information science for materials discovery and design springer series in materials science

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Information Science For Materials Discovery And Design

Author : Turab Lookman
ISBN : 9783319238715
Genre : Technology & Engineering
File Size : 36. 4 MB
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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 Discovery And Design

Author : Turab Lookman
ISBN : 9783319994659
Genre : Science
File Size : 72. 86 MB
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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.

Bayesian Optimization For Materials Science

Author : Daniel Packwood
ISBN : 9789811067815
Genre : Technology & Engineering
File Size : 26. 40 MB
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This book provides a short and concise introduction to Bayesian optimization specifically for experimental and computational materials scientists. After explaining the basic idea behind Bayesian optimization and some applications to materials science in Chapter 1, the mathematical theory of Bayesian optimization is outlined in Chapter 2. Finally, Chapter 3 discusses an application of Bayesian optimization to a complicated structure optimization problem in computational surface science.Bayesian optimization is a promising global optimization technique that originates in the field of machine learning and is starting to gain attention in materials science. For the purpose of materials design, Bayesian optimization can be used to predict new materials with novel properties without extensive screening of candidate materials. For the purpose of computational materials science, Bayesian optimization can be incorporated into first-principles calculations to perform efficient, global structure optimizations. While research in these directions has been reported in high-profile journals, until now there has been no textbook aimed specifically at materials scientists who wish to incorporate Bayesian optimization into their own research. This book will be accessible to researchers and students in materials science who have a basic background in calculus and linear algebra.

Oecd Science Technology And Innovation Outlook 2018 Adapting To Technological And Societal Disruption

Author : OECD
ISBN : 9789264307575
Genre :
File Size : 89. 73 MB
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The OECD Science, Technology and Innovation Outlook 2018 is the twelfth edition in a series that biennially reviews key trends in science, technology and innovation (STI) policy in OECD countries and a number of major partner economies. The 14 chapters within this edition look at a range of ...

Nanoinformatics

Author : Isao Tanaka
ISBN : 9789811076176
Genre : Technology & Engineering
File Size : 23. 43 MB
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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 Selection In Mechanical Design Das Original Mit Bersetzungshilfen

Author : Michael F. Ashby
ISBN : 3827417627
Genre : Technology & Engineering
File Size : 24. 74 MB
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Das englischsprachige, weltweit anerkannte Standardwerk zur Werkstoffauswahl - als neuer Buchtyp speziell für die Bedürfnisse deutschsprachiger Leser angepasst! Der Zusatznutzen, den dieses Buch bietet ist das Lesen und Lernen im englischen Original zu erleichtern und gleichzeitig in die spezielle Fachterminologie einzuführen und zwar durch: - Übersetzungshilfen in der Randspalte zur Fachterminologie und zu schwierigen normalsprachlichen Ausdrücken - Ein zweisprachiges Fachwörterbuch zum raschen Nachschlagen

Physics Of New Materials

Author : Francisco Eiichi Fujita
ISBN : 3540568514
Genre : Technology & Engineering
File Size : 29. 28 MB
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Physics of New Materials starts from basic science, specially solid-state physics, and then moves into theresearch and development of advanced materials. The emphasisof the discussions is concentrated on the electronicandatomic structures and properties of transition-metalsystems, liquidand amorphous materials, the nano-phasematerials, layered compounds, martensite and otherstructural-transformed materials, and ordered alloys.Though these discussions, the physical aspects andprinciples ofnew materials, such as strong ferromagneticalloys, shape memory alloys, amorphous alloys, ultra-fineparticles, intercalated layered compounds, deformableceramics, and nuclear-physics techniques. In addition tothese theoretical treatments, modern experimentaltechniques, exemplified by M-ssbauer spectroscopy andelectron microscopy, demonstrate the vast scope of schemesneeded in the development of new materials.

Open Linked Data In Bibliotheken

Author : Patrick Danowski
ISBN : 9783110278736
Genre : Language Arts & Disciplines
File Size : 76. 53 MB
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This book is an introduction to the subjects of linked data, open data and open linked data, and to their specific relevance for libraries. It illustrates these concepts through detailed descriptions of actual data projects. The volume will be useful to individuals involved in library practice and those in library management who have not yet become familiarized with these important contemporary fields.

Ergonomie Und Mensch Maschine Systeme

Author : Ludger Schmidt
ISBN : 9783540783305
Genre : Business & Economics
File Size : 61. 51 MB
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Festschrift der Abteilung Ergonomie und Führungssysteme des Forschungsinstituts für Kommunikation, Informationsverarbeitung und Ergonomie anlässlich 40 Jahre Ergonomie in der Forschungsgesellschaft für Angewandte Naturwissenschaften. 1967 wurde die Forschungsgruppe Anthropotechnik und Flugmesstechnik, die zuvor an der TU Berlin tätig war, in die Gesellschaft zur Förderung der astrophysikalischen Forschung e. V. eingegliedert. Zwei Jahre später erfolgte mit einer Erweiterung des Aufgabenspektrums die Gründung des Forschungsinstituts für Anthropotechnik (FAT). Aus dem FAT und zwei weiteren Instituten ging schließlich 1999 das FGAN Forschungsinstitut für Kommunikation, Informationsverarbeitung und Ergonomie (FKIE) hervor, in dem das Arbeitsspektrum des bisherigen FAT nun von der Abteilung Ergonomie und Führungssysteme abgedeckt wurde. Heute arbeiten in der Abteilung über 60 Mitarbeiter/-innen aus verschiedenen Ingenieurwissenschaften, der Informatik, Psychologie, Biologie, Mathematik, Physik u. a. interdisziplinär zusammen. In der Abteilung Ergonomie und Führungssysteme werden Konzepte, Methoden und Werkzeuge zur benutzerzentrierten Gestaltung von Führungs- und Führungsinformationssysteme erforscht, entwickelt und angewandt. Aufbauend auf ergonomischen Anforderungsanalysen werden innovative Mensch-Maschine-Schnittstellen konzipiert, in Form von Prototypen realisiert und hinsichtlich ihrer nutzergerechten Gestaltung in Feld- und Laborstudien evaluiert. Grobgliederung anhand der Schwerpunkte von Forschung und Entwicklung: - Gestaltung und Bewertung von Mensch-Maschine-Systemen, - 3D-Visualisierung und Interaktion, - Führung unbemannter Robotersysteme, - Methoden zur ergonomischen Bewertung. In ca. 25 wissenschaftlichen Beiträgen wird in diesem Herausgeberwerk das Spektrum der Arbeiten im Bereich Ergonomie und Mensch-Maschine-Systeme dargestellt. Autoren sind aktive und ehemalige wissenschaftliche Mitarbeiter und Professoren des Institutes.

Data Mining

Author : Ian H. Witten
ISBN : 3446215336
Genre :
File Size : 62. 14 MB
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