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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

Materials Science and Engineering

Materials Science and Engineering Book
Author : Krishna Rajan
Publisher : Elsevier Inc. Chapters
Release : 2013-07-10
ISBN : 0128059451
Language : En, Es, Fr & De

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Book Description :

This chapter provides a discussion of how informatics tools can address one of the fundamental historical developments in crystal chemistry, that of structure maps. Such maps serve as a means to explore how specific parameters associated with crystal and electronic structure can serve as a way to rationalize groupings, or classifications, relating structure and chemistry. Historically, structure maps have evolved through a variety of heuristic approaches that define a priori how parameters may be important, and then classifications are discovered as one populates these maps with data. The resulting clustering of data serves as a heuristic tool to rationalize new discoveries and new structure–bonding relationships.

Materials Science and Engineering

Materials Science and Engineering Book
Author : Krishna Rajan
Publisher : Elsevier Inc. Chapters
Release : 2013-07-10
ISBN : 0128059311
Language : En, Es, Fr & De

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Book Description :

Studying structure–property relationships is an accepted paradigm in materials science, yet these relationships are often not linear and the challenge is to seek patterns among multiple length and time scales. There is rarely a single multiscale theory or experiment that can meaningfully and accurately capture such information. In this chapter we introduce the rationale as to why we need informatics by briefly summarizing the challenges of information complexity one has to deal with in material science, in order to systematically establish structure–property–processing relationships. Some of the concepts and topics to be covered in this book are introduced, including information networks, data mining, databases, and combinatorial experiments to mention a few. The value of “materials informatics” lies in its ability to permit one to survey complex, multiscale information in a high-throughput, statistically robust and yet physically meaningful manner.

Materials Science and Engineering

Materials Science and Engineering Book
Author : Joseph Glick
Publisher : Elsevier Inc. Chapters
Release : 2013-07-10
ISBN : 0128059389
Language : En, Es, Fr & De

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Book Description :

The discipline of informatics emerged from the need to translate biomedical research into evidence-based healthcare protocols and policy. Materials science informatics is rooted in an analogous need to “translate” physical sciences research and discoveries into materials-based solutions to address a broad range of issues and challenges for business, government, and the environment. Ontologies and databases are key elements of translational architectures and therefore are fundamental tools of the practice of informatics. Databases are tools for engineering data and information, while ontologies are tools for engineering knowledge and utility. Since knowledge and utility are the core objectives of informatics, correctly understanding and utilizing ontologies is critical to the development of effective materials informatics programs and tools. Rooted in philosophy, the term ontology appears most frequently today in connection with semantic web technology, where it refers to vocabularies used by inference engines to interpret human use of language. Materials science ontologies need to capture the scientific context of the defined concepts to support modeling and prediction of multidimensional structure–property relationships in variable environments and applications. Addressing the complexity of materials science ontologies requires a significant departure from traditional database and semantic web ontology approaches, including the use of neural networks that are capable of implementing methods for modeling context, relevance, complex systems, and human expertise. Pioneering efforts in this space include the Knowledge Engineering for Nanoinformatics Pilot (KENI) launched by the Nanoinformatics Society in 2010, and a collaborative Materials Genome Modeling Methodology initiative led by Iowa State University and initiated in 2011.

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

Materials Science  Testing and Informatics     Book
Author : Anonim
Publisher : Unknown
Release : 2007
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Materials Science Testing and Informatics book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Introduction to Computational Materials Science

Introduction to Computational Materials Science Book
Author : Richard LeSar
Publisher : Cambridge University Press
Release : 2013-03-28
ISBN : 0521845874
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 behavior. 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. Modeling 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.

Materials Science and Engineering

Materials Science and Engineering Book
Author : Duane D. Johnson
Publisher : Elsevier Inc. Chapters
Release : 2013-07-10
ISBN : 0128059443
Language : En, Es, Fr & De

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Book Description :

We exemplify and propose extending the use of genetic programs (GPs) – a genetic algorithm (GA) that evolves computer programs via mechanisms similar to genetics and natural selection – to symbolically regress key functional relationships between materials data, especially from electronic structure. GPs can extract structure–property relations or enable simulations across multiple scales of time and/or length. Uniquely, GP-based regression permits “data discovery” – finding relevant data and/or extracting correlations (data reduction/data mining) – in contrast to searching for what you know, or you think you know (intuition). First, catalysis-related materials correlations are discussed, where simple electronic-structure-based rules are revealed using well-developed intuition, and then, after introducing the concepts, GP regression is used to obtain (i) a constitutive relation between flow stress and strain rate in aluminum, and (ii) multi-time-scale kinetics for surface alloys. We close with some outlook for a range of applications (materials discovery, excited-state chemistry, and multiscaling) that could rely primarily on density functional theory results.

Materials Science Testing and Informatics V

Materials Science  Testing and Informatics V Book
Author : Péter János Szabó,Tibor Berecz
Publisher : Trans Tech Publications Ltd
Release : 2010-09-13
ISBN : 3038133272
Language : En, Es, Fr & De

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Book Description :

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 contents appear under the rubrics of: Classical Materials and Technologies – including the topics of Mechanical Engineering, Electrotechnics, Energetics, Ceramics, Polymers. Special Materials and Technologies – including Nanotechnology, Biotechnology and other Specialities. Modern Research and Characterization Methods. Modelling and Materials Informatics. Innovative Products and Technologies – including Industrial Applications, Technologies and Properties.

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.

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.

