Multiscale Simulations for Electrochemical Devices,
Автор: Bagaturyants Название: Multiscale Modeling in Nanophotonics ISBN: 9814774405 ISBN-13(EAN): 9789814774406 Издательство: Taylor&Francis Рейтинг: Цена: 17762.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The main content of the book is devoted to the basics of classical mechanics, quantum chemistry methods for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategy for atomistic simulation of photonic materials).
Описание: This book reviews the use of innovative physical multiscale modeling methods to deeply understand the electrochemical mechanisms and numerically simulate the structure and properties of electrochemical devices for energy storage and conversion.
Автор: Pedro Derosa, Tahir Cagin Название: Multiscale Modeling: From Atoms to Devices ISBN: 1138118249 ISBN-13(EAN): 9781138118249 Издательство: Taylor&Francis Рейтинг: Цена: 11482.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to predict an event it was not designed for, a new paradigm must be employed: multiscale modeling.
A brilliant solution to a pervasive problem, Multiscale Modeling: From Atoms to Devices offers a number of approaches for which more than one scale is explicitly considered. It provides several alternatives, from coarse-graining sampling of the atomic and mesoscale to Monte Carlo- and thermodynamic-based models that allow sampling of increasingly large scales up to multiscale models able to describe entire devices.
Beginning with common techniques for coarse-graining, the book discusses their theoretical background, advantages, and limitations. It examines the application-dependent parameterization characteristics of coarse-graining along with the "finer-trains-coarser" multiscale approach and describes three carefully selected examples in which the parameterization, although based on the same principles, depends on the actual application.
The book considers the use of ab initio and density functional theory to obtain parameters needed for larger scale models, the alternative use of density functional theory parameters in a Monte Carlo method, and the use of ab initio and density functional theory as the atomistic technique underlying the calculation of thermodynamics properties of alloy phase stability.
Highlighting one of the most challenging tasks for multiscale modelers, Multiscale Modeling: From Atoms to Devices also presents modeling for nanocomposite materials using the embedded fiber finite element method (EFFEM). It emphasizes an ensemble Monte Carlo method to high field-charge transport problems and demonstrates the practical application of modern many-body quantum theories.
The author maintains a website with additional information.
Автор: Andrzej Kolinski Название: Multiscale Approaches to Protein Modeling ISBN: 1489982361 ISBN-13(EAN): 9781489982360 Издательство: Springer Рейтинг: Цена: 26120.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions.
Автор: Martin Oliver Steinhauser Название: Computational Multiscale Modeling of Fluids and Solids ISBN: 3642094406 ISBN-13(EAN): 9783642094408 Издательство: Springer Рейтинг: Цена: 19589.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Devastatingly simple, yet hugely effective, the concept of this timely text is to provide a comprehensive overview of computational physics methods and techniques used for materials modeling on different length and time scales.
Introduction to computer simulations in modern science.- Theoretical approaches for multiscale computer simulations.- Atomic clusters and nanoparticles.- Biomolecular systems.- Nanostructured materials.- Composite materials and hybrid molecular systems.- Crystals, liquids, gases.- Thermo-mechanical properties of materials and related phenomena.- Dynamical molecular processes and related phenomena.- Multiscale phenomena.- Emerging Technologies.- Future outlook.
Описание: Presenting a greater understanding of nano- and bio-systems, this volume presents multiscale and multiphysics simulations that overcome limitations like time- and length-scales. Topics include nanoscale metal-insulator-metal junction, molecular memory, ionic transport, and more.
Electrochemical Sensors: From Working Electrodes to Functionalization and Miniaturized Devices provides an overview of the materials, preparation and fabrication methods for biosensor applications. The book introduces the field of electrochemistry and its fundamentals, also providing a practical overview of working electrodes as key components for the implementation of sensors and assays. Features covered include the prompt transfer of electrons, favorable redox behavior, biocompatibility, and inertness in terms of electrode fouling. Special attention is dedicated to analyzing the various working materials systems for electrodes used in electrochemical cells such as gold, carbon, copper, platinum and metal oxides.
This book is suitable for academics and practitioners working in the disciplines of materials science and engineering, analytical chemistry and biomedical engineering.
Описание: The aim of this book is to introduce the use of NMR and MRI methods for investigating electrochemical storage materials and devices to help both NMR spectroscopists entering the field of batteries and battery specialists seeking diagnostic methods for material and device degradation.
Автор: Bard Название: Electrochemical Dictionary ISBN: 3642295509 ISBN-13(EAN): 9783642295508 Издательство: Springer Рейтинг: Цена: 39130.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This comprehensive dictionary includes some 3000 common terms in electrochemistry and energy research, and related fields. Offers clear, precise definitions, references and more than 600 illustrations. The new edition adds more than 300 new and revised terms.
Автор: F. Lapicque; A. Storck; A.A. Wragg Название: Electrochemical Engineering and Energy ISBN: 1461360706 ISBN-13(EAN): 9781461360704 Издательство: Springer Рейтинг: Цена: 13060.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume contains the papers presented at the Third European Symposium on electrochemical engineering "Electrochemical Engineering and Energy", held on March 23- 25, 1994 in Nancy, France. This meeting was organised by the Laboratoire des Sciences du Genie Chimique, CNRS, and the Centre de Perfectionnement des Industries Chimiques, in conjunction with the Groupe Fran ais de Genie des Procectes, the Society of Chemical Industry, Dechema, and the European Federation of Chemical Engineeling. The organisers would like to thank the members of the Scientific Committee for the careful selection and refereeing of the papers. We are grateful to all contributors for the thorough preparation of their manuscripts. Thanks are due to the International Society of Electrochemistry, District Urbain de Nancy, Region Lorraine, Electticite de France, Institut National Poly technique de Lorraine, and CNRS for their support. The meeting was devoted to the role of electrochemical engineeting and its relationship to the general issue of energy. The twenty-four papers contained here represent new research results and the potential technological developments in a variety of impOltant and relevant areas of the field. The remaining three papers are expert reviews in areas of current technological concern where electrochemical engineering can clearly be seen to have major relevance to energy policy and environmental protection.
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