Download or read book Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage written by Alejandro A. Franco and published by Springer. This book was released on 2015-11-12 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to review innovative physical multiscale modeling methods which numerically simulate the structure and properties of electrochemical devices for energy storage and conversion. Written by world-class experts in the field, it revisits concepts, methodologies and approaches connecting ab initio with micro-, meso- and macro-scale modeling of components and cells. It also discusses the major scientific challenges of this field, such as that of lithium-ion batteries. This book demonstrates how fuel cells and batteries can be brought together to take advantage of well-established multi-scale physical modeling methodologies to advance research in this area. This book also highlights promising capabilities of such approaches for inexpensive virtual experimentation. In recent years, electrochemical systems such as polymer electrolyte membrane fuel cells, solid oxide fuel cells, water electrolyzers, lithium-ion batteries and supercapacitors have attracted much attention due to their potential for clean energy conversion and as storage devices. This has resulted in tremendous technological progress, such as the development of new electrolytes and new engineering designs of electrode structures. However, these technologies do not yet possess all the necessary characteristics, especially in terms of cost and durability, to compete within the most attractive markets. Physical multiscale modeling approaches bridge the gap between materials’ atomistic and structural properties and the macroscopic behavior of a device. They play a crucial role in optimizing the materials and operation in real-life conditions, thereby enabling enhanced cell performance and durability at a reduced cost. This book provides a valuable resource for researchers, engineers and students interested in physical modelling, numerical simulation, electrochemistry and theoretical chemistry.
Download or read book Electronic Structure of Materials written by Rajendra Prasad and published by Taylor & Francis. This book was released on 2013-07-23 with total page 467 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most textbooks in the field are either too advanced for students or don't adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.Developed from the author's lecture
Download or read book Progress in Industrial Mathematics Success Stories written by Manuel Cruz and published by Springer Nature. This book was released on 2021-02-07 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a panorama about the recent progress of industrial mathematics from the point of view of both industrials and researchers. The chapters correspond to a selection of the contributions presented in the "Industry Day" and in the Minisymposium "EU - MATHS - IN: Success Stories of Applications of Mathematics to Industry" organized in the framework of the International Conference ICIAM 2019 held in Valencia (Spain) on July 15-19, 2019. In the Industry Day, included for the first time in this series of Conferences, representatives of companies from different countries and several sectors presented their view about the benefits regarding the usage of mathematical tools and/or collaboration with mathematicians. The contributions of this special session were addressed to industry people. Minisymposium contributions detailed some collaborations between mathematicians and industrials that led to real benefits in several European companies. All the speakers were affiliated in some of the European National Networks that constitute the European Service Network of Mathematics for Industry and Innovation (EU-MATHS-IN).
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Download or read book Springer Handbook of Electrochemical Energy written by Cornelia Breitkopf and published by Springer. This book was released on 2016-12-05 with total page 1019 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive handbook covers all fundamentals of electrochemistry for contemporary applications. It provides a rich presentation of related topics of electrochemistry with a clear focus on energy technologies. It covers all aspects of electrochemistry starting with theoretical concepts and basic laws of thermodynamics, non-equilibrium thermodynamics and multiscale modeling. It further gathers the basic experimental methods such as potentiometry, reference electrodes, ion-sensitive electrodes, voltammetry and amperometry. The contents cover subjects related to mass transport, the electric double layer, ohmic losses and experimentation affecting electrochemical reactions. These aspects of electrochemistry are especially examined in view of specific energy technologies including batteries, polymer electrolyte and biological fuel cells, electrochemical capacitors, electrochemical hydrogen production and photoelectrochemistry. Organized in six parts, the overall complexity of electrochemistry is presented and makes this handbook an authoritative reference and definitive source for advanced students, professionals and scientists particularly interested in industrial and energy applications.
Download or read book Phase Field Methods in Materials Science and Engineering written by Nikolas Provatas and published by John Wiley & Sons. This book was released on 2011-07-26 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive and self-contained, one-stop source discusses phase-field methodology in a fundamental way, explaining advanced numerical techniques for solving phase-field and related continuum-field models. It also presents numerical techniques used to simulate various phenomena in a detailed, step-by-step way, such that readers can carry out their own code developments. Features many examples of how the methods explained can be used in materials science and engineering applications.
