Theory And Application Of Quantum Based Interatomic Potentials In Metals And Alloys

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Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys

Author : John Moriarty
Publisher : Oxford University Press
ISBN 13 : 0198822170
Total Pages : 593 pages
Book Rating : 4.1/5 (988 download)

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Book Synopsis Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys by : John Moriarty

Download or read book Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys written by John Moriarty and published by Oxford University Press. This book was released on 2023-06-29 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.

Advances in Density Functional Theory and Beyond for Computational Chemistry

Author : Wei Hu
Publisher : Frontiers Media SA
ISBN 13 : 2889713008
Total Pages : 116 pages
Book Rating : 4.8/5 (897 download)

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Book Synopsis Advances in Density Functional Theory and Beyond for Computational Chemistry by : Wei Hu

Download or read book Advances in Density Functional Theory and Beyond for Computational Chemistry written by Wei Hu and published by Frontiers Media SA. This book was released on 2021-09-13 with total page 116 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Bimetallic Nanostructures

Author : Ya-Wen Zhang
Publisher : John Wiley & Sons
ISBN 13 : 1119214645
Total Pages : 521 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Bimetallic Nanostructures by : Ya-Wen Zhang

Download or read book Bimetallic Nanostructures written by Ya-Wen Zhang and published by John Wiley & Sons. This book was released on 2018-08-06 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

SciDAC 2007

Author :
Publisher :
ISBN 13 :
Total Pages : 1396 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis SciDAC 2007 by :

Download or read book SciDAC 2007 written by and published by . This book was released on 2007 with total page 1396 pages. Available in PDF, EPUB and Kindle. Book excerpt:

International Conference on Metals in Solution

Author : Pierre Damay
Publisher :
ISBN 13 :
Total Pages : 412 pages
Book Rating : 4.:/5 (42 download)

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Book Synopsis International Conference on Metals in Solution by : Pierre Damay

Download or read book International Conference on Metals in Solution written by Pierre Damay and published by . This book was released on 1991 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Scientific and Technical Aerospace Reports

Author :
Publisher :
ISBN 13 :
Total Pages : 960 pages
Book Rating : 4.:/5 (319 download)

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Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1989 with total page 960 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemical Abstracts

Author :
Publisher :
ISBN 13 :
Total Pages : 2540 pages
Book Rating : 4.3/5 (91 download)

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Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2540 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Liquids

Author :
Publisher :
ISBN 13 :
Total Pages : 932 pages
Book Rating : 4.:/5 (41 download)

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Book Synopsis Liquids by :

Download or read book Liquids written by and published by . This book was released on 1991 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Treatise on Process Metallurgy

Author : Roderick Guthrie
Publisher : Elsevier
ISBN 13 : 0323859607
Total Pages : 818 pages
Book Rating : 4.3/5 (238 download)

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Book Synopsis Treatise on Process Metallurgy by : Roderick Guthrie

Download or read book Treatise on Process Metallurgy written by Roderick Guthrie and published by Elsevier. This book was released on 2024-01-25 with total page 818 pages. Available in PDF, EPUB and Kindle. Book excerpt: Treatise on Process Metallurgy: Volume One, Process Fundamentals provides academics with the fundamentals of the manufacturing of metallic materials, from raw materials into finished parts or products. In these fully updated volumes, coverage is expanded into four volumes, including Process Fundamentals, encompassing process fundamentals, structure and properties of matter; thermodynamic aspects of process metallurgy, and rate phenomena in process metallurgy; Processing Phenomena, encompassing interfacial phenomena in high temperature metallurgy, metallurgical process phenomena, and metallurgical process technology; Metallurgical Processes, encompassing mineral processing, aqueous processing, electrochemical material and energy processes, and iron and steel technology, non-ferrous process principles and production technologies, and more. The work distills the combined academic experience from the principal editor and the multidisciplinary four-member editorial board. Provides the entire breadth of process metallurgy in a single work Includes in-depth knowledge in all key areas of process metallurgy Approaches the topic from an interdisciplinary perspective, providing broad range coverage on topics

Choice

Author :
Publisher :
ISBN 13 :
Total Pages : 344 pages
Book Rating : 4.:/5 (321 download)

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Download or read book Choice written by and published by . This book was released on 1973 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Gaussian Approximation Potential

Author : Albert Bartók-Pártay
Publisher : Springer Science & Business Media
ISBN 13 : 364214067X
Total Pages : 96 pages
Book Rating : 4.6/5 (421 download)

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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.

