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Interatomic Potentials
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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 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 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 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 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 Atomistic Simulation of Materials by : David J. Srolovitz
Download or read book Atomistic Simulation of Materials written by David J. Srolovitz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains proceedings of an international symposium on Atomistic th Simulation of Materials: Beyond Pair Potentials which was held in Chicago from the 25 th to 30 of September 1988, in conjunction with the ASM World Materials Congress. This symposium was financially supported by the Energy Conversion and Utilization Technology Program of the U. S Department of Energy and by the Air Force Office of Scientific Research. A total of fifty four talks were presented of which twenty one were invited. Atomistic simulations are now common in materials research. Such simulations are currently used to determine the structural and thermodynamic properties of crystalline solids, glasses and liquids. They are of particular importance in studies of crystal defects, interfaces and surfaces since their structures and behavior playa dominant role in most materials properties. The utility of atomistic simulations lies in their ability to provide information on those length scales where continuum theory breaks down and instead complex many body problems have to be solved to understand atomic level structures and processes.
Book Synopsis Interatomic Potentials for Covalently Bonded Materials Containing Silicone and Hydrogen by : Barry Charles Bolding
Download or read book Interatomic Potentials for Covalently Bonded Materials Containing Silicone and Hydrogen written by Barry Charles Bolding and published by . This book was released on 1989 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Materials Informatics by : Olexandr Isayev
Download or read book Materials Informatics written by Olexandr Isayev and published by John Wiley & Sons. This book was released on 2019-12-04 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.
Book Synopsis Modelling and Simulation in the Science of Micro- and Meso-Porous Materials by : C.Richard A. Catlow
Download or read book Modelling and Simulation in the Science of Micro- and Meso-Porous Materials written by C.Richard A. Catlow and published by Elsevier. This book was released on 2017-09-20 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. - Authored and edited by experts in the field of micro- and meso-porous materials - Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies - Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
Book Synopsis Advances in Atomic and Molecular Physics by :
Download or read book Advances in Atomic and Molecular Physics written by and published by Academic Press. This book was released on 1981-08-17 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Atomic and Molecular Physics
Book Synopsis Atomistic Modeling of Materials Failure by : Markus J. Buehler
Download or read book Atomistic Modeling of Materials Failure written by Markus J. Buehler and published by Springer Science & Business Media. This book was released on 2008-08-07 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.
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 Series on Materials Mod. This book was released on 2003 with total page 306 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 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.
Book Synopsis Handbook of Sputter Deposition Technology by : Kiyotaka Wasa
Download or read book Handbook of Sputter Deposition Technology written by Kiyotaka Wasa and published by William Andrew. This book was released on 2012-11-20 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thoroughly updated new edition includes an entirely new team of contributing authors with backgrounds specializing in the various new applications of sputtering technology. It forms a bridge between fundamental theory and practical application, giving an insight into innovative new materials, devices and systems. Organized into three parts for ease of use, this Handbook introduces the fundamentals of thin films and sputtering deposition, explores the theory and practices of this field, and also covers new technology such as nano-functional materials and MEMS. Wide varieties of functional thin film materials and processing are described, and experimental data is provided with detailed examples and theoretical descriptions. A strong applications focus, covering current and emerging technologies, including nano-materials and MEMS (microelectrolmechanical systems) for energy, environments, communications, and/or bio-medical field. New chapters on computer simulation of sputtering and MEMS completes the update and insures that the new edition includes the most current and forward-looking coverage available All applications discussed are supported by theoretical discussions, offering readers both the "how" and the "why" of each technique 40% revision: the new edition includes an entirely new team of contributing authors with backgrounds specializing in the various new applications that are covered in the book and providing the most up-to-date coverage available anywhere
Download or read book Coating Materials written by Akarsh Verma and published by Springer Nature. This book was released on 2023-07-12 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprehensively reviews assorted types of coatings, their applications, and various strategies employed by several scientists and researchers to fabricate them. Exclusively, the recent progress in computational strategies that are helpful to optimize the best suitable coating formulation before one goes for the real-time fabrication has been discussed in detail. And this book is also intended to shed light on the computational modeling techniques that are used in the characterization of various coating materials. It covers mechanisms, salient features, formulations, important aspects, and case studies of coatings utilized for various applications. The latest research in this area as well as possible avenues of future research is also highlighted to encourage the researchers.
Author :Steven M. Arnold and Terry T. Wong, Editors Publisher :ASM International ISBN 13 :1615038434 Total Pages :206 pages Book Rating :4.6/5 (15 download)
Book Synopsis Models, Databases and Simulation Tools Needed for Realization of Integrated Computational Mat. Eng. (ICME 2010) by : Steven M. Arnold and Terry T. Wong, Editors
Download or read book Models, Databases and Simulation Tools Needed for Realization of Integrated Computational Mat. Eng. (ICME 2010) written by Steven M. Arnold and Terry T. Wong, Editors and published by ASM International. This book was released on 2011 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis An Introduction to Aspects of Thermodynamics and Kinetics Relevant to Materials Science by : Eugene Machlin
Download or read book An Introduction to Aspects of Thermodynamics and Kinetics Relevant to Materials Science written by Eugene Machlin and published by Elsevier. This book was released on 2010-07-07 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is based on a set of notes developed over many years for an introductory course taught to seniors and entering graduate students in materials science. An Introduction to Aspects of Thermodynamics and Kinetics Relevant to Materials Science is about the application of thermodynamics and kinetics to solve problems within Materials Science. Emphasis is to provide a physical understanding of the phenomenon under discussion, with the mathematics presented as a guide. The problems are used to provide practice in quantitative application of principles, and also to give examples of applications of the general subject matter to problems having current interest and to emphasize the important physical concepts. End of chapter problems are included, as are references, and bibliography to reinforce the text. This book provides students with the theory and mathematics to understand the important physical understanding of phenomena. - Based on a set of notes developed over many years for an introductory course taught to seniors and entering graduate students in materials science - Provides students with the theory and mathematics to understand the important physical understanding of phenomena - Includes end of chapter problems, references, and bibliography to reinforce the text
Book Synopsis Progress in Atomic Spectroscopy by : W. Hanle
Download or read book Progress in Atomic Spectroscopy written by W. Hanle and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 743 pages. Available in PDF, EPUB and Kindle. Book excerpt: W. HANLE and H. KLEINPOPPEN In 1919, in the first edition of Atombau and Spektrallinien, Sommerfeld referred to the immense amount of information which had been accumu lated during the first period of 60 years of spectroscopic practice. Sommer feld emphasized that the names of Planck and Bohr would be connected forever with the efforts that had been made to understand the physics and the theory of spectral lines. Another period of almost 60 years has elapsed since the first edition of Sommerfeld's famous monograph. As the editors of this monograph, Progress in Atomic Spectroscopy, we feel that the present period is best characterized by the large variety of new spec troscopic methods that have been invented in the last decades. Spectroscopy has always been involved in the field of research on atomic structure and the interaction of light and atoms. The development of new spectroscopic methods (i.e., new as compared to the traditional optical methods) has led to many outstanding achievements, which, together with the increase of activity over the last decades, appear as a kind of renaissance of atomic spectroscopy.