Download or read book Theory of Defects in Semiconductors written by David A. Drabold and published by Springer Science & Business Media. This book was released on 2007 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semiconductor science and technology is the art of defect engineering. The theoretical modeling of defects has improved dramatically over the past decade. These tools are now applied to a wide range of materials issues: quantum dots, buckyballs, spintronics, interfaces, amorphous systems, and many others. This volume presents a coherent and detailed description of the field, and brings together leaders in theoretical research. Today's state-of-the-art, as well as tomorrow’s tools, are discussed: the supercell-pseudopotential method, the GW formalism,Quantum Monte Carlo, learn-on-the-fly molecular dynamics, finite-temperature treatments, etc. A wealth of applications are included, from point defects to wafer bonding or the propagation of dislocation.
Download or read book The Gaussian Approximation Potential written by Albert Bartók-Pártay and published by Springer Science & Business Media. This book was released on 2010-07-27 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.
Download or read book Computational Methods for Plasticity written by Eduardo A. de Souza Neto and published by John Wiley & Sons. This book was released on 2011-09-21 with total page 718 pages. Available in PDF, EPUB and Kindle. Book excerpt: The subject of computational plasticity encapsulates the numerical methods used for the finite element simulation of the behaviour of a wide range of engineering materials considered to be plastic – i.e. those that undergo a permanent change of shape in response to an applied force. Computational Methods for Plasticity: Theory and Applications describes the theory of the associated numerical methods for the simulation of a wide range of plastic engineering materials; from the simplest infinitesimal plasticity theory to more complex damage mechanics and finite strain crystal plasticity models. It is split into three parts - basic concepts, small strains and large strains. Beginning with elementary theory and progressing to advanced, complex theory and computer implementation, it is suitable for use at both introductory and advanced levels. The book: Offers a self-contained text that allows the reader to learn computational plasticity theory and its implementation from one volume. Includes many numerical examples that illustrate the application of the methodologies described. Provides introductory material on related disciplines and procedures such as tensor analysis, continuum mechanics and finite elements for non-linear solid mechanics. Is accompanied by purpose-developed finite element software that illustrates many of the techniques discussed in the text, downloadable from the book’s companion website. This comprehensive text will appeal to postgraduate and graduate students of civil, mechanical, aerospace and materials engineering as well as applied mathematics and courses with computational mechanics components. It will also be of interest to research engineers, scientists and software developers working in the field of computational solid mechanics.
Download or read book Lithium ion Batteries written by and published by . This book was released on 2019 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This is the first machine-generated scientific book in chemistry published by Springer Nature. Serving as an innovative prototype defining the current status of the technology, it also provides an overview about the latest trends of lithium-ion batteries research. This book explores future ways of informing researchers and professionals. State-of-the-art computer algorithms were applied to: select relevant sources from Springer Nature publications, arrange these in a topical order, and provide succinct summaries of these articles. The result is a cross-corpora auto-summarization of current texts, organized by means of a similarity-based clustering routine in coherent chapters and sections. This book summarizes more than 150 research articles published from 2016 to 2018 and provides an informative and concise overview of recent research into anode and cathode materials as well as further aspects such as separators, polymer electrolytes, thermal behavior and modelling. With this prototype, Springer Nature has begun an innovative journey to explore the field of machine-generated content and to find answers to the manifold questions on this fascinating topic. Therefore it was intentionally decided not to manually polish or copy-edit any of the texts so as to highlight the current status and remaining boundaries of machine-generated content. Our goal is to initiate a broad discussion, together with the research community and domain experts, about the future opportunities, challenges and limitations of this technology."--Publisher's website.
Download or read book Crystallography and Crystal Defects written by Anthony Kelly and published by John Wiley & Sons. This book was released on 2000-04-17 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystallography and Crystal Defects Revised Edition A. Kelly, Churchill College, Cambridge, UK G. W. Groves, Exeter College, Oxford, UK and P. Kidd, Queen Mary and Westfield College, University of London, UK The concepts of crystallography are introduced here in such a way that the physical properties of crystals, including their mechanical behaviour, can be better understood and quantified. A unique approach to the treatment of crystals and their defects is taken in that the often separate disciplines of crystallography, tensor analysis, elasticity and dislocation theory are combined in such a way as to equip materials scientists with knowledge of all the basic principles required to interpret data from their experiments. This is a revised and updated version of the widely acclaimed book by Kelly and Groves that was first published nearly thirty years ago. The material remains timely and relevant and the first edition still holds an unrivalled position at the core of the teaching of crystallography and crystal defects today. Undergraduate readers will acquire a rigorous grounding, from first principles, in the crystal classes and the concept of a lattice and its defects and their descriptions using vectors. Researchers will find here all the theorems of crystal structure upon which to base their work and the equations necessary for calculating interplanar spacings, transformation of indices and manipulations involving the stereographic projection and transformations of tensors and matrices.
