Hierarchical Materials Informatics

Author : Surya R. Kalidindi
Publisher : Elsevier
Page : 230 pages
File Size : 47,8 Mb
Release : 2015-08-06
Category : Technology & Engineering
ISBN : 9780124104556

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Hierarchical Materials Informatics by Surya R. Kalidindi Pdf

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)

Author : Krishnan K. Sankaran,Rajiv S. Mishra
Publisher : Elsevier
Page : 506 pages
File Size : 51,5 Mb
Release : 2017-06-14
Category : Technology & Engineering
ISBN : 9780128120255

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Metallurgy and Design of Alloys with Hierarchical Microstructures by Krishnan K. Sankaran,Rajiv S. Mishra Pdf

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

Author : Olexandr Isayev,Alexander Tropsha,Stefano Curtarolo
Publisher : John Wiley & Sons
Page : 304 pages
File Size : 53,8 Mb
Release : 2019-12-04
Category : Technology & Engineering
ISBN : 9783527341214

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Materials Informatics by Olexandr Isayev,Alexander Tropsha,Stefano Curtarolo Pdf

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.

Author : Keisuke Takahashi
Publisher : Springer Nature
Page : 301 pages
File Size : 50,9 Mb
Release : 2024-05-01
Category : Electronic
ISBN : 9789819702176

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Materials Informatics and Catalysts Informatics by Keisuke Takahashi Pdf

Author : Anand Balu Nellippallil,Janet K. Allen,B. P. Gautham,Amarendra K. Singh,Farrokh Mistree
Publisher : Springer Nature
Page : 368 pages
File Size : 42,6 Mb
Release : 2020-06-13
Category : Technology & Engineering
ISBN : 9783030453244

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Architecting Robust Co-Design of Materials, Products, and Manufacturing Processes by Anand Balu Nellippallil,Janet K. Allen,B. P. Gautham,Amarendra K. Singh,Farrokh Mistree Pdf

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).

Author : Dongwon Shin,James Saal
Publisher : Springer
Page : 233 pages
File Size : 53,8 Mb
Release : 2017-11-10
Category : Technology & Engineering
ISBN : 9783319682808

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Computational Materials System Design by Dongwon Shin,James Saal Pdf

This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.

Author : Anonim
Publisher : World Scientific
Page : 1001 pages
File Size : 50,5 Mb
Release : 2020-03-10
Category : Computers
ISBN : 9789811204586

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Handbook On Big Data And Machine Learning In The Physical Sciences (In 2 Volumes) by Anonim Pdf

This compendium provides a comprehensive collection of the emergent applications of big data, machine learning, and artificial intelligence technologies to present day physical sciences ranging from materials theory and imaging to predictive synthesis and automated research. This area of research is among the most rapidly developing in the last several years in areas spanning materials science, chemistry, and condensed matter physics.Written by world renowned researchers, the compilation of two authoritative volumes provides a distinct summary of the modern advances in instrument — driven data generation and analytics, establishing the links between the big data and predictive theories, and outlining the emerging field of data and physics-driven predictive and autonomous systems.

Author : Chen Qu,Hanchao Liu
Publisher : Springer Nature
Page : 323 pages
File Size : 55,7 Mb
Release : 2023-11-02
Category : Computers
ISBN : 9783031371967

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Machine Learning in Molecular Sciences by Chen Qu,Hanchao Liu Pdf

Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.