Materials Science Testing and Informatics III

Materials Science  Testing and Informatics III Book
Author : J. Gyulai,Péter János Szabó
Publisher : Trans Tech Publications Ltd
Release : 2007-02-15
ISBN : 3038131075
Language : En, Es, Fr & De

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Book Description :

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

Materials Science and Engineering

Materials Science and Engineering Book
Author : Surya R. Kalidindi
Publisher : Elsevier Inc. Chapters
Release : 2013-07-10
ISBN : 0128059486
Language : En, Es, Fr & De

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Book Description :

Accelerated design and development of new advanced materials with improved performance characteristics and their successful insertion in engineering practice are largely hindered by the lack of a rigorous mathematical framework for the robust generation of microstructure informatics relevant to the specific application. In this chapter, we describe a set of novel data-driven, computationally efficient protocols that are capable of accelerating significantly the process of building the necessary microstructure informatics for a targeted application. Specific applications in establishing processing–structure–property linkages are discussed as representative examples of how data science can potentially transform the current practices in the materials design and development arena.

Data Science in Chemistry

Data Science in Chemistry Book
Author : Thorsten Gressling
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2020-11-23
ISBN : 3110630532
Language : En, Es, Fr & De

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Book Description :

The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.

Combinatorial Methods and Informatics in Materials Science Volume 894

Combinatorial Methods and Informatics in Materials Science  Volume 894 Book
Author : M. J. Fasolka,T. Chikyow,Q. Wang,A. Korkin
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.

Materials Science Testing and Informatics VI

Materials Science  Testing and Informatics VI Book
Author : Tibor Berecz,Kornél Májlinger,Imre Norbert Orbulov,Péter János Szabó
Publisher : Trans Tech Publications Ltd
Release : 2012-11-12
ISBN : 3038139076
Language : En, Es, Fr & De

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Book Description :

Selected, peer reviewed papers from the 8th Hungarian Conference on Materials Science, October 9-11, 2011, Balatonkenese, Hungary

Architecting Robust Co Design of Materials Products and Manufacturing Processes

Architecting Robust Co Design of Materials  Products  and Manufacturing Processes Book
Author : Anand Balu Nellippallil,Janet K. Allen,B. P. Gautham,Amarendra K. Singh,Farrokh Mistree
Publisher : Springer Nature
Release : 2020-06-13
ISBN : 3030453243
Language : En, Es, Fr & De

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Book Description :

This book explores systems-based, co-design, introducing a “Decision-Based, Co-Design” (DBCD) approach for the co-design of materials, products, and processes. In recent years there have been significant advances in modeling and simulation of material behavior, from the smallest atomic scale to the macro scale. However, the uncertainties associated with these approaches and models across different scales need to be addressed to enable decision-making resulting in designs that are robust, that is, relatively insensitive to uncertainties. An approach that facilitates co-design is needed across material, product design and manufacturing processes. This book describes a cloud-based platform to support decisions in the design of engineered systems (CB-PDSIDES), which feature an architecture that promotes co-design through the servitization of decision-making, knowledge capture and use templates that allow previous solutions to be reused. Placing the platform in the cloud aids mass collaboration and open innovation. A valuable reference resource reference on all areas related to the design of materials, products and processes, the book appeals to material scientists, design engineers and all those involved in the emerging interdisciplinary field of integrated computational materials engineering (ICME).

Dynamic Response of Advanced Ceramics

Dynamic Response of Advanced Ceramics Book
Author : Ghatu Subhash,Amnaya Awasthi,Dipankar Ghosh
Publisher : John Wiley & Sons
Release : 2021-04-28
ISBN : 1119599814
Language : En, Es, Fr & De

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Book Description :

Dynamic Response of Advanced Ceramics Discover fundamental concepts and recent advances in experimental, analytical, and computational research into the dynamic behavior of ceramics In Dynamic Response of Advanced Ceramics, an accomplished team of internationally renowned researchers delivers a comprehensive exploration of foundational and advanced concepts in experimental, analytical, and computational aspects of the dynamic behavior of advanced structural ceramics and transparent materials. The book discusses new techniques used for determination of dynamic hardness and dynamic fracture toughness, as well as edge-on-impact experiments for imaging evolving damage patterns at high impact velocities. The authors also include descriptions of the dynamic deformation behavior of icosahedral ceramics and the dynamic behavior of several transparent materials, like chemically strengthened glass and glass ceramics. The developments discussed within the book have applications in everything from high-speed machining to cutting, grinding, and blast protection. Readers will also benefit from a presentation of emerging trends and directions in research on this subject as well as current challenges in experimental and computational domains, including: An introduction to the history of ceramic materials and their dynamic behavior, including examples of material response to high-strain-rate loading An exploration of high-strain-rate experimental techniques, like 1D elastic stress-wave propagation techniques, shock waves, and impact testing Discussions of the static and dynamic responses of ceramics and the shock response of brittle solids An overview of deformation mechanisms during projectile impact on a confined ceramic, including damage evolution during the nonpenetration and penetration phases. Perfect for researchers, scientists, and engineers working on ballistic impact and shock response of brittle materials, Dynamic Response of Advanced Ceramics will also earn a place in the libraries of industry personnel studying impact-resistant solutions for a variety of applications.

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.

Materials Informatics

Materials Informatics Book
Author : Olexandr Isayev,Alexander Tropsha,Stefano Curtarolo
Publisher : John Wiley & Sons
Release : 2019-08-08
ISBN : 3527802258
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.