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Informatics For Materials Science And Engineering

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Informatics for Materials Science and Engineering

Informatics for Materials Science and Engineering Book
Author : Krishna Rajan
Publisher : Butterworth-Heinemann
Release : 2013-07-10
ISBN : 012394614X
Language : En, Es, Fr & De

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Book Description :

Materials informatics: a ‘hot topic’ area in materials science, aims to combine traditionally bio-led informatics with computational methodologies, supporting more efficient research by identifying strategies for time- and cost-effective analysis. The discovery and maturation of new materials has been outpaced by the thicket of data created by new combinatorial and high throughput analytical techniques. The elaboration of this "quantitative avalanche"—and the resulting complex, multi-factor analyses required to understand it—means that interest, investment, and research are revisiting informatics approaches as a solution. This work, from Krishna Rajan, the leading expert of the informatics approach to materials, seeks to break down the barriers between data management, quality standards, data mining, exchange, and storage and analysis, as a means of accelerating scientific research in materials science. This solutions-based reference synthesizes foundational physical, statistical, and mathematical content with emerging experimental and real-world applications, for interdisciplinary researchers and those new to the field. Identifies and analyzes interdisciplinary strategies (including combinatorial and high throughput approaches) that accelerate materials development cycle times and reduces associated costs Mathematical and computational analysis aids formulation of new structure-property correlations among large, heterogeneous, and distributed data sets Practical examples, computational tools, and software analysis benefits rapid identification of critical data and analysis of theoretical needs for future problems

Informatics for Materials Science and Engineering Data Driven Discovery for Accelerated Experimentation and Application

Informatics for Materials Science and Engineering  Data Driven Discovery for Accelerated Experimentation and Application Book
Author : Krishna Rajan
Publisher : Butterworth-Heinemann
Release : 2017-11-13
ISBN : 9780128101216
Language : En, Es, Fr & De

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Book Description :

Materials informatics: a hot topic area in materials science, aims to combine traditionally bio-led informatics with computational methodologies, supporting more efficient research by identifying strategies for time- and cost-effective analysis. The discovery and maturation of new materials has been outpaced by the thicket of data created by new combinatorial and high throughput analytical techniques. The elaboration of this "quantitative avalanche" and the resulting complex, multi-factor analyses required to understand it means that interest, investment, and research are revisiting informatics approaches as a solution. This work, from Krishna Rajan, the leading expert of the informatics approach to materials, seeks to break down the barriers between data management, quality standards, data mining, exchange, and storage and analysis, as a means of accelerating scientific research in materials science. This solutions-based reference synthesizes foundational physical, statistical, and mathematical content with emerging experimental and real-world applications, for interdisciplinary researchers and those new to the field. Identifies and analyzes interdisciplinary strategies (including combinatorial and high throughput approaches) that accelerate materials development cycle times and reduces associated costs Mathematical and computational analysis aids formulation of new structure-property correlations among large, heterogeneous, and distributed data sets Practical examples, computational tools, and software analysis benefits rapid identification of critical data and analysis of theoretical needs for future problems "

Materials Informatics

Materials Informatics Book
Author : Olexandr Isayev,Alexander Tropsha,Stefano Curtarolo
Publisher : John Wiley & Sons
Release : 2019-12-04
ISBN : 3527341218
Language : En, Es, Fr & De

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Book Description :

Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.

Hierarchical Materials Informatics

Hierarchical Materials Informatics Book
Author : Surya R. Kalidindi
Publisher : Elsevier
Release : 2015-08-06
ISBN : 012410455X
Language : En, Es, Fr & De

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Book Description :

Custom design, manufacture, and deployment of new high performance materials for advanced technologies is critically dependent on the availability of invertible, high fidelity, structure-property-processing (SPP) linkages. Establishing these linkages presents a major challenge because of the need to cover unimaginably large dimensional spaces. Hierarchical Materials Informatics addresses objective, computationally efficient, mining of large ensembles of experimental and modeling datasets to extract this core materials knowledge. Furthermore, it aims to organize and present this high value knowledge in highly accessible forms to end users engaged in product design and design for manufacturing efforts. As such, this emerging field has a pivotal role in realizing the goals outlined in current strategic national initiatives such as the Materials Genome Initiative (MGI) and the Advanced Manufacturing Partnership (AMP). This book presents the foundational elements of this new discipline as it relates to the design, development, and deployment of hierarchical materials critical to advanced technologies. Addresses a critical gap in new materials research and development by presenting a rigorous statistical framework for the quantification of microstructure Contains several case studies illustrating the use of modern data analytic tools on microstructure datasets (both experimental and modeling)

Materials Science Testing and Informatics II

Materials Science  Testing and Informatics II Book
Author : J. Gyulai
Publisher : Trans Tech Publications Ltd
Release : 2005-01-15
ISBN : 3038130001
Language : En, Es, Fr & De

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Book Description :

Volume is indexed by Thomson Reuters CPCI-S (WoS). The series, “Hungarian Conference and Exhibition on Materials Science, Testing and Informatics”, was founded in order to provide a forum in which Hungarian and foreign scientists and research groups - interested in metals and alloys, silicates, polymers and composites - would have the opportunity to exchange and publish ideas and to establish new integrated partnerships. The 4th Hungarian Conference and Exhibition on Materials Science, Testing and Informatics was held on the Balaton lakeside, at Balatonfüred, October 12-14th , 2003.

