A Quantum Approach to Alloy Design Book

A Quantum Approach to Alloy Design


  • Author : Masahiko Morinaga
  • Publisher : Elsevier
  • Release Date : 2018-11-16
  • Genre: Technology & Engineering
  • Pages : 288
  • ISBN 10 : 9780128147078

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A Quantum Approach to Alloy Design Excerpt :

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  Book

Special Issue of the Manufacturing Engineering Society 2019 SIMES 2019


  • Author : Eva M. Rubio
  • Publisher : MDPI
  • Release Date : 2021-01-06
  • Genre: Technology & Engineering
  • Pages : 184
  • ISBN 10 : 9783039436217

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Special Issue of the Manufacturing Engineering Society 2019 SIMES 2019 Excerpt :

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.

Operation  Maintenance  and Repair of Land Based Gas Turbines Book

Operation Maintenance and Repair of Land Based Gas Turbines


  • Author : Hiyam Farhat
  • Publisher : Elsevier
  • Release Date : 2021-06-16
  • Genre: Technology & Engineering
  • Pages : 276
  • ISBN 10 : 9780128218358

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Operation Maintenance and Repair of Land Based Gas Turbines Excerpt :

Operation, Maintenance, and Repair of Land-Based Gas Turbines provides a toolkit for practitioners seeking to make technoeconomic decisions on life extension of power turbine equipment. The work describes essential degradation modes affecting critical components and proven methods of restoration. Sections discuss key elements of life extensions for aging units and components, together with critical reviews of available methodologies. Coverage includes advanced nondestructive testing methods essential for effective life extension programs, including lessons learned from firsthand experience working with multiple machine designs, classes and operating conditions. The final sections cover a body of solutions intended to refocus ORM processes on overcoming the shortfalls caused by volatilities and system restructuring. Reviews best practices for practitioners seeking to make decisions on gas turbine maintenance, repair and operations Analyzes components and major sections in terms of functionality, critical features, residual properties and service caused damages Explains the applicability and limitations of special processes and advanced non-destructive testing methods

Metallurgy and Design of Alloys with Hierarchical Microstructures Book

Metallurgy and Design of Alloys with Hierarchical Microstructures


  • Author : Krishnan K. Sankaran
  • Publisher : Elsevier
  • Release Date : 2017-06-14
  • Genre: Technology & Engineering
  • Pages : 506
  • ISBN 10 : 9780128120255

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Metallurgy and Design of Alloys with Hierarchical Microstructures Excerpt :

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

Alloy Phase Stability Book

Alloy Phase Stability


  • Author : G.M. Stocks
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-12-06
  • Genre: Science
  • Pages : 672
  • ISBN 10 : 9789400909151

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Alloy Phase Stability Excerpt :

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.

High Entropy Alloys Book

High Entropy Alloys


  • Author : T.S. Srivatsan
  • Publisher : CRC Press
  • Release Date : 2020-07-21
  • Genre: Technology & Engineering
  • Pages : 734
  • ISBN 10 : 9781000046977

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High Entropy Alloys Excerpt :

This book provides a cohesive overview of innovations, advances in processing and characterization, and applications for high entropy alloys (HEAs) in performance-critical and non-performance-critical sectors. It covers manufacturing and processing, advanced characterization and analysis techniques, and evaluation of mechanical and physical properties. With chapters authored by a team of internationally renowned experts, the volume includes discussions on high entropy thermoelectric materials, corrosion and thermal behavior of HEAs, improving fracture resistance, fatigue properties and high tensile strength of HEAs, HEA films, and more. This work will be of interest to academics, scientists, engineers, technologists, and entrepreneurs working in the field of materials and metals development for advanced applications. Features Addresses a broad spectrum of HEAs and related aspects, including manufacturing, processing, characterization, and properties Emphasizes the application of HEAs Aimed at researchers, engineers, and scientists working to develop materials for advanced applications T.S. Srivatsan, PhD, Professor of Materials Science and Engineering in the Department of Mechanical Engineering at the University of Akron (Ohio, USA), earned his MS in Aerospace Engineering in 1981 and his PhD in Mechanical Engineering in 1984 from the Georgia Institute of Technology (USA). He has authored or edited 65 books, delivered over 200 technical presentations, and authored or co-authored more than 700 archival publications in journals, book chapters, book reviews, proceedings of conferences, and technical reports. His RG score is 45 with a h-index of 53 and Google Scholar citations of 9000, ranking him to be among the top 2% of researchers in the world. He is a Fellow of (i) the American Society for Materials International, (ii) the American Society of Mechanical Engineers, and (iii) the American Association for Advancement of Science. Manoj Gupta, PhD, is Associate Professor

