Prediction And Study Of Binary Alloys Using First Principles Methods

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Prediction and Calculation of Crystal Structures

Author : Sule Atahan-Evrenk
Publisher : Springer
ISBN 13 : 331905774X
Total Pages : 299 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Prediction and Calculation of Crystal Structures by : Sule Atahan-Evrenk

Download or read book Prediction and Calculation of Crystal Structures written by Sule Atahan-Evrenk and published by Springer. This book was released on 2014-05-06 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

First-Principles Prediction of Structures and Properties in Crystals

Author : Dominik Kurzydlowsk
Publisher : MDPI
ISBN 13 : 3039216708
Total Pages : 128 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis First-Principles Prediction of Structures and Properties in Crystals by : Dominik Kurzydlowsk

Download or read book First-Principles Prediction of Structures and Properties in Crystals written by Dominik Kurzydlowsk and published by MDPI. This book was released on 2019-10-25 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.

Complex Concentrated Alloys (CCAs)

Author : Sundeep Mukherjee
Publisher : MDPI
ISBN 13 : 3039434748
Total Pages : 278 pages
Book Rating : 4.0/5 (394 download)

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Book Synopsis Complex Concentrated Alloys (CCAs) by : Sundeep Mukherjee

Download or read book Complex Concentrated Alloys (CCAs) written by Sundeep Mukherjee and published by MDPI. This book was released on 2020-11-04 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of several unique articles on the current state of research on complex concentrated alloys, as well as their compelling future opportunities in wide ranging applications. Complex concentrated alloys consist of multiple principal elements and represent a new paradigm in structural alloy design. They show a range of exceptional properties that are unachievable in conventional alloys, including high strength–ductility combination, resistance to oxidation, corrosion/wear resistance, and excellent high-temperature properties. The research articles, reviews, and perspectives are intended to provide a wholistic view of this multidisciplinary subject of interest to scientists and engineers.

High-Entropy Materials: Theory, Experiments, and Applications

Author : Jamieson Brechtl
Publisher : Springer Nature
ISBN 13 : 3030776417
Total Pages : 776 pages
Book Rating : 4.0/5 (37 download)

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Book Synopsis High-Entropy Materials: Theory, Experiments, and Applications by : Jamieson Brechtl

Download or read book High-Entropy Materials: Theory, Experiments, and Applications written by Jamieson Brechtl and published by Springer Nature. This book was released on 2022-01-03 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses fundamental studies involving the history, modelling, simulation, experimental work, and applications on high-entropy materials. Topics include data-driven and machine-learning approaches, additive-manufacturing techniques, computational and analytical methods, such as density functional theory and multifractal analysis, mechanical behavior, high-throughput methods, and irradiation effects. The types of high-entropy materials consist of alloys, oxides, and ceramics. The book then concludes with a discussion on potential future applications of these novel materials.

High-Entropy Alloys

Author : Michael C. Gao
Publisher : Springer
ISBN 13 : 3319270133
Total Pages : 524 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis High-Entropy Alloys by : Michael C. Gao

Download or read book High-Entropy Alloys written by Michael C. Gao and published by Springer. This book was released on 2016-04-27 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a systematic and comprehensive description of high-entropy alloys (HEAs). The authors summarize key properties of HEAs from the perspective of both fundamental understanding and applications, which are supported by in-depth analyses. The book also contains computational modeling in tackling HEAs, which help elucidate the formation mechanisms and properties of HEAs from various length and time scales.

Advances in High-Entropy Alloys

Author : Jiro Kitagawa
Publisher : BoD – Books on Demand
ISBN 13 : 1838810781
Total Pages : 156 pages
Book Rating : 4.8/5 (388 download)

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Book Synopsis Advances in High-Entropy Alloys by : Jiro Kitagawa

Download or read book Advances in High-Entropy Alloys written by Jiro Kitagawa and published by BoD – Books on Demand. This book was released on 2021-09-22 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-entropy alloys (HEAs) are a new class of materials attracting attention from researchers all over the world. This book provides a comprehensive overview of the research on HEAs, as well as discusses the mechanical, physical, and chemical properties of new HEAs and their potential applications. Chapters cover such topics as HEA superconductors, HEA composites, high-entropy superalloys, artificial intelligence in HEA design, and more.

Energy Research Abstracts

Author :
Publisher :
ISBN 13 :
Total Pages : 486 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Energy Research Abstracts by :

Download or read book Energy Research Abstracts written by and published by . This book was released on 1994-11 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt:

High Entropy Alloys

Author : T.S. Srivatsan
Publisher : CRC Press
ISBN 13 : 1000046974
Total Pages : 625 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis High Entropy Alloys by : T.S. Srivatsan

Download or read book High Entropy Alloys written by T.S. Srivatsan and published by CRC Press. This book was released on 2020-07-21 with total page 625 pages. Available in PDF, EPUB and Kindle. Book 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 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.