Information Science for Materials Discovery and Design

Information Science for Materials Discovery and Design Book
Author : Turab Lookman,Francis J. Alexander,Krishna Rajan
Publisher : Springer
Release : 2015-12-12
ISBN : 331923871X
Language : En, Es, Fr & De

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Book Description :

This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.

Materials Science Testing and Informatics IV

Materials Science  Testing and Informatics IV Book
Author : Péter János Szabó,Tamás Réti,T. Czigány
Publisher : Trans Tech Publications Ltd
Release : 2008-06-17
ISBN : 3038131679
Language : En, Es, Fr & De

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Book Description :

Volume is indexed by Thomson Reuters CPCI-S (WoS). This collection comprises state-of-the-art papers written by scientists and research groups working in fields encompassing metals and alloys, silicates, polymers and composites.

The Fourth Paradigm

The Fourth Paradigm Book
Author : Tony Hey
Publisher : Microsoft Press
Release : 2009
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Foreword. A transformed scientific method. Earth and environment. Health and wellbeing. Scientific infrastructure. Scholarly communication.

Nanoinformatics

Nanoinformatics Book
Author : Isao Tanaka
Publisher : Springer
Release : 2018-01-15
ISBN : 9811076170
Language : En, Es, Fr & De

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Book Description :

This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informatics" is the central paradigm in the new trend. "Nanoinformatics" is its essential subset, which focuses on nanostructures of materials such as surfaces, interfaces, dopants, and point defects, playing a critical role in determining materials properties. There have been significant advances in experimental and computational techniques to characterize individual atoms in nanostructures and to gain quantitative information. The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering.

Combinatorial Methods and Informatics in Materials Science Volume 894

Combinatorial Methods and Informatics in Materials Science  Volume 894 Book
Author : M. J. Fasolka,Q. Wang
Publisher : Mrs Proceedings
Release : 2006-05-17
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Combinatorial and high-throughput experimental approaches and related informatics, modeling and data-mining methods have permitted researchers to accelerate the pace at which new, complex materials and device systems are discovered, optimized and understood. Today, the development and application of these revolutionary approaches continue to grow and diversify. This book offers an international, interdisciplinary perspective for scientists and engineers interested in combinatorial, high-throughput and advanced informatics approaches to materials research. The range of disciplines includes materials science; chemistry; physics; electrical, chemical and mechanical engineering; materials modeling; and data systems engineering. Presentations share successful studies, and illuminate current and emerging challenges in areas including: the design and fabrication of combinatorial libraries for materials and devices; high-throughput characterization methods for such systems; automation of instrumentation and data analysis; advanced modeling and data mining techniques for rapid materials design and properties prediction; and data system design and software for combinatorial workflows.

Artificial Intelligence for Materials Science

Artificial Intelligence for Materials Science Book
Author : Yuan Cheng,Tian Wang,Gang Zhang
Publisher : Springer Nature
Release : 2021-03-26
ISBN : 3030683109
Language : En, Es, Fr & De

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Book Description :

Machine learning methods have lowered the cost of exploring new structures of unknown compounds, and can be used to predict reasonable expectations and subsequently validated by experimental results. As new insights and several elaborative tools have been developed for materials science and engineering in recent years, it is an appropriate time to present a book covering recent progress in this field. Searchable and interactive databases can promote research on emerging materials. Recently, databases containing a large number of high-quality materials properties for new advanced materials discovery have been developed. These approaches are set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic in the coming years. This authoritative and comprehensive book will be of interest to both existing researchers in this field as well as others in the materials science community who wish to take advantage of these powerful techniques. The book offers a global spread of authors, from USA, Canada, UK, Japan, France, Russia, China and Singapore, who are all world recognized experts in their separate areas. With content relevant to both academic and commercial points of view, and offering an accessible overview of recent progress and potential future directions, the book will interest graduate students, postgraduate researchers, and consultants and industrial engineers.

Materials Science Testing and Informatics VII

Materials Science  Testing and Informatics VII Book
Author : Tibor Berecz,Kornél Májlinger,Imre Norbert Orbulov,Péter János Szabó
Publisher : Trans Tech Publications Ltd
Release : 2015-02-13
ISBN : 3038267740
Language : En, Es, Fr & De

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Book Description :

Collection of selected, peer reviewed papers from the 9th Hungarian Conference on Materials Science, October 13-15, 2013, Balatonkenese, Hungary. The 75 papers are grouped as follows: Session I. - Materials and Technologies; Session II. - Materials Testing; Session III. - Modelling

Materials Science and Engineering Concepts Methodologies Tools and Applications

Materials Science and Engineering  Concepts  Methodologies  Tools  and Applications Book
Author : Management Association, Information Resources
Publisher : IGI Global
Release : 2017-01-11
ISBN : 1522517995
Language : En, Es, Fr & De

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Book Description :

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.

