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Interatomic
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Book Synopsis Interatomic Bonding in Solids by : Valim Levitin
Download or read book Interatomic Bonding in Solids written by Valim Levitin and published by John Wiley & Sons. This book was released on 2014-02-17 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: The connection between the quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum engineering and theory should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids together and it is central to determining structural, mechanical, chemical, electrical, magnetic, and vibrational properties. The main part of the book is devoted to an overview of the fundamentals of density functional theory and its applications to computational solid-state physics and chemistry. The author shows the technique for construction of models and the computer simulation methods in detail. He considers fundamentals of physical and chemical interatomic bonding in solids and analyzes the predicted theoretical outcome in comparison with experimental data. He applies first-principle simulation methods to predict the properties of transition metals, semiconductors, oxides, solid solutions, and molecular and ionic crystals. Uniquely, he presents novel theories of creep and fatigue that help to anticipate, and prevent, possibly fatal material failures. As a result, readers gain the knowledge and tools to simulate material properties and design materials with desired characteristics. Due to the interdisciplinary nature of the book, it is suitable for a variety of markets from students to engineers and researchers.
Book Synopsis Interatomic Potentials by : Iam Torrens
Download or read book Interatomic Potentials written by Iam Torrens and published by Elsevier. This book was released on 2012-12-02 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interatomic Potentials provides information pertinent to the fundamental aspects of the interaction between atoms. This book discusses the theory of interatomic forces or potentials, which deals with the complicated problem of many-body interactions. Organized into 10 chapters, this book begins with an overview of the physical principles behind a range of atomic interactions and show how they can be applied to some atomic problems. This text then examines some of the theories of the atom that employ various approximate methods to simplify the many-body problem and estimate it potential energy. Other chapters consider the application of computer techniques to atomic problems. This book discusses as well the general principles and the particular types of pair interactions based on the pseudopotential method. The final chapter deals with some applications of interatomic potentials. This book is a valuable resource for graduate students, research workers, and teachers. Atomic and solid state physicists will also find this book useful.
Book Synopsis Interatomic Forces in Condensed Matter by : Mike Finnis
Download or read book Interatomic Forces in Condensed Matter written by Mike Finnis and published by Oxford Materials Modelling. This book was released on 2010-05-13 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using academic and commercial computer programs. Such programs work with very diverse models of the inter-atomic forces. This book explains how these are constructed, their scientific basis, and the approximations that are made in deriving them.
Book Synopsis Interatomic Potential and Structural Stability by : Kiyoyuki Terakura
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.
Book Synopsis Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys by : John A. Moriarty
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.
Book Synopsis Interatomic Potentials and Simulation of Lattice Defects by : P. Gehlen
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.
Book Synopsis Relativistic Effects in Interatomic Ionization Processes and Formation of Antimatter Ions in Interatomic Attachment Reactions by : Andreas Jacob
Download or read book Relativistic Effects in Interatomic Ionization Processes and Formation of Antimatter Ions in Interatomic Attachment Reactions written by Andreas Jacob and published by Springer Nature. This book was released on with total page 154 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Study of Interatomic Potentials Using the Crystal-GRID Method on Oriented Single Crystals of Ni, Fe, and Cr by :
Download or read book Study of Interatomic Potentials Using the Crystal-GRID Method on Oriented Single Crystals of Ni, Fe, and Cr written by and published by DIANE Publishing. This book was released on with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Comments on Reported Interatomic Distances in Fluorinated Hydrocarbons by : S. H. Bauer
Download or read book Comments on Reported Interatomic Distances in Fluorinated Hydrocarbons written by S. H. Bauer and published by . This book was released on 1947 with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Interatomic Potentials and Crystalline Defects by : Jong K. Lee
Download or read book Interatomic Potentials and Crystalline Defects written by Jong K. Lee and published by Society for Mining Metallurgy & Exploration. This book was released on 1981 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Materials Processing and Manufacturing Science by : Rajiv Asthana