Author : Nicola Maria Pugno,Valeria Cannillo,Huanyang Chen,Jie-Sheng Chen,Jinn P. Chu,Liming Dai,Douglas Soares Galvao,Vincent G. Harris,Weihua Li,Alessandro Pegoretti,John L. Provis,Guang-Ling Song,Peide Ye
Publisher : Frontiers Media SA
Page : 189 pages
File Size : 41,5 Mb
Release : 2022-08-23
Category : Technology & Engineering
ISBN : 9782889761630

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Horizons in Materials by Nicola Maria Pugno,Valeria Cannillo,Huanyang Chen,Jie-Sheng Chen,Jinn P. Chu,Liming Dai,Douglas Soares Galvao,Vincent G. Harris,Weihua Li,Alessandro Pegoretti,John L. Provis,Guang-Ling Song,Peide Ye Pdf

The Frontiers in Materials Editorial Office team are delighted to present the “Horizons in Materials” article collection, showcasing high-impact, authoritative, and accessible Review articles covering important topics at the forefront of the materials science and engineering field. All contributing authors were nominated by the Chief Editors and Editorial Office in recognition of their prominence and influence in their respective fields. The cutting-edge work presented in this article collection highlights the diversity of research performed across the entire breadth of the materials science and engineering field and reflects on the latest advances in theory, experiment, and methodology with applications to compelling problems. This Editorial features the corresponding author(s) of each paper published within this important collection, ordered by section alphabetically, highlighting them as the great researchers of the future. The Frontiers in Materials Chief Editors and Editorial Office team would like to thank each researcher who contributed their work to this collection. We are excited to see each article gain the deserved visibility and traction within the wider community, ensuring the collection’s truly global impact and success. Emily Young Journal Manager

Author : Lobos Fernández, Mauricio
Publisher : KIT Scientific Publishing
Page : 224 pages
File Size : 45,7 Mb
Release : 2018-07-09
Category : Electronic
ISBN : 9783731507703

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Homogenization and materials design of mechanical properties of textured materials based on zeroth-, first- and second-order bounds of linear behavior by Lobos Fernández, Mauricio Pdf

Author : Sidney Yip,Tomas Diaz Rubia
Publisher : Springer Science & Business Media
Page : 396 pages
File Size : 54,9 Mb
Release : 2010-04-07
Category : Science
ISBN : 9781402097416

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Scientific Modeling and Simulations by Sidney Yip,Tomas Diaz Rubia Pdf

Although computational modeling and simulation of material deformation was initiated with the study of structurally simple materials and inert environments, there is an increasing demand for predictive simulation of more realistic material structure and physical conditions. In particular, it is recognized that applied mechanical force can plausibly alter chemical reactions inside materials or at material interfaces, though the fundamental reasons for this chemomechanical coupling are studied in a material-speci c manner. Atomistic-level s- ulations can provide insight into the unit processes that facilitate kinetic reactions within complex materials, but the typical nanosecond timescales of such simulations are in contrast to the second-scale to hour-scale timescales of experimentally accessible or technologically relevant timescales. Further, in complex materials these key unit processes are “rare events” due to the high energy barriers associated with those processes. Examples of such rare events include unbinding between two proteins that tether biological cells to extracellular materials [1], unfolding of complex polymers, stiffness and bond breaking in amorphous glass bers and gels [2], and diffusive hops of point defects within crystalline alloys [3].

Author : Warren Poole,Steve Christensen,Surya Kalidindi,Alan A. Luo,Jonathan Madison,Dierk Raabe,Xin Sun
Publisher : John Wiley & Sons
Page : 394 pages
File Size : 40,5 Mb
Release : 2015-05-08
Category : Technology & Engineering
ISBN : 9781119139522

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Proceedings of the 3rd World Congress on Integrated Computational Materials Engineering (ICME) by Warren Poole,Steve Christensen,Surya Kalidindi,Alan A. Luo,Jonathan Madison,Dierk Raabe,Xin Sun Pdf

This book represents a collection of papers presented at the 3rd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS), and held in Colorado Springs, Colorado, May 31 - June 4, 2015. This meeting convened ICME stakeholders to examine topics relevant to the global advancement of ICME as an engineering discipline. The 42 papers presented in these proceedings are divided into six sections: (1) ICME Applications; (2) ICME Building Blocks; (3) ICME Success Stories and Applications (4) Integration of ICME Building Blocks: Multi-scale Modeling; (5) Modeling, Data and Infrastructure Tools, and (6) Process Optimization. The papers represent a cross section of the presentations and discussions from the conference. These papers are intended to further the global implementation of ICME, broaden the variety of applications to which ICME is applied, and ultimately help industry design and produce new materials more efficiently and effectively.

