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A Quantum Approach To Alloy Design

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A Quantum Approach to Alloy Design

A Quantum Approach to Alloy Design Book
Author : Masahiko Morinaga
Publisher : Elsevier
Release : 2018-11-16
ISBN : 0128147075
Language : En, Es, Fr & De

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Book Description :

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

Special Issue of the Manufacturing Engineering Society 2019  SIMES 2019  Book
Author : Eva M. Rubio,Ana M. Camacho
Publisher : MDPI
Release : 2021-01-06
ISBN : 303943621X
Language : En, Es, Fr & De

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Book Description :

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

Operation  Maintenance  and Repair of Land Based Gas Turbines Book
Author : Hiyam Farhat
Publisher : Elsevier
Release : 2021-06-16
ISBN : 0128218355
Language : En, Es, Fr & De

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Book Description :

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

Metallurgy and Design of Alloys with Hierarchical Microstructures Book
Author : Krishnan K. Sankaran,Rajiv S. Mishra
Publisher : Elsevier
Release : 2017-06-14
ISBN : 0128120258
Language : En, Es, Fr & De

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Book Description :

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

Alloy Phase Stability Book
Author : G.M. Stocks,A. Gonis
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 9400909152
Language : En, Es, Fr & De

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Book Description :

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.

Applied Computational Materials Modeling

Applied Computational Materials Modeling Book
Author : Guillermo Bozzolo,Ronald D. Noebe,Phillip B. Abel
Publisher : Springer Science & Business Media
Release : 2007-12-19
ISBN : 0387345655
Language : En, Es, Fr & De

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Book Description :

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.

Scientific and Technical Aerospace Reports

Scientific and Technical Aerospace Reports Book
Author : Anonim
Publisher : Unknown
Release : 1995
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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.

High Entropy Alloys

High Entropy Alloys Book
Author : T.S. Srivatsan,Manoj Gupta
Publisher : CRC Press
Release : 2020-07-21
ISBN : 1000046974
Language : En, Es, Fr & De

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Book Description :

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 of Materials at NUS, Singapore. He is a former Head of Materials Division of the Mechanical Engineering Department and Director Designate of Materials Science and Engineering Initiative at NUS, Singapore. In August 2017, he was highlighted among the Top 1% Scientists of the World by the Universal Scientific Education and Research Network and in the Top 2.5% among scientists as per ResearchGate. In 2018, he was announced as World Academy Championship Winner in the area of Biomedical Sciences by the International Agency for Standards and Ratings. A multiple award winner, he actively collaborates/visits as an invited researcher and visiting and chair professor in Japan, France, Saudi Arabia, Qatar, China, the United States, and India.

Advanced Materials 93

Advanced Materials  93 Book
Author : T Matsumoto
Publisher : Newnes
Release : 2012-12-02
ISBN : 0444601155
Language : En, Es, Fr & De

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Book Description :

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.

Alloy Steel

Alloy Steel Book
Author : Eduardo Valencia Morales
Publisher : BoD – Books on Demand
Release : 2011-12-22
ISBN : 9533074841
Language : En, Es, Fr & De

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Book Description :

The sections in this book 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 microalloyed steels. The kinetics during tempering in low-alloy steels is also discussed through a new set-up that uses a modified Avrami formalism.

Advanced Engineering Materials and Modeling

Advanced Engineering Materials and Modeling Book
Author : Ashutosh Tiwari,N. Arul Murugan,Rajeev Ahuja
Publisher : John Wiley & Sons
Release : 2016-08-05
ISBN : 1119242517
Language : En, Es, Fr & De

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Book Description :

The engineering of materials with advanced features is driving the research towards the design of innovative materials with high performances. New materials often deliver the best solution for structural applications, precisely contributing towards the finest combination of mechanical properties and low weight. The mimicking of nature's principles lead to a new class of structural materials including biomimetic composites, natural hierarchical materials and smart materials. Meanwhile, computational modeling approaches are the valuable tools complementary to experimental techniques and provide significant information at the microscopic level and explain the properties of materials and their very existence. The modeling also provides useful insights to possible strategies to design and fabricate materials with novel and improved properties. The book brings together these two fascinating areas and offers a comprehensive view of cutting-edge research on materials interfaces and technologies the engineering materials. The topics covered in this book are divided into 2 parts: Engineering of Materials, Characterizations & Applications and Computational Modeling of Materials. The chapters include the following: Mechanical and resistance behavior of structural glass beams Nanocrystalline metal carbides - microstructure characterization SMA-reinforced laminated glass panel Sustainable sugarcane bagasse cellulose for papermaking Electrospun scaffolds for cardiac tissue engineering Bio-inspired composites Density functional theory for studying extended systems First principles based approaches for modeling materials Computer aided materials design Computational materials for stochastic electromagnets Computational methods for thermal analysis of heterogeneous materials Modelling of resistive bilayer structures Modeling tunneling of superluminal photons through Brain Microtubules Computer aided surgical workflow modeling Displaced multiwavelets and splitting algorithms

Corrosion Engineering

Corrosion Engineering Book
Author : Anonim
Publisher : Unknown
Release : 1993
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Corrosion Engineering book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Research Technology 2000

Research   Technology 2000 Book
Author : Anonim
Publisher : DIANE Publishing
Release : 2022-08-13
ISBN : 1428918221
Language : En, Es, Fr & De

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Book Description :

Download Research Technology 2000 book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Computational Quantum Mechanics for Materials Engineers

Computational Quantum Mechanics for Materials Engineers Book
Author : Levente Vitos
Publisher : Springer Science & Business Media
Release : 2007-08-10
ISBN : 1846289513
Language : En, Es, Fr & De

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Book Description :

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.