Download or read book Materials Processing and Manufacturing Science written by Rajiv Asthana and published by Elsevier. This book was released on 2006-01-09 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: “Materials Science in Manufacturing focuses on materials science and materials processing primarily for engineering and technology students preparing for careers in manufacturing. The text also serves as a useful reference on materials science for the practitioner engaged in manufacturing as well as the beginning graduate student.Integrates theoretical understanding and current practices to provide a resource for students preparing for advanced study or career in industry. Also serves as a useful resource to the practitioner who works with diverse materials and processes, but is not a specialist in materials science. This book covers a wider range of materials and processes than is customary in the elementary materials science books.This book covers a wider range of materials and processes than is customary in the elementary materials science books. * Detailed explanations of theories, concepts, principles and practices of materials and processes of manufacturing through richly illustrated text* Includes new topics such as nanomaterials and nanomanufacturing, not covered in most similar works* Focuses on the interrelationship between Materials Science, Processing Science, and Manufacturing Technology
Book Synopsis INTRODUCTION TO SOLID STATE PHYSICS, Second Edition by : KUMAR, ARUN
Download or read book INTRODUCTION TO SOLID STATE PHYSICS, Second Edition written by KUMAR, ARUN and published by PHI Learning Pvt. Ltd.. This book was released on 2015-10-01 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Solid State Physics, in its Second Edition, provides a comprehensive introduction to the physical properties of crystalline solids. It explains the structure of crystals, theory of crystal diffraction and the reciprocal lattice. As the book advances, it describes different kinds of imperfections in crystals, bonding in solids, and vibration in one-dimensional monoatomic and diatomic linear lattice. Different theories of specific heat, thermal conductivity of solids and lattice thermal conductivity are thoroughly dealt with. Coverage also includes the free electron theory, band theory of solids and semiconductors. In addition, the book also describes in detail the magnetic properties of solids and superconductivity. Finally, the book includes discussions on lasers, nanotechnology and the basic principles of fibre optics and holography. Some new topics like cellular method, quantum Hall effect, de Haas van Alphen effect, Pauli paramagnetism and semiconductor laser have been added in the present edition of the book to make it more useful for the students. The book is designed to meet the requirements of undergraduate and postgraduate students of physics for their courses in solid state physics, condensed matter physics and material science. KEY FEATURES • Puts a conceptual emphasis on the subject. • Includes numerous diagrams and figures to clarify the concepts. • Gives step-by-step explanations of theories. • Provides chapter-end exercises to test the knowledge acquired.
Book Synopsis The Gaussian Approximation Potential by : Albert Bartók-Pártay
Download or read book The Gaussian Approximation Potential written by Albert Bartók-Pártay and published by Springer Science & Business Media. This book was released on 2010-07-27 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.
Book Synopsis Hearings and Reports on Atomic Energy by : United States. Congress. Joint Committee on Atomic Energy
Download or read book Hearings and Reports on Atomic Energy written by United States. Congress. Joint Committee on Atomic Energy and published by . This book was released on 1958 with total page 906 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Materials Science and Engineering by : William D. Callister
Download or read book Materials Science and Engineering written by William D. Callister and published by John Wiley & Sons. This book was released on 2019-01-03 with total page 994 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Physics of Functional Materials by : Hasse Fredriksson
Download or read book Physics of Functional Materials written by Hasse Fredriksson and published by John Wiley & Sons. This book was released on 2008-09-15 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by academics with more than 30 years experience teaching physics and material science, this book will act as a one-stop reference on functional materials. Offering a complete coverage of functional materials, this unique book deals with all three states of the material, providing an insightful overview of this subject not before seen in other texts. Includes solved examples, a number of exercises and answers to the exercises. Aims to promote understanding of the subject as a basis for higher studies. The use of mathematically complicated quantum mechanical equations will be minimized to aid understanding. For Instructors & Students: Visit Wiley’s Higher Education Site for: Supplements Online Resources Technology Solutions Instructors may request an evaluation copy for this title.
Book Synopsis Equations of State for Solids in Geophysics and Ceramic Science by : Orson Anderson
Download or read book Equations of State for Solids in Geophysics and Ceramic Science written by Orson Anderson and published by Oxford University Press. This book was released on 1995-01-12 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by a renowned expert in the field, this book is the most comprehensive treatment available on the applications of equations of state (EoS) in geophysics and materials science, a topic of fundamental importance to those studying the physics and chemistry of the Earth. Part one offers comprehensive treatments of thermal properties associated with EoS, thermodynamic and statistical mechanical backgrounds, and thermoelastic properties. Definitions of the physical properties needed for the EoS are provided as well. Part two discusses the isothermal pressure-volume relationship. The ab initio approach--EoS based upon quantum mechanics fundamentals using numerical methods--is utilized to clearly represent and analyze the measured data. Part three offers an advanced treatment of thermal properties at high temperature, and includes discussions of thermal pressure, shocked solids, and EoS applications to materials science topics such as melting and thermodynamic function. Advanced students, researchers, and professionals in geophysics, ceramics science, solid state physics, and geochemistry will want to read this book.