Author : Katsuhiko Ariga,Omar Azzaroni
Publisher : Elsevier
Page : 648 pages
File Size : 47,8 Mb
Release : 2023-12-15
Category : Technology & Engineering
ISBN : 9780323994736

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Materials Nanoarchitectonics by Katsuhiko Ariga,Omar Azzaroni Pdf

Materials Nanoarchitectonics: From Integrated Molecular Systems to Advanced Devices provides the latest information on the design and molecular manipulation of self-organized hierarchically structured systems using tailor-made nanoscale materials as structural and functional units. The book is organized into three main sections that focus on molecular design of building blocks and hybrid materials, formation of nanostructures, and applications and devices. Bringing together emerging materials, synthetic aspects, nanostructure strategies, and applications, the book aims to support further progress, by offering different perspectives and a strong interdisciplinary approach to this rapidly growing area of innovation. This is an extremely valuable resource for researchers, advanced students, and scientists in industry, with an interest in nanoarchitectonics, nanostructures, and nanomaterials, or across the areas of nanotechnology, chemistry, surface science, polymer science, electrical engineering, physics, chemical engineering, and materials science. Offers a nanoarchitectonic perspective on emerging fields, such as metal-organic frameworks, porous polymer materials, or biomimetic nanostructures Discusses different approaches to utilizing "soft chemistry" as a source for hierarchically organized materials Offers an interdisciplinary approach to the design and construction of integrated chemical nano systems Discusses novel approaches towards the creation of complex multiscale architectures

Author : Norbert Huber,Surya R. Kalidindi,Stefan Blügel,Wolfgang Wenzel
Publisher : Frontiers Media SA
Page : 197 pages
File Size : 44,8 Mb
Release : 2022-08-02
Category : Technology & Engineering
ISBN : 9782889766772

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Virtual Materials Design by Norbert Huber,Surya R. Kalidindi,Stefan Blügel,Wolfgang Wenzel Pdf

Author : David L. McDowell,Jitesh Panchal,Hae-Jin Choi,Carolyn Seepersad,Janet Allen,Farrokh Mistree
Publisher : Butterworth-Heinemann
Page : 392 pages
File Size : 40,7 Mb
Release : 2009-09-30
Category : Technology & Engineering
ISBN : 0080952208

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Integrated Design of Multiscale, Multifunctional Materials and Products by David L. McDowell,Jitesh Panchal,Hae-Jin Choi,Carolyn Seepersad,Janet Allen,Farrokh Mistree Pdf

Integrated Design of Multiscale, Multifunctional Materials and Products is the first of its type to consider not only design of materials, but concurrent design of materials and products. In other words, materials are not just selected on the basis of properties, but the composition and/or microstructure iw designed to satisfy specific ranged sets of performance requirements. This book presents the motivation for pursuing concurrent design of materials and products, thoroughly discussing the details of multiscale modeling and multilevel robust design and provides details of the design methods/strategies along with selected examples of designing material attributes for specified system performance. It is intended as a monograph to serve as a foundational reference for instructors of courses at the senior and introductory graduate level in departments of materials science and engineering, mechanical engineering, aerospace engineering and civil engineering who are interested in next generation systems-based design of materials. First of its kind to consider not only design of materials, but concurrent design of materials and products Treatment of uncertainty via robust design of materials Integrates the "materials by design approach" of Olson/Ques Tek LLC with the "materials selection" approach of Ashby/Granta Distinquishes the processes of concurrent design of materials and products as an overall systems design problem from the field of multiscale modeling Systematic mathematical algorithms and methods are introduced for robust design of materials, rather than ad hoc heuristics--it is oriented towards a true systems approach to design of materials and products