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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 : 2021-06-25
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

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.

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

Quantum Mechanical Approach to Understanding Micro Structural and Mechanical Properties of Intermetallics Book
Author : Anonim
Publisher : Unknown
Release : 1995
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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 was 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 were applied to the study of a number of materials problems in order to obtain from first principles information of relevance to alloy stability on the design of structural materials. Using our recently developed state-of-the-art all-electron self-consistent total energy methods which gives precise solutions of the local density equations, fundamental information was 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 addresses questions of a metallurgical nature, such as phase stability, crystal structure, equilibrium lattice constants and mechanical properties including the effect of atomic relaxation.

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).

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties of Intermetallics

Quantum Mechanical Approach to Understanding Microstructural and Mechanical Properties of Intermetallics Book
Author : Arthur J. Freeman,NORTHWESTERN UNIV EVANSTON IL DEPT OF PHYSICS AND ASTRONOMY.
Publisher : Unknown
Release : 1990
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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.

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.

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

Electron Theory in Alloy Design

Electron Theory in Alloy Design Book
Author : David G. Pettifor,Alan Cottrell
Publisher : Maney Pub
Release : 1992
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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.

Scientific and Technical Aerospace Reports

Scientific and Technical Aerospace Reports Book
Author : Anonim
Publisher : Unknown
Release : 1992
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Scientific and Technical Aerospace Reports book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

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.

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 : 2007-01-29
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.

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.

Government Reports Announcements Index

Government Reports Announcements   Index Book
Author : Anonim
Publisher : Unknown
Release : 1989
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Government Reports Announcements Index book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

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.

New Ternary Alloy Systems for Infrared Detectors

New Ternary Alloy Systems for Infrared Detectors Book
Author : Antoni Rogalski
Publisher : SPIE Press
Release : 1994
ISBN : 9780819415837
Language : En, Es, Fr & De

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Book Description :

Download New Ternary Alloy Systems for Infrared Detectors book written by Antoni Rogalski, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Alloy Phase Stability and Design Volume 186

Alloy Phase Stability and Design  Volume 186 Book
Author : G. Malcolm Stocks,David P. Pope,Anthony F. Giamei
Publisher : Materials Research Society
Release : 1991
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.

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.