Download or read book Na ion Batteries written by and published by John Wiley & Sons. This book was released on 2021-05-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers both the fundamental and applied aspects of advanced Na-ion batteries (NIB) which have proven to be a potential challenger to Li-ion batteries. Both the chemistry and design of positive and negative electrode materials are examined. In NIB, the electrolyte is also a crucial part of the batteries and the recent research, showing a possible alternative to classical electrolytes – with the development of ionic liquid-based electrolytes – is also explored. Cycling performance in NIB is also strongly associated with the quality of the electrode-electrolyte interface, where electrolyte degradation takes place; thus, Na-ion Batteries details the recent achievements in furthering knowledge of this interface. Finally, as the ultimate goal is commercialization of this new electrical storage technology, the last chapters are dedicated to the industrial point of view, given by two startup companies, who developed two different NIB chemistries for complementary applications and markets.
Download or read book Introduction to Genetic Algorithms written by S.N. Sivanandam and published by Springer Science & Business Media. This book was released on 2007-10-24 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a basic introduction to genetic algorithms. It provides a detailed explanation of genetic algorithm concepts and examines numerous genetic algorithm optimization problems. In addition, the book presents implementation of optimization problems using C and C++ as well as simulated solutions for genetic algorithm problems using MATLAB 7.0. It also includes application case studies on genetic algorithms in emerging fields.
Download or read book Neutron Scattering written by and published by Academic Press. This book was released on 2013-11-22 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work covers in some detail the application of neutron scattering to different fields of physics, materials science, chemistry, biology, the earth sciences and engineering. Its goal is to enable researchers in a particular area to identify aspects of their work in which neutron scattering techniques might contribute, conceive the important experiments to be done, assess what is required to carry them out, write a successful proposal for one of the major user facilities, and perform the experiments under the guidance of the appropriate instrument scientist. The authors of the various chapters take account of the advances in experimental techniques over the past 25 years--for example, neutron reflectivity and spin-echo spectroscopy and techniques for probing the dynamics of complex materials and biological systems. Furthermore, with the third-generation spallation sources recently constructed in the United States and Japan and in the advanced planning stage in Europe, there is an increasing interest in time-of-flight techniques and short wavelengths. Correspondingly, the improved performance of cold moderators at both reactors and spallation sources has extended the long-wavelength capabilities. - Chapter authors are pre-eminent in their field - Seminal experiments are presented as examples - Provides guidance on how to plan, execute and analyse experiments
Download or read book Ionic Liquids written by Suojiang Zhang and published by Elsevier. This book was released on 2009-06-13 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive database on physical properties of pure ionic liquids (ILs) contains data collected from 269 peer-reviewed papers in the period from 1982 to June 2008. There are more than 9,400 data points on the 29 kinds of physicochemical properties for 1886 available ionic liquids, from which 807 kinds of cations and 185 kinds of anions were extracted. This book includes nearly all known pure ILs and their known physicochemical properties through June 2008. In addition, the authors incorporate the main applications of individual ILs and a large number of references. - Nearly 50 tables include typical data, experimental and modelling or simulation comparison, and model parameters, enhancing the application of ILs - 100 figures--from QSPR, EOS and gE models to quantum and molecular simulations--help readers understand ILs at molecular level - Applications illustrate the role of IL properties in industry, in particular the development of novel clean processes and products
Download or read book Diffusion in Condensed Matter written by Paul Heitjans and published by Springer Science & Business Media. This book was released on 2006-01-16 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive, handbook-style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. It is understood and presented as a phenomenon of crucial relevance for a large variety of processes and materials. In this book, all aspects of the theoretical fundamentals, experimental techniques, highlights of current developments and results for solids, liquids and interfaces are presented.
