Computational Materials Design
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Computational Materials Design
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Author : Tetsuya Saito
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Computational Materials Design written by Tetsuya Saito and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
Computational Materials Design consists of ten chapters outlining a wide range of materials design technologies from first-principle calculations to continuum mechanics, with successful applications to materials design and development. Each theory is explained from the point of view of a relevant technology. Thus the reader can understand the outline of each theory and the effectiveness of computational approaches in terms of materials phenomena as well as materials design and development.
Computational Approaches To Materials Design Theoretical And Practical Aspects
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Author : Datta, Shubhabrata
language : en
Publisher: IGI Global
Release Date : 2016-06-16
Computational Approaches To Materials Design Theoretical And Practical Aspects written by Datta, Shubhabrata and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-16 with Technology & Engineering categories.
The development of new and superior materials is beneficial within industrial settings, as well as a topic of academic interest. By using computational modeling techniques, the probable application and performance of these materials can be easily evaluated. Computational Approaches to Materials Design: Theoretical and Practical Aspects brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Highlighting optimization tools and soft computing methods, this publication is a comprehensive collection for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in the field of materials engineering.
Computational Materials System Design
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Author : Dongwon Shin
language : en
Publisher: Springer
Release Date : 2017-11-10
Computational Materials System Design written by Dongwon Shin and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-10 with Technology & Engineering categories.
This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
Integrated Design Of Multiscale Multifunctional Materials And Products
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Author : David L. McDowell
language : en
Publisher: Butterworth-Heinemann
Release Date : 2009-09-30
Integrated Design Of Multiscale Multifunctional Materials And Products written by David L. McDowell and has been published by Butterworth-Heinemann this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-30 with Technology & Engineering categories.
Integrated Design of Multiscale, Multifunctional Materials and Products is the first of its type to consider not only design of materials, but concurrent design of materials and products. In other words, materials are not just selected on the basis of properties, but the composition and/or microstructure iw designed to satisfy specific ranged sets of performance requirements. This book presents the motivation for pursuing concurrent design of materials and products, thoroughly discussing the details of multiscale modeling and multilevel robust design and provides details of the design methods/strategies along with selected examples of designing material attributes for specified system performance. It is intended as a monograph to serve as a foundational reference for instructors of courses at the senior and introductory graduate level in departments of materials science and engineering, mechanical engineering, aerospace engineering and civil engineering who are interested in next generation systems-based design of materials. - First of its kind to consider not only design of materials, but concurrent design of materials and products - Treatment of uncertainty via robust design of materials - Integrates the "materials by design approach" of Olson/Ques Tek LLC with the "materials selection" approach of Ashby/Granta - Distinquishes the processes of concurrent design of materials and products as an overall systems design problem from the field of multiscale modeling - Systematic mathematical algorithms and methods are introduced for robust design of materials, rather than ad hoc heuristics--it is oriented towards a true systems approach to design of materials and products
Zentropy
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Author : Zi-Kui Liu
language : en
Publisher: CRC Press
Release Date : 2024-08-23
Zentropy written by Zi-Kui Liu and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-23 with Science categories.
This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.
Properties And Applications Of Complex Intermetallics
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Author : Esther Belin-ferre
language : en
Publisher: World Scientific
Release Date : 2009-08-11
Properties And Applications Of Complex Intermetallics written by Esther Belin-ferre and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-08-11 with Science categories.
Complex metal alloys (CMAs) comprise a huge group of largely unknown alloys and compounds, where many phases are formed with crystal structures based on giant unit cells containing atom clusters, ranging from tens of to more than thousand atoms per unit cell. In these phases, for many phenomena, the physical length scales are substantially smaller than the unit-cell dimension. Hence, these materials offer unique combinations of properties which are mutually exclusive in conventional materials, such as metallic electric conductivity combined with low thermal conductivity, good light absorption with high-temperature stability, high metallic hardness with reduced wetting by liquids, etc.This book is the second of a series of books issued yearly as a deliverable to the European Community of the School established within the European Network of Excellence CMA. Written by reputed experts in the fields of metal physics, surface physics, surface chemistry, metallurgy, and process engineering, this book brings together expertise found inside as well as outside the network to provide a comprehensive overview of the current state of knowledge in CMAs.
Artificial Intelligence Aided Materials Design
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Author : Rajesh Jha
language : en
Publisher: CRC Press
Release Date : 2022-03-15
Artificial Intelligence Aided Materials Design written by Rajesh Jha and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-03-15 with Technology & Engineering categories.