Scientific and Technical Aerospace Reports

Author :
Publisher :
ISBN 13 :
Total Pages : 602 pages
Book Rating : 4.:/5 (3 download)

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Book Synopsis Scientific and Technical Aerospace Reports by :

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Metallic Alloys in Medical Applications

Author : Liqiang Wang
Publisher : Frontiers Media SA
ISBN 13 : 2832505503
Total Pages : 158 pages
Book Rating : 4.8/5 (325 download)

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Book Synopsis Metallic Alloys in Medical Applications by : Liqiang Wang

Download or read book Metallic Alloys in Medical Applications written by Liqiang Wang and published by Frontiers Media SA. This book was released on 2022-11-14 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt:

New Materials and Processes

Author : Wen Zhe Chen
Publisher : Trans Tech Publications Ltd
ISBN 13 : 3038138045
Total Pages : 2682 pages
Book Rating : 4.0/5 (381 download)

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Book Synopsis New Materials and Processes by : Wen Zhe Chen

Download or read book New Materials and Processes written by Wen Zhe Chen and published by Trans Tech Publications Ltd. This book was released on 2012-02-27 with total page 2682 pages. Available in PDF, EPUB and Kindle. Book excerpt: Selected, peer reviewed papers from the 3rd international Conference on Manufacturing Science and Engineering (ICMSE 2012), March 27-29, 2012, Xiamen, China

Research in Materials

Author : Massachusetts Institute of Technology
Publisher :
ISBN 13 :
Total Pages : 382 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis Research in Materials by : Massachusetts Institute of Technology

Download or read book Research in Materials written by Massachusetts Institute of Technology and published by . This book was released on 1996 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dissertation Abstracts International

Author :
Publisher :
ISBN 13 :
Total Pages : 842 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Dissertation Abstracts International by :

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2005 with total page 842 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Proceedings of the 13th World Conference on Titanium

Author : Vasisht Venkatesh
Publisher : John Wiley & Sons
ISBN 13 : 1119296110
Total Pages : 4024 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Proceedings of the 13th World Conference on Titanium by : Vasisht Venkatesh

Download or read book Proceedings of the 13th World Conference on Titanium written by Vasisht Venkatesh and published by John Wiley & Sons. This book was released on 2016-04-26 with total page 4024 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the Proceedings of the 13th World Conference on Titanium.

Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications

Author : Management Association, Information Resources
Publisher : IGI Global
ISBN 13 : 1522517995
Total Pages : 1837 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications by : Management Association, Information Resources

Download or read book Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications written by Management Association, Information Resources and published by IGI Global. This book was released on 2017-01-11 with total page 1837 pages. Available in PDF, EPUB and Kindle. Book excerpt: The design and study of materials is a pivotal component to new discoveries in the various fields of science and technology. By better understanding the components and structures of materials, researchers can increase its applications across different industries. Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications is a compendium of the latest academic material on investigations, technologies, and techniques pertaining to analyzing the synthesis and design of new materials. Through its broad and extensive coverage on a variety of crucial topics, such as nanomaterials, biomaterials, and relevant computational methods, this multi-volume work is an essential reference source for engineers, academics, researchers, students, professionals, and practitioners seeking innovative perspectives in the field of materials science and engineering.

Data-Mining and Intermetallic Property-Prediction

Author : David J. Fisher
Publisher : Materials Research Forum LLC
ISBN 13 : 164490201X
Total Pages : 112 pages
Book Rating : 4.6/5 (449 download)

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Book Synopsis Data-Mining and Intermetallic Property-Prediction by : David J. Fisher

Download or read book Data-Mining and Intermetallic Property-Prediction written by David J. Fisher and published by Materials Research Forum LLC. This book was released on 2022-08-05 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using a computer-aided data mining approach and available experimental data bases, the author discusses the prediction of the structures and properties of intermetallic alloy compounds. The book references 252 original resources with their direct web links for in-depth reading. Keywords: Data-Mining, Intermetallic Compounds, Structure-Mapping, Clustering Methods, Free Energy, Energy Landscapes of Compounds, Stable Groupings of Atoms, Intermetallic Phases, Crystal Unit Cell Size, Platonic Solids, Symmetries, Stoichiometries, Stability Fields.

Comprehensive Nuclear Materials

Author :
Publisher : Elsevier
ISBN 13 : 0081028660
Total Pages : 4871 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Comprehensive Nuclear Materials by :

Download or read book Comprehensive Nuclear Materials written by and published by Elsevier. This book was released on 2020-07-22 with total page 4871 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials in a nuclear environment are exposed to extreme conditions of radiation, temperature and/or corrosion, and in many cases the combination of these makes the material behavior very different from conventional materials. This is evident for the four major technological challenges the nuclear technology domain is facing currently: (i) long-term operation of existing Generation II nuclear power plants, (ii) the design of the next generation reactors (Generation IV), (iii) the construction of the ITER fusion reactor in Cadarache (France), (iv) and the intermediate and final disposal of nuclear waste. In order to address these challenges, engineers and designers need to know the properties of a wide variety of materials under these conditions and to understand the underlying processes affecting changes in their behavior, in order to assess their performance and to determine the limits of operation. Comprehensive Nuclear Materials, Second Edition, Seven Volume Set provides broad ranging, validated summaries of all the major topics in the field of nuclear material research for fission as well as fusion reactor systems. Attention is given to the fundamental scientific aspects of nuclear materials: fuel and structural materials for fission reactors, waste materials, and materials for fusion reactors. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource of information. Most of the chapters from the first Edition have been revised and updated and a significant number of new topics are covered in completely new material. During the ten years between the two editions, the challenge for applications of nuclear materials has been significantly impacted by world events, public awareness, and technological innovation. Materials play a key role as enablers of new technologies, and we trust that this new edition of Comprehensive Nuclear Materials has captured the key recent developments. Critically reviews the major classes and functions of materials, supporting the selection, assessment, validation and engineering of materials in extreme nuclear environments Comprehensive resource for up-to-date and authoritative information which is not always available elsewhere, even in journals Provides an in-depth treatment of materials modeling and simulation, with a specific focus on nuclear issues Serves as an excellent entry point for students and researchers new to the field