a quantum approach to alloy design

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A Quantum Approach to Alloy Design
Author : Masahiko Morinaga
Publisher : Elsevier
Release Date : 2018-11-16
ISBN 10 : 0128147075
Pages : 288 pages
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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

Special Issue of the Manufacturing Engineering Society 2019 (SIMES-2019)
Author : Eva M. Rubio,Ana M. Camacho
Publisher : MDPI
Release Date : 2021-01-06
ISBN 10 : 303943621X
Pages : 184 pages
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This Special Issue of the Manufacturing Engineering Society 2019 (SIMES-2019) has been launched as a joint issue of the journals Applied Sciences and Materials. The 10 contributions published in this Special Issue of Applied Sciences present cutting-edge advances in the field of manufacturing engineering, focusing on production planning, sustainability, metrology, cultural heritage, and materials processing, with experimental and numerical results. It is worth mentioning that the topic “production planning” has attracted a great number of contributions in this journal, due to their applicative approach.

Alloy Phase Stability
Author : G.M. Stocks,A. Gonis
Publisher : Springer Science & Business Media
Release Date : 2012-12-06
ISBN 10 : 9400909152
Pages : 672 pages
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One of the ultimate goals of materials research is to develop a fun damental and predictive understanding of the physical and metallurgical properties of metals and alloys. Such an understanding can then be used in the design of materials having novel properties or combinations of proper ties designed to meet specific engineering applications. The development of new and useful alloy systems and the elucidation of their properties are the domain of metallurgy. Traditionally, the search for new alloy systems has been conducted largely on a trial and error basis, guided by the skill and intuition of the metallurgist, large volumes of experimental data, the principles of 19th century thermodynamics and ad hoc semi-phenomenological models. Recently, the situation has begun to change. For the first time, it is possible to understand the underlying mechanisms that control the formation of alloys and determine their properties. Today theory can begin to offer guidance in predicting the properties of alloys and in developing new alloy systems. Historically, attempts directed toward understanding phase stability and phase transitions have proceeded along distinct and seemingly diverse lines. Roughly, we can divide these approaches into the following broad categories. 1. Experimental determination of phase diagrams and related properties, 2. Thermodynamic/statistical mechanical approaches based on semi phenomenological models, and 3. Ab initio quantum mechanical methods. Metallurgists have traditionally concentrated their efforts in cate gories 1 and 2, while theoretical physicists have been preoccupied with 2 and 3.

Metallurgy and Design of Alloys with Hierarchical Microstructures
Author : Krishnan K. Sankaran,Rajiv S. Mishra
Publisher : Elsevier
Release Date : 2017-06-14
ISBN 10 : 0128120258
Pages : 506 pages
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Metallurgy and Design of Alloys with Hierarchical Microstructures covers the fundamentals of processing-microstructure-property relationships and how multiple properties are balanced and optimized in materials with hierarchical microstructures widely used in critical applications. The discussion is based principally on metallic materials used in aircraft structures; however, because they have sufficiently diverse microstructures, the underlying principles can easily be extended to other materials systems. With the increasing microstructural complexity of structural materials, it is important for students, academic researchers and practicing engineers to possess the knowledge of how materials are optimized and how they will behave in service. The book integrates aspects of computational materials science, physical metallurgy, alloy design, process design, and structure-properties relationships, in a manner not done before. It fills a knowledge gap in the interrelationships of multiple microstructural and deformation mechanisms by applying the concepts and tools of designing microstructures for achieving combinations of engineering properties—such as strength, corrosion resistance, durability and damage tolerance in multi-component materials—used for critical structural applications. Discusses the science behind the properties and performance of advanced metallic materials Provides for the efficient design of materials and processes to satisfy targeted performance in materials and structures Enables the selection and development of new alloys for specific applications based upon evaluation of their microstructure as illustrated in this work

Scientific and Technical Aerospace Reports
Author : N.A
Publisher : N.A
Release Date : 1991
ISBN 10 :
Pages : 329 pages
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Electron Theory in Alloy Design
Author : David G. Pettifor,Alan Cottrell
Publisher : Maney Pub
Release Date : 1992
ISBN 10 :
Pages : 311 pages
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Presents recent developments in electron theory which have impacted upon the search for novel alloys with improved mechanical or magnetic properties. The ten chapters outline the ability of electron theory to make quantitative predictions (such as heats of formation, planar fault energies, shear moduli and magnetic anisotropy), and to provide simplifying concepts for understanding trends in alloy behaviour.