This book describes the application of artificial intelligence (AI)/machine learning (ML) concepts to develop predictive models that can be used to design alloy materials, including hard and soft magnetic alloys, nickel-base superalloys, titanium-base alloys, and aluminum-base alloys. Readers new to AI/ML algorithms can use this book as a starting point and use the MATLAB® and Python implementation of AI/ML algorithms through included case studies. Experienced AI/ML researchers who want to try new algorithms can use this book and study the case studies for reference. Offers advantages and limitations of several AI concepts and their proper implementation in various data types generated through experiments and computer simulations and from industries in different file formats Helps readers to develop predictive models through AI/ML algorithms by writing their own computer code or using resources where they do not have to write code Covers downloadable resources such as MATLAB GUI/APP and Python implementation that can be used on common mobile devices Discusses the CALPHAD approach and ways to use data generated from it Features a chapter on metallurgical/materials concepts to help readers understand the case studies and thus proper implementation of AI/ML algorithms under the framework of data-driven materials science Uses case studies to examine the importance of using unsupervised machine learning algorithms in determining patterns in datasets This book is written for materials scientists and metallurgists interested in the application of AI, ML, and data science in the development of new materials.
Transformations Selected Works Of G B Olson On Materials Microstrucutre And Design
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Author : C.E. Campbell
language : en
Publisher: ASM International
Release Date : 2017-10-01
Transformations Selected Works Of G B Olson On Materials Microstrucutre And Design written by C.E. Campbell and has been published by ASM International this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-01 with Technology & Engineering categories.
ASM International and The Minerals, Metals and Materials Society (TMS) have collaborated to present a collection of the selected works of Dr. Greg B. Olson in honor of his 70th birthday in 2017. This collection highlights his influential contributions to the understanding of martensite transformations and the development and application of a systems design approach to materials. Part I: Martensite, with an Introduction by Sir Harry Bhadeshia, emphasizes Dr. Olson's work to develop a dislocation theory for martensite transformations, to improve the understanding of the statistical nature of martensite nucleation, and to expand use of quantitative microscopy to characterize phase transformations. Part II: Materials Design, with an Introduction by Dr. Charles Kuehmann, focuses on the application of a systems design approach to materials and the development of integrated computational design curriculum for undergraduate education. Part II includes several examples of the systems design approach to a variety of applications. The papers chosen for this collection were selected by the editors with input from Dr. Olson.
Hydrogen And Hydrogen Containing Molecules On Metal Surfaces
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Author : Hideaki Kasai
language : en
Publisher: Springer Nature
Release Date : 2020-08-01
Hydrogen And Hydrogen Containing Molecules On Metal Surfaces written by Hideaki Kasai and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-08-01 with Science categories.
This book is dedicated to recent advancements in theoretical and computational studies on the interactions of hydrogen and hydrogenated molecules with metal surfaces. These studies are driven by the development of high-performance computers, new experimental findings, and the extensive work of technological applications towards the realization of a sustainable hydrogen economy. Understanding of the elementary processes of physical and chemical reactions on the atomic scale is important in the discovery of new materials with high chemical reactivity and catalytic activity, as well as high stability and durability. From this point of view, the book focuses on the behavior of hydrogen and hydrogenated molecules on flat, stepped, and reconstructed metal surfaces. It also tackles the quantum mechanical properties of hydrogen and related adsorbates; namely, molecular orbital angular momentum (spin) and diffusion along the minimum potential energy landscape on metal surfaces. All of these profoundly influence the outcomes of (1) catalytic reactions that involve hydrogen; (2) hydrogen storage in metals; and (3) hydrogen purification membranes. Lastly, it surveys the current status of the technology, outlook, and challenges for the long-desired sustainable hydrogen economy in relation to the topics covered in the book.
Nasa Space Technology Roadmaps And Priorities
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Author : National Research Council
language : en
Publisher: National Academies Press
Release Date : 2012-06-07
Nasa Space Technology Roadmaps And Priorities written by National Research Council and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-06-07 with Science categories.
NASA's Office of the Chief Technologist (OCT) has begun to rebuild the advanced space technology program in the agency with plans laid out in 14 draft technology roadmaps. It has been years since NASA has had a vigorous, broad-based program in advanced space technology development and its technology base has been largely depleted. However, success in executing future NASA space missions will depend on advanced technology developments that should already be underway. Reaching out to involve the external technical community, the National Research Council (NRC) considered the 14 draft technology roadmaps prepared by OCT and ranked the top technical challenges and highest priority technologies that NASA should emphasize in the next 5 years. This report provides specific guidance and recommendations on how the effectiveness of the technology development program managed by OCT can be enhanced in the face of scarce resources.