Frontiers in the Design of Materials

Frontiers in the Design of Materials Book
Author : Baldev Raj,S. Ranganathan,S.L. Mannan,K. Bhanu Sankara Rao,M.D. Matthew
Publisher : CRC Press
Release : 2007
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Contributed articles presented at the Symposium organized by Indian Institute of Metals.

Quantum Mechanical Approach to Understanding Structural Electronic and Mechanical Properties of Intermetallics

Quantum Mechanical Approach to Understanding Structural  Electronic and Mechanical Properties of Intermetallics Book
Author : Arthur J. Freeman,NORTHWESTERN UNIV EVANSTON IL DEPT OF PHYSICS AND ASTRONOMY.
Publisher : Unknown
Release : 1989
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Our primary goal is to study and develop alloying concepts for understanding intermetallic alloys as derived from a highly precise quantum mechanical approach. Thus, a major part of our effort is to study and determine ductilizing effects and to work closely with experimental efforts to evaluate the applicability of the theoretical approach to alloy design. Specifically we have studied a number of materials problems to obtain first principles information of relevance to alloy stability and design of structural materials. Fundamental information has been obtained about the structural and electronic properties in order to predict stable and metastable phases and how alloying affects bonding, crystal order and crystal symmetry. Our approach addresses 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 research seeks to explore a new capability for modelling materials and their properties on the computer which have not yet been made in practice. (mjm).

High Entropy Alloys

High Entropy Alloys Book
Author : B.S. Murty,Jien-Wei Yeh,S. Ranganathan,P. P. Bhattacharjee
Publisher : Elsevier
Release : 2019-03-16
ISBN : 0128160683
Language : En, Es, Fr & De

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Book Description :

High-Entropy Alloys, Second Edition provides a complete review of the current state of the field of high entropy alloys (HEA). Building upon the first edition, this fully updated release includes new theoretical understandings of these materials, highlighting recent developments on modeling and new classes of HEAs, such as Eutectic HEAs and Dual phase HEAs. Due to their unique properties, high entropy alloys have attracted considerable attention from both academics and technologists. This book presents the fundamental knowledge, the spectrum of various alloy systems and their characteristics, key focus areas, and the future scope of the field in terms of research and technological applications. Provides an up-to-date, comprehensive understanding on the current status of HEAs in terms of theoretical understanding and modeling efforts Gives a complete idea on alloy design criteria of various classes of HEAs developed so far Discusses the microstructure property correlations in HEAs in terms of structural and functional properties Presents a comparison of HEAs with other multicomponent systems, like intermetallics and bulk metallic glasses

Synthetic Process and Control of Functionality Materials

Synthetic Process and Control of Functionality Materials Book
Author : Teiji Tsuruta
Publisher : Elsevier Science Limited
Release : 1993
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Synthetic Process and Control of Functionality Materials book written by Teiji Tsuruta, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties in Intermetallics

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties in Intermetallics Book
Author : Anonim
Publisher : Unknown
Release : 1992
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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.

Statics and Dynamics of Alloy Phase Transformations

Statics and Dynamics of Alloy Phase Transformations Book
Author : Patrice E.A. Turchi,A. Gonis
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 1461524768
Language : En, Es, Fr & De

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Book Description :

The study of phase transformations in substitutional alloys, including order disorder phenomena and structural transformations, plays a crucial role in understanding the physical and mechanical properties of materials, and in designing alloys with desired technologically important characteristics. Indeed, most of the physical properties, including equilibrium properties, transport, magnetic, vibrational as well as mechanical properties of alloys are often controlled by and are highly sensitive to the existence of ordered compounds and to the occurrence of structural transformations. Correspondingly, the alloy designer facing the task of processing new high-performance materials with properties that meet specific industrial applications must answer the following question: What is the crystalline structure and the atomic configuration that an alloy may exhibit at given temperature and concentration? Usually the answer is sought in the phase-diagram of a relevant system that is often determined experimentally and does not provide insight to the underlying mechanisms driving phase stability. Because of the rather tedious and highly risky nature of developing new materials through conventional metallurgical techniques, a great deal of effort has been expended in devising methods for understanding the mechanisms contrOlling phase transformations at the microscopic level. These efforts have been bolstered through the development of fully ab initio, accurate theoretical models, coupled with the advent of new experimental methods and of powerful supercomputer capabilities.