Theory And Application Of Quantum Based Interatomic Potentials In Metals And Alloys
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Author | : John Moriarty |
Publisher | : Oxford University Press |
Total Pages | : 593 |
Release | : 2023-06-29 |
Genre | : Science |
ISBN | : 0198822170 |
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 | : Ya-Wen Zhang |
Publisher | : John Wiley & Sons |
Total Pages | : 521 |
Release | : 2018-08-06 |
Genre | : Science |
ISBN | : 1119214645 |
Systematically summarizes the current status and recent advances in bimetallic structures, their shape-controlled synthesis, properties, and applications Intensive researches are currently being carried out on bimetallic nanostructures, focusing on a number of fundamental, physical, and chemical questions regarding their synthesis and properties. This book presents a systematic and comprehensive summary of the current status and recent advances in this field, supporting readers in the synthesis of model bimetallic nanoparticles, and the exploration and interpretation of their properties. Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is divided into three parts. Part 1 introduces basic chemical and physical knowledge of bimetallic structures, including fundamentals, computational models, and in situ characterization techniques. Part 2 summarizes recent developments in synthetic methods, characterization, and properties of bimetallic structures from the perspective of morphology effect, including zero-dimensional nanomaterials, one-dimensional nanomaterials, and two-dimensional nanomaterials. Part 3 discusses applications in electrocatalysis, heterogeneous catalysis, plasmonics and sensing. Comprehensive reference for an important multidisciplinary research field Thoroughly summarizes the present state and latest developments in bimetallic structures Helps researchers find optimal synthetic methods and explore new phenomena in surface science and synthetic chemistry of bimetallic nanostructures Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is an excellent source or reference for researchers and advanced students. Academic researchers in nanoscience, nanocatalysis, and surface plasmonics, and those working in industry in areas involving nanotechnology, catalysis and optoelectronics, will find this book of interest.
Author | : |
Publisher | : |
Total Pages | : 1460 |
Release | : 1991 |
Genre | : Aeronautics |
ISBN | : |
Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Author | : Pierre Damay |
Publisher | : |
Total Pages | : 412 |
Release | : 1991 |
Genre | : Metal ammonia solutions |
ISBN | : |
Author | : Vinod Tewary |
Publisher | : Woodhead Publishing |
Total Pages | : 628 |
Release | : 2022-11-09 |
Genre | : Technology & Engineering |
ISBN | : 0128199199 |
Nano-scale materials have unique electronic, optical, and chemical properties that make them attractive for a new generation of devices. In the second edition of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics, and Energy Applications, leading experts review the latest advances in research in the understanding, prediction, and methods of production of current and emerging nanomaterials for key applications. The chapters in the first half of the book cover applications of different modeling techniques, such as Green's function-based multiscale modeling and density functional theory, to simulate nanomaterials and their structures, properties, and devices. The chapters in the second half describe the characterization of nanomaterials using advanced material characterization techniques, such as high-resolution electron microscopy, near-field scanning microwave microscopy, confocal micro-Raman spectroscopy, thermal analysis of nanoparticles, and applications of nanomaterials in areas such as electronics, solar energy, catalysis, and sensing. The second edition includes emerging relevant nanomaterials, applications, and updated modeling and characterization techniques and new understanding of nanomaterials. - Covers the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures - Focuses on practical applications and industry needs through a solid outlining of the theoretical background - Includes emerging nanomaterials and their applications in spintronics and sensing
Author | : |
Publisher | : |
Total Pages | : 1396 |
Release | : 2007 |
Genre | : Science |
ISBN | : |
Author | : Hajo Dieringa |
Publisher | : Frontiers Media SA |
Total Pages | : 192 |
Release | : 2021-09-13 |
Genre | : Technology & Engineering |
ISBN | : 2889712842 |
Author | : |
Publisher | : |
Total Pages | : 1684 |
Release | : 1988 |
Genre | : Power resources |
ISBN | : |
Author | : |
Publisher | : |
Total Pages | : 2540 |
Release | : 2002 |
Genre | : Chemistry |
ISBN | : |
Author | : Eric S. Huron |
Publisher | : John Wiley & Sons |
Total Pages | : 952 |
Release | : 2012-10-02 |
Genre | : Technology & Engineering |
ISBN | : 1118516400 |
A superalloy, or high-performance alloy, is an alloy that exhibits excellent mechanical strength at high temperatures. Superalloy development has been driven primarily by the aerospace and power industries. This compilation of papers from the Twelfth International Symposium on Superalloys, held from September 9-13, 2012, offers the most recent technical information on this class of materials.