Metastable Alloys

Author : K. Samwer
Publisher : North Holland
ISBN 13 :
Total Pages : 684 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Metastable Alloys by : K. Samwer

Download or read book Metastable Alloys written by K. Samwer and published by North Holland. This book was released on 1989 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains most of the papers presented at symposium D, one of the four symposia that formed the 1988 Strasbourg Spring Conference. The three day programme consisted of nine oral sessions; a poster session and a plenary talk giving an overview of current topics in hard magnetic materials. Scientists involved in basic as well as applied research concentrated their discussions on the fundamental processes relevant for the formation of metastable alloys such as amorphous alloys (metallic glasses), microcrystalline, quasicrystalline and nanocrystalline alloys and their applications. These materials are proving to be of considerable interest to research workers because of their possible application in the electronics industry, e.g. as diffusion barriers in devices or as data storage media.

Diffusion Data

Author :
Publisher :
ISBN 13 :
Total Pages : 348 pages
Book Rating : 4.7/5 (738 download)

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Book Synopsis Diffusion Data by :

Download or read book Diffusion Data written by and published by . This book was released on 1973 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Energy Research Abstracts

Author :
Publisher :
ISBN 13 :
Total Pages : 1684 pages
Book Rating : 4.U/5 (183 download)

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Download or read book Energy Research Abstracts written by and published by . This book was released on 1988 with total page 1684 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Materials Transactions

Author :
Publisher :
ISBN 13 :
Total Pages : 790 pages
Book Rating : 4.:/5 (318 download)

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Book Synopsis Materials Transactions by :

Download or read book Materials Transactions written by and published by . This book was released on 2001 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Fundamentals of Solidification 5th edition with Solutions Manual

Author : Wilfried Kurz
Publisher : Trans Tech Publications Ltd
ISBN 13 : 3036413588
Total Pages : 436 pages
Book Rating : 4.0/5 (364 download)

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Book Synopsis Fundamentals of Solidification 5th edition with Solutions Manual by : Wilfried Kurz

Download or read book Fundamentals of Solidification 5th edition with Solutions Manual written by Wilfried Kurz and published by Trans Tech Publications Ltd. This book was released on 2023-08-23 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the 4th 1998 edition, there have been numerous crucial advances to the modelling and the basic understanding of solidification phenomena, and with its linking to experimental results. These topics have been incorporated into this 5th Fully Revised Edition, as well as a new final chapter on microstructure selection which explains how to combine the concepts of the preceding chapters for modelling real microstructures, in complex processes such as additive manufacturing. This new 5th edition is of high interest to undergraduate and graduate levels and professionals. With its numerous new topics - also borne out by the new authorship - students and teachers, scientists and engineers will greatly benefit from this new book. The topics are presented in the same praised manner as in previous editions, readable at three levels: - an initial feel for the subject is obtained by consulting the figures and their detailed captions; - a deeper understanding of the underlying physics is found by working through the main text; - 15 appendices offer a detailed analysis of the various theories, by providing detailed derivations of the relevant equations. Particularly Novel: the final chapter 8 on microstructure-selection explains how to combine the concepts of the preceding chapters to model the real microstructures formed during complex processes such as additive manufacturing, and the new detailed phase-field appendix which opens the door to the accurate computer-modelling of growth-forms. This edition goes with a companion Solutions Manual offering model solutions to 133 problems (exercises).

Fundamentals of Solidification 5th Edition

Author : Wilfried Kurz
Publisher : Trans Tech Publications Ltd
ISBN 13 : 3036410155
Total Pages : 348 pages
Book Rating : 4.0/5 (364 download)

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Book Synopsis Fundamentals of Solidification 5th Edition by : Wilfried Kurz

Download or read book Fundamentals of Solidification 5th Edition written by Wilfried Kurz and published by Trans Tech Publications Ltd. This book was released on 2023-02-20 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the 4th 1998 edition, there have been numerous crucial advances to the modelling and the basic understanding of solidification phenomena, and with its linking to experimental results. These topics have been incorporated into this 5th Fully Revised Edition, as well as a new final chapter on microstructure selection which explains how to combine the concepts of the preceding chapters for modelling real microstructures, in complex processes such as additive manufacturing. With its numerous new topics - also borne out by the new authorship - students and teachers, scientists and engineers will greatly benefit from this new book. The topics are presented in the same praised manner as in previous editions, readable at three levels: - an initial feel for the subject is obtained by consulting the figures and their detailed captions; - a deeper understanding of the underlying physics is found by working through the main text; - 15 appendices offer a detailed analysis of the various theories, by providing detailed derivations of the relevant equations. Particularly Novel: the final chapter 8 on microstructure-selection explains how to combine the concepts of the preceding chapters to model the real microstructures formed during complex processes such as additive manufacturing, and the new detailed phase-field appendix which opens the door to the accurate computer-modelling of growth-forms. This new 5th edition is of high interest to undergraduate and graduate levels and professionals. For orders you are welcome to download the Order Form.