Corrosion Engineering
Author : N.A
Publisher : N.A
Release Date : 1993
ISBN 10 :
Pages : 329 pages
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Frontiers in the Design of Materials
Author : Baldev Raj,S. Ranganathan,S.L. Mannan,K. Bhanu Sankara Rao,M.D. Matthew
Publisher : CRC Press
Release Date : 2007-01-29
ISBN 10 :
Pages : 374 pages
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Contributed articles presented at the Symposium organized by Indian Institute of Metals.

Government Reports Announcements & Index
Author : N.A
Publisher : N.A
Release Date : 1992
ISBN 10 :
Pages : 329 pages
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Computational Quantum Mechanics for Materials Engineers
Author : Levente Vitos
Publisher : Springer Science & Business Media
Release Date : 2007-08-10
ISBN 10 : 1846289513
Pages : 237 pages
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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.

Additive Manufacturing Volume 2
Author : Prashanth Konda Gokuldoss,Zhi Wang
Publisher : MDPI
Release Date : 2020-04-15
ISBN 10 : 3039284142
Pages : 352 pages
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Additive manufacturing (AM) is one of the manufacturing processes that warrants the attention of industrialists, researchers and scientists, because of its ability to produce materials with a complex shape without theoretical restrictions and with added functionalities. There are several advantages to employing additive manufacturing as the primary additive manufacturing process. However, there exist several challenges that need to be addressed systematically. A couple such issues are alloy design and process development. Traditionally alloys designed for conventional cast/powder metallurgical processes were fabricated using advanced AM processes. This is the wrong approach considering that the alloys should be coined based on the process characteristics and meta-stable nature of the process. Hence, we must focus on alloy design and development for AM that suits the AM processes. The AM processes, however, improve almost every day, either in terms of processing capabilities or processing conditions. Hence, the processing part warrants a section that is devoted to these advancements and innovations. Accordingly, the present Special Issue (book) focuses on two aspects of alloy development and process innovations. Here, 45 articles are presented covering different AM processes including selective laser melting, electron beam melting, laser cladding, direct metal laser sintering, ultrasonic consolidation, wire arc additive manufacturing, and hybrid manufacturing. I believe that this Special Issue bears is vital to the field of AM and will be a valuable addition.

Metals Abstracts
Author : N.A
Publisher : N.A
Release Date : 1998
ISBN 10 :
Pages : 329 pages
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Materials Transactions, JIM.
Author : N.A
Publisher : N.A
Release Date : 1997-07
ISBN 10 :
Pages : 329 pages
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Shape Memory Alloy Actuators
Author : Mohammad H. Elahinia
Publisher : John Wiley & Sons
Release Date : 2016-01-19
ISBN 10 : 1118359445
Pages : 304 pages
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This book provides a systematic approach to realizing NiTi shape memory alloy actuation, and is aimed at science and engineering students who would like to develop a better understanding of the behaviors of SMAs, and learn to design, simulate, control, and fabricate these actuators in a systematic approach. Several innovative biomedical applications of SMAs are discussed. These include orthopedic, rehabilitation, assistive, cardiovascular, and surgery devices and tools. To this end unique actuation mechanisms are discussed. These include antagonistic bi-stable shape memory-superelastic actuation, shape memory spring actuation, and multi axial tension-torsion actuation. These actuation mechanisms open new possibilities for creating adaptive structures and biomedical devices by using SMAs.

Comprehensive Materials Processing
Author : N.A
Publisher : Newnes
Release Date : 2014-04-07
ISBN 10 : 0080965334
Pages : 5634 pages
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Comprehensive Materials Processing provides students and professionals with a one-stop resource consolidating and enhancing the literature of the materials processing and manufacturing universe. It provides authoritative analysis of all processes, technologies, and techniques for converting industrial materials from a raw state into finished parts or products. Assisting scientists and engineers in the selection, design, and use of materials, whether in the lab or in industry, it matches the adaptive complexity of emergent materials and processing technologies. Extensive traditional article-level academic discussion of core theories and applications is supplemented by applied case studies and advanced multimedia features. Coverage encompasses the general categories of solidification, powder, deposition, and deformation processing, and includes discussion on plant and tool design, analysis and characterization of processing techniques, high-temperatures studies, and the influence of process scale on component characteristics and behavior. Authored and reviewed by world-class academic and industrial specialists in each subject field Practical tools such as integrated case studies, user-defined process schemata, and multimedia modeling and functionality Maximizes research efficiency by collating the most important and established information in one place with integrated applets linking to relevant outside sources

