook is appropriate for senior-levelundergraduate and graduate course work.
Author : Mansoori G Ali
Publisher : World Scientific Publishing Company
ISBN 13 : 9813102047
Total Pages : 360 pages
Book Rating : 4.8/5 (131 download)
Download or read book Principles Of Nanotechnology: Molecular Based Study Of Condensed Matter In Small Systems written by Mansoori G Ali and published by World Scientific Publishing Company. This book was released on 2005-03-03 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book provides a pointed introduction to the fascinating subject of bottom-up nanotechnology with emphasis on the molecular-based study of condensed matter in small systems. Nanotechnology has its roots in the landmark lecture delivered by the famous Nobel Laureate physicist, Richard Feynman, on 29 December 1959 entitled “There's Plenty of Room at the Bottom.” By the mid-1980s, it had gained real momentum with the invention of scanning probe microscopes. Today, nanotechnology promises to have a revolutionary impact on the way things are designed and manufactured in the future.Principles of Nanotechnology is self-contained and unified in presentation. It may be used as a textbook by graduate students and even ambitious undergraduates in engineering, and the biological and physical sciences who already have some familiarity with quantum and statistical mechanics. It is also suitable for experts in related fields who require an overview of the fundamental topics in nanotechnology. The explanations in the book are detailed enough to capture the interest of the curious reader, and complete enough to provide the necessary background material needed to go further into the subject and explore the research literature. Due to the interdisciplinary nature of nanotechnology, a comprehensive glossary is included detailing abbreviations, chemical formulae, concepts, definitions, equations and theories.
Author : Patrice E.A. Turchi
Publisher : Springer Science & Business Media
ISBN 13 : 1461524768
Total Pages : 725 pages
Book Rating : 4.4/5 (615 download)
Download or read book Statics and Dynamics of Alloy Phase Transformations written by Patrice E.A. Turchi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 725 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of phase transformations in substitutional alloys, including order disorder phenomena and structural transformations, plays a crucial role in understanding the physical and mechanical properties of materials, and in designing alloys with desired technologically important characteristics. Indeed, most of the physical properties, including equilibrium properties, transport, magnetic, vibrational as well as mechanical properties of alloys are often controlled by and are highly sensitive to the existence of ordered compounds and to the occurrence of structural transformations. Correspondingly, the alloy designer facing the task of processing new high-performance materials with properties that meet specific industrial applications must answer the following question: What is the crystalline structure and the atomic configuration that an alloy may exhibit at given temperature and concentration? Usually the answer is sought in the phase-diagram of a relevant system that is often determined experimentally and does not provide insight to the underlying mechanisms driving phase stability. Because of the rather tedious and highly risky nature of developing new materials through conventional metallurgical techniques, a great deal of effort has been expended in devising methods for understanding the mechanisms contrOlling phase transformations at the microscopic level. These efforts have been bolstered through the development of fully ab initio, accurate theoretical models, coupled with the advent of new experimental methods and of powerful supercomputer capabilities.
Author : J. A. Alonso
Publisher : Academic Press
ISBN 13 : 0080984495
Total Pages : 603 pages
Book Rating : 4.0/5 (89 download)
Download or read book Electrons In Metals And Alloys written by J. A. Alonso and published by Academic Press. This book was released on 2012-12-02 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a broad review of the electronic structure of metals and alloys. It emphasises the way in which the behavior of electrons in these materials governs the thermodynamic and other properties of these conducting materials. The theoretical treatment proceeds from a wave mechanics approach to more sophisticated techniques for the description of the properties of metals and alloys.
Author : Jürgen Hafner
Publisher : Springer Science & Business Media
ISBN 13 : 3642830587
Total Pages : 416 pages
Book Rating : 4.6/5 (428 download)
Download or read book From Hamiltonians to Phase Diagrams written by Jürgen Hafner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of the modern theory of metals and alloys has coincided with great advances in quantum-mechanical many-body theory, in electronic structure calculations, in theories of lattice dynamics and of the configura tional thermodynamics of crystals, in liquid-state theory, and in the theory of phase transformations. For a long time all these different fields expanded quite independently, but now their overlap has become sufficiently large that they are beginning to form the basis of a comprehensive first-principles the ory of the cohesive, structural, and thermodynamical properties of metals and alloys in the crystalline as well as in the liquid state. Today, we can set out from the quantum-mechanical many-body Hamiltonian of the system of electrons and ions, and, following the path laid out by generations of the oreticians, we can progress far enough to calculate a pressure-temperature phase diagram of a metal or a composition-temperature phase diagram of a binary alloy by methods which are essentially rigorous and from first prin ciples. This book was written with the intention of confronting the materials scientist, the metallurgist, the physical chemist, but also the experimen tal and theoretical condensed-matter physicist, with this new and exciting possibility. Of course there are limitations to such a vast undertaking as this. The selection of the theories and techniques to be discussed, as well as the way in which they are presented, are necessarily biased by personal inclination and personal expertise.
Author : Tetsuya Saito
Publisher : Springer Science & Business Media
ISBN 13 : 3662039230
Total Pages : 302 pages
Book Rating : 4.6/5 (62 download)
Download or read book Computational Materials Design written by Tetsuya Saito and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book consists of ten chapters which outline a wide range of technologies from first-principle calculations to continuum mechanics, with applications to materials design and development. Written with a clear exposition, this book will be invaluable for engineers who want to learn about the modern technologies and techniques utilized in materials design.
