Electronic Structure Methods For The Design Of Alloy Chemistry
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A Quantum Approach To Alloy Design
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Author : Masahiko Morinaga
language : en
Publisher: Elsevier
Release Date : 2018-11-16
A Quantum Approach To Alloy Design written by Masahiko Morinaga and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-11-16 with Technology & Engineering categories.
A Quantum Approach to Alloy Design: An Exploration of Material Design and Development Based Upon Alloy Design Theory and Atomization Energy Method presents a molecular orbital approach to alloy design that is based on electronic structure calculations using the DV-X alpha cluster method and new alloying parameters obtained from these calculations. Topics discussed include alloy properties, such as corrosion resistance, shape memory effect and super-elasticity that are treated by using alloying parameters in biomedical titanium alloys. This book covers various topics of not only metals and alloys, but also metal oxides, hydrides and even hydrocarbons. In addition, important alloy properties, such as strength, corrosion resistance, hydrogen storage and catalysis are treated in view of electron theory. Presents alloy design theory and the atomization-energy method and its use for the fundamental understanding of materials and materials design and development Discusses, for the first time, the atomization-energy analysis of the local lattice strains introduced around alloying elements in metals Illustrates a simplified approach to predict the structure and phases stability of new alloys/materials
Electronic Structure And Alloy Chemistry Of The Transition Elements
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Author : Metallurgical Society of AIME. Institute of Metals Division
language : en
Publisher:
Release Date : 1963
Electronic Structure And Alloy Chemistry Of The Transition Elements written by Metallurgical Society of AIME. Institute of Metals Division and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1963 with Chemistry categories.
Metal And Alloy Bonding An Experimental Analysis
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Author : R. Saravanan
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-09-20
Metal And Alloy Bonding An Experimental Analysis written by R. Saravanan and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-20 with Technology & Engineering categories.
Charge density analysis of materials provides a firm basis for the evaluation of the properties of materials. The design and engineering of a new combination of metals requires a firm knowledge of intermolecular features. Recent advances in technology and high-speed computation have made the crystal X-ray diffraction technique a unique tool for the determination of charge density distribution in molecular crystal. Methods have been developed to make experimental probes capable of unraveling the features of charge densities in the intra- and inter-molecular regions of crystal structures. In Metal and Alloy Bonding - An Experimental Analysis, the structural details of materials are elucidated with the X-ray diffraction technique. Analyses of the charge density and the local and average structure are given to reveal the structural properties of technologically important materials. Readers will gain a new understanding of the local and average structure of existing materials. The electron density, bonding, and charge transfer studies in Metal and Alloy Bonding - An Experimental Analysis contain useful information for researchers in the fields of physics, chemistry, materials science, and metallurgy. The properties described in these studies can contribute to the successful engineering of these technologically important materials.
Alloys And Intermetallic Compounds
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Author : Cristina Artini
language : en
Publisher: CRC Press
Release Date : 2017-07-12
Alloys And Intermetallic Compounds written by Cristina Artini and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-12 with Science categories.
This book focuses on the role of modeling in the design of alloys and intermetallic compounds. It includes an introduction to the most important and most used modeling techniques, such as CALPHAD and ab-initio methods, as well as a section devoted to the latest developments in applications of alloys. The book emphasizes the correlation between modeling and technological developments while discussing topics such as wettability of Ultra High Temperature Ceramics by metals, active brazing of diamonds to metals in cutting tools, surface issues in medicine, novel Fe-based superconductors, metallic glasses, high entropy alloys, and thermoelectric materials.
Electronic Structure Of Alloys Surfaces And Clusters
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Author : Abhijit Mookerjee
language : en
Publisher: CRC Press
Release Date : 2002-11-28
Electronic Structure Of Alloys Surfaces And Clusters written by Abhijit Mookerjee and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-11-28 with Technology & Engineering categories.
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
Electronic Structure Of Materials
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Author : Adrian P. Sutton
language : en
Publisher: Clarendon Press
Release Date : 1993-09-30
Electronic Structure Of Materials written by Adrian P. Sutton and has been published by Clarendon Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-09-30 with categories.
This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. - ;This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. -
Electronic Structure And Alloy Chemistry Of The Transition Elements
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Author : Paul A. Beck
language : en
Publisher:
Release Date : 1963
Electronic Structure And Alloy Chemistry Of The Transition Elements written by Paul A. Beck and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1963 with categories.
Computational Quantum Mechanics For Materials Engineers
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Author : Levente Vitos
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-08-10
Computational Quantum Mechanics For Materials Engineers written by Levente Vitos and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-10 with Technology & Engineering categories.
This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.
Electronic Structure And Alloy Chemistry Of The Transition Elements
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Author : Paul Adams Beck
language : en
Publisher:
Release Date : 1963
Electronic Structure And Alloy Chemistry Of The Transition Elements written by Paul Adams Beck and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1963 with Transition metals categories.
Electron Theory In Alloy Design
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Author : David G. Pettifor
language : en
Publisher: Routledge
Release Date : 1992
Electron Theory In Alloy Design written by David G. Pettifor and has been published by Routledge this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Science categories.