Advanced Materials  93 Book

Advanced Materials 93


  • Author : T Matsumoto
  • Publisher : Newnes
  • Release Date : 2012-12-02
  • Genre: Technology & Engineering
  • Pages : 744
  • ISBN 10 : 9780444601155

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Advanced Materials 93 Excerpt :

Computations, Glassy Materials, Microgravity and Non-Destructive Testing is a compilation of the papers presented during the Third IUMRS International Conference on Advanced Materials International Union of The Materials Research Societies that discussed the concepts and methods behind glassy materials. The book is divided into parts. Part 1 tackles the progresses in sol-gel science and technology; the reaction mechanisms of ormosils and effects of ultrasonic irradiation; and the preparation of different glasses and their properties. Part 2 covers topics such as the neural network system for the identification of materials; the use of computers for simulations of many-body systems; computer system for meeting the supercomputing needs of materials; quality control of materials information by knowledge base; and the development of knowledgebase system for computer-assisted alloy design. Part 3 deals with the properties of different materials, the concepts, and the techniques behind them, and Part 4 discusses the non-destructive evaluation. The text is recommended for chemists and engineers in the field of materials science, especially those who wish to know more about the progress in its field of research.

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties in Intermetallics Book

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties in Intermetallics


  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1992
  • Genre: Uncategoriezed
  • Pages : 15
  • ISBN 10 : OCLC:227780516

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Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties in Intermetallics Excerpt :

The primary goal of the proposed research is to study and develop alloying concepts for understanding intermetallic alloys as derived from a first principles quantum mechanical approach. Thus, a major part of our effort will be to study and determine ductilizing effects of alloying elements in several intermetallic compounds and to work closely with experimental efforts to evaluate the applicability of the theoretical approach to alloy design. Specifically, highly precise all-electron quantum mechanical electronic structure methods will be applied to the study of a number of materials problems in order to obtain from first principles information of relevance to alloy stability and the design of structural materials. Using our recently developed state-of-the-art all-electron self-consistent total energy methods which give precise solutions of the local density equations, fundamental information will be sought about the structural and electronic properties of these alloys in order to predict stable and metastable phases and how alloying affects bonding, crystal ordering and crystal symmetry. The first principles approach used here will address questions of a metallurgical nature, such as phase stability, crystal structure, equilibrium lattice constants, and mechanical properties including the effect of atomic relaxation. The proposed research seeks to explore a new capability for modeling materials and their properties on the computer which have not yet been made in practice.

Computational Quantum Mechanics for Materials Engineers Book

Computational Quantum Mechanics for Materials Engineers


  • Author : Levente Vitos
  • Publisher : Springer Science & Business Media
  • Release Date : 2007-08-10
  • Genre: Technology & Engineering
  • Pages : 237
  • ISBN 10 : 9781846289514

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Computational Quantum Mechanics for Materials Engineers Excerpt :

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.

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties of Intermetallics Book

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties of Intermetallics


  • Author : Arthur J. Freeman
  • Publisher : Unknown
  • Release Date : 1990
  • Genre: Uncategoriezed
  • Pages : 21
  • ISBN 10 : OCLC:227768043

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Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties of Intermetallics Excerpt :