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

Introduction to Computational Materials Science

Introduction to Computational Materials Science Book
Author : Richard LeSar
Publisher : Cambridge University Press
Release : 2013-03-28
ISBN : 1107328144
Language : En, Es, Fr & De

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Book Description :

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Insight into Theoretical and Applied Informatics

Insight into Theoretical and Applied Informatics Book
Author : Andrzej Yatsko,Walery Suslow
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2015-01-01
ISBN : 311046988X
Language : En, Es, Fr & De

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Book Description :

The book is addressed to young people interested in computer technologies and computer science. The objective of this book is to provide the reader with all the necessary elements to get him or her started in the modern field of informatics and to allow him or her to become aware of the relationship between key areas of computer science. The book is addressed not only to future software developers, but also to all who are interested in computing in a widely understood sense. The authors also expect that some computer professionals will want to review this book to lift themselves above the daily grind and to embrace the excellence of the whole field of computer science. Unlike existing books, this one bypasses issues concerning the construction of computers and focuses only on information processing. Recognizing the importance of the human factor in information processing, the authors intend to present the theoretical foundations of computer science, software development rules, and some business aspects of informatics in non-technocratic, humanistic terms.

Materials Discovery and Design

Materials Discovery and Design Book
Author : Turab Lookman,Stephan Eidenbenz,Frank Alexander,Cris Barnes
Publisher : Springer
Release : 2018-09-22
ISBN : 3319994654
Language : En, Es, Fr & De

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Book Description :

This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.

Combinatorial Materials Science

Combinatorial Materials Science Book
Author : Marc D. Porter
Publisher : John Wiley & Sons
Release : 2007-08-17
ISBN : 0470140461
Language : En, Es, Fr & De

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Book Description :

Combinatorial Materials Science describes new developments and research results in catalysts, biomaterials, and nanomaterials, together with informatics approaches to the analysis of Combinatorial Science (CombiSci) data. CombiSci has been used extensively in the pharmaceutical industry, but there is enormous potential in its application to materials design and characterization. Addressing advances and applications in both fields, Combinatorial Materials Science: Integrates the scientific fundamentals and interdisciplinary underpinnings required to develop and apply CombiSci concepts Discusses the development and use of CombiSci for the systematic and accelerated investigation of new phenomena and of the complex structure-function interplay in materials Covers the development of new library design strategies for materials processing and for high-throughput tools for rapid sampling Uses a unique, unified approach of applying combinatorial methods to unravel the non-linear structure-function relationships in diverse materials (both hard and soft), together with advances in informatics With chapters written by leading researchers in their specialty areas, this authoritative guide is a must-have resource for scientists and engineers in materials science research, biochemists, chemists, immunologists, cell biologists, polymer scientists, chemical and mechanical engineers, statisticians, and computer scientists. It is also a great text for graduate-level courses in materials science/engineering, polymer science, chemical engineering, and chemistry.

Chemical Technology and Informatics in Chemistry with Applications

Chemical Technology and Informatics in Chemistry with Applications Book
Author : Alexander V. Vakhrushev,Omari V. Mukbaniani,Heru Susanto
Publisher : CRC Press
Release : 2019-01-15
ISBN : 1351247441
Language : En, Es, Fr & De

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Book Description :

This volume reflects the huge breadth and diversity in research and the application of industrial and engineering chemistry and cheminformatics. The book presents cutting-edge research developments and new insights that emphasize the vibrancy of industrial and engineering chemistry and cheminformatics today. The first section of the book focuses on new insights in engineering chemistry while the second part looks at the promising future and novel approaches in chemical informatics, which has vast implications for industrial and pharmaceutical applications. Several chapters examine various industrial processes for emerging materials and determine practical use under a wide range of conditions, helping to establish what is needed to produce a new generation of materials.

Advances in Computer Science and Information Technology

Advances in Computer Science and Information Technology Book
Author : Natarajan Meghanathan,B.K. Kaushik,Dhinaharan Nagamalai
Publisher : Springer Science & Business Media
Release : 2010-12-14
ISBN : 3642178561
Language : En, Es, Fr & De

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Book Description :

This volume constitutes the first of three parts of the refereed proceedings of the First International Conference on Computer Science and Information Technology, CCSIT 2010, held in Bangalore, India, in January 2011. The 59 revised full papers presented in this volume were carefully reviewed and selected. The papers are organized in topical sections on distributed and parallel systems and algorithms; DSP, image processing, pattern recognition, and multimedia; software engineering; database and data Mining; as well as soft computing, such as AI, neural networks, fuzzy systems, etc.