Multiscale Simulations for Electrochemical Devices,
Автор: Barbara Kirchner; Jadran Vrabec Название: Multiscale Molecular Methods in Applied Chemistry ISBN: 3642270581 ISBN-13(EAN): 9783642270581 Издательство: Springer Рейтинг: Цена: 304750.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Abrol, J. Pascal, J. di Dio and J. Luzar.-Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J.
Автор: Alejandro A. Franco; Marie Liesse Doublet; Wolfgan Название: Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage ISBN: 1447170660 ISBN-13(EAN): 9781447170662 Издательство: Springer Рейтинг: Цена: 95770.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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: 76550.00 T 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: Bagaturyants Название: Multiscale Modeling in Nanophotonics ISBN: 9814774405 ISBN-13(EAN): 9789814774406 Издательство: Taylor&Francis Рейтинг: Цена: 118410.00 T 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).
Автор: Andrzej Kolinski Название: Multiscale Approaches to Protein Modeling ISBN: 1489982361 ISBN-13(EAN): 9781489982360 Издательство: Springer Рейтинг: Цена: 174130.00 T 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: 130590.00 T 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.
Автор: Bard Название: Electrochemical Dictionary ISBN: 3642295509 ISBN-13(EAN): 9783642295508 Издательство: Springer Рейтинг: Цена: 260870.00 T 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.
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.
Автор: Levi Gianluca Название: Photoinduced Molecular Dynamics in Solution: Multiscale Modelling and the Link to Ultrafast Experiments ISBN: 3030286134 ISBN-13(EAN): 9783030286132 Издательство: Springer Рейтинг: Цена: 93160.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Introduction and Background.- Theoretical and Computational Methods.- Time-Resolved Ultrafast X-Ray Scattering.- Simulations Results.- Conclusions and Outlook.
Автор: Hyungjun Kim Название: Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems ISBN: 1461427525 ISBN-13(EAN): 9781461427520 Издательство: Springer Рейтинг: Цена: 93160.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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.
Название: NMR and MRI of Electrochemical Energy Storage Materials and Devices ISBN: 1788018486 ISBN-13(EAN): 9781788018487 Издательство: Royal Society of Chemistry Рейтинг: Цена: 280190.00 T Наличие на складе: Нет в наличии. 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: Marek Orlik Название: Self-Organization in Electrochemical Systems II ISBN: 3642433227 ISBN-13(EAN): 9783642433221 Издательство: Springer Рейтинг: Цена: 174130.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: The second of two volumes, this book covers self-organisation and non-linear dynamics in electrochemical systems. Each description includes an introduction to basic concepts of nonlinear dynamics, helping the reader to a deeper understanding of core concepts.
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