The primary goal of the proposed research was to study and develop alloying concepts for understanding intermetallic alloys as derived from a first principles quantum mechanical approach. Thus, a major part of our effort will be to study and determine ductilizing effects of alloying elements in several intermetallic compounds and to work closely with experimental efforts to evaluate the applicability of the theoretical approach to alloy design. Specifically, highly precise all-electron quantum mechanical electronic structure methods will be applied to the study of a number of materials problems in order to obtain from first principles information of relevance to alloy stability and design of structural materials. Using state-of-the-art all-electron self-consistent total energy methods which give precise solutions of the local density equations, fundamental information will be sought about the structural and electronic properties of these alloys in order to predict stable and metastable phases and how alloying effects bonding, crystal ordering and crystal symmetry. The first principles approach used here will address questions of a metallurgical nature, such as phase stability, crystal structure, equilibrium lattice constants, and mechanical properties. For the ordered compounds, tailoring the chemistry of these alloys to obtain higher symmetry (and thus more ductile crystalline phases is extremely important. The proposed research seeks to explore a new capability for modeling materials and their properties on the computer which have not yet been made in practice.

Computational Materials Program for Alloy Design Book

Computational Materials Program for Alloy Design


  • Author : National Aeronautics and Space Administration (NASA)
  • Publisher : Createspace Independent Publishing Platform
  • Release Date : 2018-06-24
  • Genre: Uncategoriezed
  • Pages : 34
  • ISBN 10 : 1721786880

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Computational Materials Program for Alloy Design Excerpt :

The research program sponsored by this grant, "Computational Materials Program for Alloy Design", covers a period of time of enormous change in the emerging field of computational materials science. The computational materials program started with the development of the BFS method for alloys, a quantum approximate method for atomistic analysis of alloys specifically tailored to effectively deal with the current challenges in the area of atomistic modeling and to support modern experimental programs. During the grant period, the program benefited from steady growth which, as detailed below, far exceeds its original set of goals and objectives. Not surprisingly, by the end of this grant, the methodology and the computational materials program became an established force in the materials communitiy, with substantial impact in several areas. Major achievements during the duration of the grant include the completion of a Level 1 Milestone for the HITEMP program at NASA Glenn, consisting of the planning, development and organization of an international conference held at the Ohio Aerospace Institute in August of 2002, finalizing a period of rapid insertion of the methodology in the research community worlwide. The conference, attended by citizens of 17 countries representing various fields of the research community, resulted in a special issue of the leading journal in the area of applied surface science. Another element of the Level 1 Milestone was the presentation of the first version of the Alloy Design Workbench software package, currently known as "adwTools". This software package constitutes the first PC-based piece of software for atomistic simulations for both solid alloys and surfaces in the market.Dissemination of results and insertion in the materials community worldwide was a primary focus during this period. As a result, the P.I. was responsible for presenting 37 contributed talks, 19 invited talks, and publishing 71 articles in peer-revie

Electron Theory in Alloy Design Book

Electron Theory in Alloy Design


  • Author : David G. Pettifor
  • Publisher : Maney Pub
  • Release Date : 1992
  • Genre: Technology & Engineering
  • Pages : 311
  • ISBN 10 : UOM:39015025172712

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Electron Theory in Alloy Design Excerpt :

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.

Applied Computational Materials Modeling Book

Applied Computational Materials Modeling


  • Author : Guillermo Bozzolo
  • Publisher : Springer Science & Business Media
  • Release Date : 2007-12-19
  • Genre: Technology & Engineering
  • Pages : 491
  • ISBN 10 : 9780387345659

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Applied Computational Materials Modeling Excerpt :

The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.

Materials Science and Engineering for the 1990s Book

Materials Science and Engineering for the 1990s


  • Author : National Research Council
  • Publisher : National Academies Press
  • Release Date : 1989-02-01
  • Genre: Technology & Engineering
  • Pages : 320
  • ISBN 10 : 9780309039284

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Materials Science and Engineering for the 1990s Excerpt :

Materials science and engineering (MSE) contributes to our everyday lives by making possible technologies ranging from the automobiles we drive to the lasers our physicians use. Materials Science and Engineering for the 1990s charts the impact of MSE on the private and public sectors and identifies the research that must be conducted to help America remain competitive in the world arena. The authors discuss what current and future resources would be needed to conduct this research, as well as the role that industry, the federal government, and universities should play in this endeavor.