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Informatics for Materials Science and Engineering

Informatics for Materials Science and Engineering
  • Author : Krishna Rajan
  • Publisher :Unknown
  • Release Date :2013-07-10
  • Total pages :542
  • ISBN : 9780123946140
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Summary : 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
  • Author : Krishna Rajan
  • Publisher :Unknown
  • Release Date :2013-07-10
  • Total pages :542
  • ISBN : 9780128059456
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Summary : 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
  • Author : Krishna Rajan
  • Publisher :Unknown
  • Release Date :2013-07-10
  • Total pages :542
  • ISBN : 9780128059319
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Summary : 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
  • Author : Joseph Glick
  • Publisher :Unknown
  • Release Date :2013-07-10
  • Total pages :542
  • ISBN : 9780128059388
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Summary : 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
  • Author : Surya R. Kalidindi
  • Publisher :Unknown
  • Release Date :2015-08-06
  • Total pages :230
  • ISBN : 9780124104556
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Summary : 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 Informatics

Materials Informatics
  • Author : Olexandr Isayev,Alexander Tropsha,Stefano Curtarolo
  • Publisher :Unknown
  • Release Date :2019-10-21
  • Total pages :304
  • ISBN : 9783527341214
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Summary : 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.

Materials Science, Testing and Informatics ...

Materials Science, Testing and Informatics ...
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2007
  • Total pages :229
  • ISBN : UOM:39015047295749
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Summary :

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

Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications
  • Author : Management Association, Information Resources
  • Publisher :Unknown
  • Release Date :2017-01-11
  • Total pages :1804
  • ISBN : 9781522517993
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Summary : 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.

Nanoinformatics

Nanoinformatics
  • Author : Isao Tanaka
  • Publisher :Unknown
  • Release Date :2018-01-15
  • Total pages :298
  • ISBN : 9789811076176
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Summary : 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. This book is open access under a CC BY license.

Materials Science, Testing and Informatics II

Materials Science, Testing and Informatics II
  • Author : J. Gyulai
  • Publisher :Unknown
  • Release Date :2005-01-15
  • Total pages :520
  • ISBN : 9783038130000
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Summary : 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.

Combinatorial Methods and Informatics in Materials Science: Volume 894

Combinatorial Methods and Informatics in Materials Science: Volume 894
  • Author : M. J. Fasolka,T. Chikyow,Q. Wang,A. Korkin
  • Publisher :Unknown
  • Release Date :2006-05-17
  • Total pages :356
  • ISBN : UOM:39015064103875
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Summary : 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 III

Materials Science, Testing and Informatics III
  • Author : J. Gyulai,Péter János Szabó
  • Publisher :Unknown
  • Release Date :2007-02-15
  • Total pages :750
  • ISBN : 9783038131076
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Summary : 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, Testing and Informatics VI

Materials Science, Testing and Informatics VI
  • Author : Tibor Berecz,Kornél Májlinger,Imre Norbert Orbulov,Péter János Szabó
  • Publisher :Unknown
  • Release Date :2012-11-12
  • Total pages :560
  • ISBN : 9783038139072
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Summary : Selected, peer reviewed papers from the 8th Hungarian Conference on Materials Science, October 9-11, 2011, Balatonkenese, Hungary

Materials Science, Testing and Informatics V

Materials Science, Testing and Informatics V
  • Author : Péter János Szabó,Tibor Berecz
  • Publisher :Unknown
  • Release Date :2010-09-13
  • Total pages :546
  • ISBN : 9783038133278
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Summary : 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 IV

Materials Science, Testing and Informatics IV
  • Author : Péter János Szabó,Tamás Réti,T. Czigány
  • Publisher :Unknown
  • Release Date :2008-06-17
  • Total pages :466
  • ISBN : 9783038131670
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Summary : 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.

Introduction to Computational Materials Science

Introduction to Computational Materials Science
  • Author : Richard LeSar
  • Publisher :Unknown
  • Release Date :2013-03-28
  • Total pages :229
  • ISBN : 9781107328143
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Summary : 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.

Informatics and Management Science I

Informatics and Management Science I
  • Author : Wenjiang Du
  • Publisher :Unknown
  • Release Date :2012-12-05
  • Total pages :792
  • ISBN : 9781447148029
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Summary : The International Conference on Informatics and Management Science (IMS) 2012 will be held on November 16-19, 2012, in Chongqing, China, which is organized by Chongqing Normal University, Chongqing University, Shanghai Jiao Tong University, Nanyang Technological University, University of Michigan, Chongqing University of Arts and Sciences, and sponsored by National Natural Science Foundation of China (NSFC). The objective of IMS 2012 is to facilitate an exchange of information on best practices for the latest research advances in a range of areas. Informatics and Management Science contains over 600 contributions to suggest and inspire solutions and methods drawing from multiple disciplines including: · Computer Science · Communications and Electrical Engineering · Management Science · Service Science · Business Intelligence

Materials Science and Engineering

Materials Science and Engineering
  • Author : Duane D. Johnson
  • Publisher :Unknown
  • Release Date :2013-07-10
  • Total pages :542
  • ISBN : 9780128059449
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Summary : 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.