Alloy Steel - Properties and Use
Author : Leroy Sidney
Publisher : N.A
Release Date : 2016-04-01
ISBN 10 : 9781681173115
Pages : 302 pages
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Alloy steel is steel that is alloyed with a variety of elements in total amounts between 1.0% and 50% by weight to improve its mechanical properties. Alloy steels are broken down into two groups: low-alloy steels and high-alloy steels. Most commonly, the phrase "alloy steel" refers to low-alloy steels. Alloy steels are made by combining carbon steel with one or several alloying elements, such as manganese, silicon, nickel, titanium, copper, chromium and aluminum. These metals are added to produce specific properties that are not found in regular carbon steel. The elements are added in varying proportions (or combinations) making the material take on different aspects such as increased hardness, increased corrosion resistance, increased strength, improved formability (ductility); the weldability can also change. Alloying elements are added to achieve certain properties in the material. As a guideline, alloying elements are added in lower percentages (less than 5%) to increase strength or hardenability, or in larger percentages (over 5%) to achieve special properties, such as corrosion resistance or extreme temperature stability. Manganese, silicon, or aluminum are added during the steelmaking process to remove dissolved oxygen, sulfur and phosphorus from the melt. Manganese, silicon, nickel, and copper are added to increase strength by forming solid solutions in ferrite. Chromium, vanadium, molybdenum, and tungsten increase strength by forming second-phase carbides. Nickel and copper improve corrosion resistance in small quantities. Molybdenum helps to resist embrittlement. Zirconium, cerium, and calcium increase toughness by controlling the shape of inclusions. Sulfur, in the form of manganese sulfide, lead, bismuth, selenium, and tellurium, increases mach inability. Alloying elements also have an effect on the eutectoid temperature of the steel. This book entitled Alloy Steel are devoted to new approaches and usages of stainless steels, the influence of the environments on the behavior of certain classes of steels, new structural concepts to understand some fatigue processes, new insight on strengthening mechanisms, and toughness in micro alloyed steels.

2D Semiconductor Materials and Devices
Author : Dongzhi Chi,K.E.Johnson Goh,Andrew T.S Wee
Publisher : Elsevier
Release Date : 2019-10-19
ISBN 10 : 0128165898
Pages : 338 pages
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2D Semiconductor Materials and Devices reviews the basic science and state-of-art technology of 2D semiconductor materials and devices. Chapters discuss the basic structure and properties of 2D semiconductor materials, including both elemental (silicene, phosphorene) and compound semiconductors (transition metal dichalcogenide), the current growth and characterization methods of these 2D materials, state-of-the-art devices, and current and potential applications. Reviews a broad range of emerging 2D electronic materials beyond graphene, including silicene, phosphorene and compound semiconductors Provides an in-depth review of material properties, growth and characterization aspects—topics that could enable applications Features contributions from the leading experts in the field

The Science and Engineering of Materials
Author : Donald R. Askeland,Frank Haddleton,Phil Green,Howard Robertson
Publisher : Springer
Release Date : 2013-11-11
ISBN 10 : 1489928952
Pages : 854 pages
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The Science and Engineering of Materials, Third Edition, continues the general theme of the earlier editions in providing an understanding of the relationship between structure, processing, and properties of materials. This text is intended for use by students of engineering rather than materials, at first degree level who have completed prerequisites in chemistry, physics, and mathematics. The author assumes these stu dents will have had little or no exposure to engineering sciences such as statics, dynamics, and mechanics. The material presented here admittedly cannot and should not be covered in a one-semester course. By selecting the appropriate topics, however, the instructor can emphasise metals, provide a general overview of materials, concentrate on mechani cal behaviour, or focus on physical properties. Additionally, the text provides the student with a useful reference for accompanying courses in manufacturing, design, or materials selection. In an introductory, survey text such as this, complex and comprehensive design problems cannot be realistically introduced because materials design and selection rely on many factors that come later in the student's curriculum. To introduce the student to elements of design, however, more than 100 examples dealing with materials selection and design considerations are included in this edition.

Uncertainty Quantification in Multiscale Materials Modeling
Author : Yan Wang,David L. McDowell
Publisher : Woodhead Publishing Limited
Release Date : 2020-03-12
ISBN 10 : 0081029411
Pages : 900 pages
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Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.

Physics Briefs
Author : N.A
Publisher : N.A
Release Date : 1991
ISBN 10 :
Pages : 329 pages
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