Computational technologies in materials science, Shubham Tayal
Автор: Ponnadurai Ramasami Название: Computational Chemistry: Applications and New Technologies ISBN: 3110682001 ISBN-13(EAN): 9783110682007 Издательство: Walter de Gruyter Рейтинг: Цена: 24909.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Computational Chemistry serves as a complement to experimental chemistry where the tools are limited. Using computational programs to solve advanced problems is widely used in the design and analysis of for example new molecules, surfaces, drugs and materials. This book will present novel innovations in the field, with real-life examples of where computational technologies serves as an indispensible tool.
This book is primarily for a first one-semester course on CFD; in mechanical, chemical, and aeronautical engineering. Almost all the existing books on CFD assume knowledge of mathematics in general and differential calculus as well as numerical methods in particular; thus, limiting the readership mostly to the postgraduate curriculum. In this book, an attempt is made to simplify the subject even for readers who have little or no experience in CFD, and without prior knowledge of fluid-dynamics, heattransfer and numerical-methods. The major emphasis is on simplification of the mathematics involved by presenting physical-law (instead of the traditional differential equations) based algebraic-formulations, discussions, and solution-methodology. The physical law based simplified CFD approach (proposed in this book for the first time) keeps the level of mathematics to school education, and also allows the reader to intuitively get started with the computer-programming. Another distinguishing feature of the present book is to effectively link the theory with the computer-program (code). This is done with more pictorial as well as detailed explanation of the numerical methodology. Furthermore, the present book is structured for a module-by-module code-development of the two-dimensional numerical formulation; the codes are given for 2D heat conduction, advection and convection. The present subject involves learning to develop and effectively use a product - a CFD software. The details for the CFD development presented here is the main part of a CFD software. Furthermore, CFD application and analysis are presented by carefully designed example as well as exercise problems; not only limited to fluid dynamics but also includes heat transfer. The reader is trained for a job as CFD developer as well as CFD application engineer; and can also lead to start-ups on the development of "apps" (customized CFD software) for various engineering applications.
"Atul has championed the finite volume method which is now the industry standard. He knows the conventional method of discretizing differential equations but has never been satisfied with it. As a result, he has developed a principle that physical laws that characterize the differential equations should be reflected at every stage of discretization and every stage of approximation. This new CFD book is comprehensive and has a stamp of originality of the author. It will bring students closer to the subject and enable them to contribute to it." --Dr. K. Muralidhar, IIT Kanpur, INDIA
Автор: Turab Lookman Название: Materials Discovery and Design ISBN: 3319994646 ISBN-13(EAN): 9783319994642 Издательство: Springer Рейтинг: Цена: 23757.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: 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.
The Handbook of Silicon Based MEMS Materials and Technologies, Second Edition, is a comprehensive guide to MEMS materials, technologies, and manufacturing that examines the state-of-the-art with a particular emphasis on silicon as the most important starting material used in MEMS.
The book explains the fundamentals, properties (mechanical, electrostatic, optical, etc.), materials selection, preparation, manufacturing, processing, system integration, measurement, and materials characterization techniques, sensors, and multi-scale modeling methods of MEMS structures, silicon crystals, and wafers, also covering micromachining technologies in MEMS and encapsulation of MEMS components.
Furthermore, it provides vital packaging technologies and process knowledge for silicon direct bonding, anodic bonding, glass frit bonding, and related techniques, shows how to protect devices from the environment, and provides tactics to decrease package size for a dramatic reduction in costs.
Описание: 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.
Автор: Tilli, Markku Название: Handbook Of Silicon Based Mems Materials And Technologies 3 ed. ISBN: 0128177861 ISBN-13(EAN): 9780128177860 Издательство: Elsevier Science Рейтинг: Цена: 39582.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Handbook of Silicon Based MEMS Materials and Technologies, Third Edition is a comprehensive guide to MEMS materials, technologies and manufacturing that examines the state-of-the-art, with a particular emphasis on silicon as the most important starting material used in MEMS. The book explains the fundamentals, properties (mechanical, electrostatic, optical, etc.), materials selection, preparation, manufacturing, processing, system integration, measurement, materials characterization techniques, sensors, and multiscale modeling methods of MEMS structures, silicon crystals and wafers, also covering micromachining technologies in MEMS and encapsulation of MEMS components.
This new edition provides coverage of innovative 3D packaging technologies and process knowledge for silicon direct bonding, anodic bonding, glass frit bonding, and related techniques, shows how to protect devices from the environment, and provides tactics to decrease package size for a dramatic reduction in costs. The new edition includes coverage of new processing techniques, emerging water bonding techniques, and reliability that were not included in the previous edition. A new section on process integration features numerous case studies, showing how MEMS technology is being used in industry.
Автор: Jianguo Wang, Yuan Junjie Название: Polymer Synthesis: Methods and Technologies ISBN: 3110596342 ISBN-13(EAN): 9783110596342 Издательство: Walter de Gruyter Рейтинг: Цена: 12822.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
The book systematically presents fundamental principles, properties, implementation methodologies, technologies and applications of polymer synthesis. Ring opening metathesis polymerization, click chemistry, macromolecular self-assembly, carbon nanomaterials and their modification with polymers are discussed in detail. With abundant illustrations, it is an essential reference for polymer chemists, material scientists, and graduate students.
Описание: This book introduces a new technology to develop environmentally friendly fire-resistant paper using highly flexible ultralong hydroxyapatite nanowires and discusses applications and potential for commercialization.
Автор: Vivek V. Ranade, Sanjay M Mahajani, Ganesh Arunkum Название: Computational Modeling of Underground Coal Gasification ISBN: 1138091596 ISBN-13(EAN): 9781138091597 Издательство: Taylor&Francis Рейтинг: Цена: 29093.00 р. Наличие на складе: Нет в наличии.
Описание: The book deals with development of comprehensive computational models for simulating underground coal gasification (UCG). It starts with an introduction to the UCG process and discuss known process models with relative merits and limitations of the modeling approaches are highlighted and compared.
Описание: Measurement techniques form the basis of scientific, engineering, and industrial innovations. The methods and instruments of measurement for different fields are constantly improving, and it’s necessary to address not only their significance but also the challenges and issues associated with them.Strategic Applications of Measurement Technologies and Instrumentation is a collection of innovative research on the methods and applications of measurement techniques in medical and scientific discoveries, as well as modern industrial applications. The book is divided into two sections with the first focusing on the significance of measurement strategies in physics and biomedical applications and the second examining measurement strategies in industrial applications. Highlighting a range of topics including material assessment, measurement strategies, and nanoscale materials, this book is ideally designed for engineers, academicians, researchers, scientists, software developers, graduate students, and industry professionals.
Автор: Harvey, Jeremy Название: Computational Chemistry (Paperback) ISBN: 0198755503 ISBN-13(EAN): 9780198755500 Издательство: Oxford Academ Рейтинг: Цена: 5701.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The powerful and versatile applications of computational chemistry are covered succinctly and clearly in this primer, making it an ideal introduction for those new to the field.
Автор: Taku Onishi Название: Quantum Computational Chemistry ISBN: 9811059322 ISBN-13(EAN): 9789811059322 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Нет в наличии.
Описание:
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.
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