Applications of Mathematics and Informatics in Science and Engineering

Applications of Mathematics and Informatics in Science and Engineering
  • Author : Nicholas J. Daras
  • Publisher :Unknown
  • Release Date :2014-04-30
  • Total pages :445
  • ISBN : 9783319047201
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Summary : Analysis, assessment, and data management are core competencies for operation research analysts. This volume addresses a number of issues and developed methods for improving those skills. It is an outgrowth of a conference held in April 2013 at the Hellenic Military Academy and brings together a broad variety of mathematical methods and theories with several applications. It discusses directions and pursuits of scientists that pertain to engineering sciences. It is also presents the theoretical background required for algorithms and techniques applied to a large variety of concrete problems. A number of open questions as well as new future areas are also highlighted. This book will appeal to operations research analysts, engineers, community decision makers, academics, the military community, practitioners sharing the current “state-of-the-art,” and analysts from coalition partners. Topics covered include Operations Research, Games and Control Theory, Computational Number Theory and Information Security, Scientific Computing and Applications, Statistical Modeling and Applications, Systems of Monitoring and Spatial Analysis.

Materials Science, Testing and Informatics III

Materials Science, Testing and Informatics III
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2007
  • Total pages :750
  • ISBN : OCLC:927292630
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Summary : This collection includes state-of-the-art papers by scientists and research groups working in fields encompassing metals and alloys, silicates, polymers and composites. The book is divided into the sections: Classical Materials and Technologies - including Mechanical Engineering, Electrotechnics, Energetics, Ceramics, Polymers; Special Materials and Technologies - including Nanotechnology, Biotechnology and other Specialties; Modern Research and Characterization Methods; Modelling and Materials Informatics; Innovative Products and Technologies - including Industrial Applications, Technologies and Properties: The State and Possibilities of Nanotechnological Research; Structural Change of Higher Education after Entering BSc and MSc Degree Courses; Innovation Strategy - R&D Support - Framework Programs.All-in-all an unique view of modern technologies. Proceedings of an October 2005 conference held in Balatonfüred, Hungary, providing a forum for Hungarian and foreign scientists and research groups working in metals and alloys, silicates, polymers and composites to exchange ideas and establish new and integrated partnerships. Following the plenary lecture, 91 contributions are organized into sections on classical materials and technologies, including mechanical engineering, electrotechnics, energetics, ceramics, and polymers; special materials and technologies, including nanotechnology and biotechnology; modern material research and testing methods; modeling and material informatics; and innovative products and technologies, including industrial applications technologies and properties. A sampling of topics: the effect of compression on the mechanical properties of wood material, carbon nanotubes as ceramic matrix reinforcements, changes of the subsurface structure of materials developed during sliding friction, virtual TTT diagrams generated by multi-linear regression analysis, and high performance microcoulometry. Contains both author and keyword indexes.

Materials Science and Engineering

Materials Science and Engineering
  • Author : Krishna Rajan
  • Publisher :Unknown
  • Release Date :2013-07-10
  • Total pages :542
  • ISBN : 9780128059500
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Summary : This chapter provides an introduction to how data-mining techniques can help to correlate multiple modalities of signals to extract information from images. The discussion is built around two genres of applications of imaging/spectral informatics. One is exploration of the role of informatics to enhance the resolution of detection of spatial correlations in chemistry through examples of chemical imaging techniques based on electron energy loss spectroscopy (EELS) and cathodoluminescence (CL). These case studies serve to highlight the use of data dimensionality reduction techniques to link the multiple modalities of imaging contrast that serve to enhance the “information contrast” that helps to uncover subtle but important spatial correlations in chemistry. The other set of case studies is built around the use of Fourier transform infrared spectroscopy (FTIR). These examples serve to highlight a different role in the application of informatics methods in materials characterization, namely to track changes in physical/structural properties of materials associated with processing variations. Here it is demonstrated how data dimensionality reduction methods can uncover correlations between features in spectra that cannot be detected by visual inspection. Hence spectral informatics provides a methodology to monitor structural and chemical pathways that govern processing–property relationships in materials.