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Lanczos And Recursion Techniques For Multiscale Kinetic Monte Carlo Simulations
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Book Synopsis Lanczos and Recursion Techniques for Multiscale Kinetic Monte Carlo Simulations by :
Download or read book Lanczos and Recursion Techniques for Multiscale Kinetic Monte Carlo Simulations written by and published by . This book was released on 2006 with total page 19 pages. Available in PDF, EPUB and Kindle. Book excerpt: We review an approach to the simulation of the class of microstructural and morphological evolution involving both relatively short-ranged chemical and interfacial interactions and long-ranged elastic interactions. The calculation of the anharmonic elastic energy is facilitated with Lanczos recursion. The elastic energy changes affect the rate of vacancy hopping, and hence the rate of microstructural evolution due to vacancy mediated diffusion. The elastically informed hopping rates are used to construct the event catalog for kinetic Monte Carlo simulation. The simulation is accelerated using a second order residence time algorithm. The effect of elasticity on the microstructural development has been assessed. This article is related to a talk given in honor of David Pettifor at the DGP60 Workshop in Oxford.
Download or read book Multiscale Methods written by Jacob Fish and published by Oxford University Press. This book was released on 2010 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during thetransfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness?The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of errorestimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biologicalsystems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales.This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.
Book Synopsis Understanding and Mitigating Ageing in Nuclear Power Plants by : Philip G Tipping
Download or read book Understanding and Mitigating Ageing in Nuclear Power Plants written by Philip G Tipping and published by Elsevier. This book was released on 2010-10-26 with total page 953 pages. Available in PDF, EPUB and Kindle. Book excerpt: Plant life management (PLiM) is a methodology focussed on the safety-first management of nuclear power plants over their entire lifetime. It incorporates and builds upon the usual periodic safety reviews and licence renewals as part of an overall framework designed to assist plant operators and regulators in assessing the operating conditions of a nuclear power plant, and establishing the technical and economic requirements for safe, long-term operation. Understanding and mitigating ageing in nuclear power plants critically reviews the fundamental ageing-degradation mechanisms of materials used in nuclear power plant structures, systems and components (SSC), along with their relevant analysis and mitigation paths, as well as reactor-type specific PLiM practices. Obsolescence and other less obvious ageing-related aspects in nuclear power plant operation are also examined in depth. Part one introduces the reader to the role of nuclear power in the global energy mix, and the importance and relevance of plant life management for the safety regulation and economics of nuclear power plants. Key ageing degradation mechanisms and their effects in nuclear power plant systems, structures and components are reviewed in part two, along with routes taken to characterise and analyse the ageing of materials and to mitigate or eliminate ageing degradation effects. Part three reviews analysis, monitoring and modelling techniques applicable to the study of nuclear power plant materials, as well as the application of advanced systems, structures and components in nuclear power plants. Finally, Part IV reviews the particular ageing degradation issues, plant designs, and application of plant life management (PLiM) practices in a range of commercial nuclear reactor types. With its distinguished international team of contributors, Understanding and mitigating ageing in nuclear power plants is a standard reference for all nuclear plant designers, operators, and nuclear safety and materials professionals and researchers. Introduces the reader to the role of nuclear power in the global energy mix Reviews the fundamental ageing-degradation mechanisms of materials used in nuclear power plant structures, systems and components (SSC) Examines topics including elimination of ageing effects, plant design, and the application of plant life management (PLiM) practices in a range of commercial nuclear reactor types
Book Synopsis Tensor Network Contractions by : Shi-Ju Ran
Download or read book Tensor Network Contractions written by Shi-Ju Ran and published by Springer Nature. This book was released on 2020-01-27 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: Tensor network is a fundamental mathematical tool with a huge range of applications in physics, such as condensed matter physics, statistic physics, high energy physics, and quantum information sciences. This open access book aims to explain the tensor network contraction approaches in a systematic way, from the basic definitions to the important applications. This book is also useful to those who apply tensor networks in areas beyond physics, such as machine learning and the big-data analysis. Tensor network originates from the numerical renormalization group approach proposed by K. G. Wilson in 1975. Through a rapid development in the last two decades, tensor network has become a powerful numerical tool that can efficiently simulate a wide range of scientific problems, with particular success in quantum many-body physics. Varieties of tensor network algorithms have been proposed for different problems. However, the connections among different algorithms are not well discussed or reviewed. To fill this gap, this book explains the fundamental concepts and basic ideas that connect and/or unify different strategies of the tensor network contraction algorithms. In addition, some of the recent progresses in dealing with tensor decomposition techniques and quantum simulations are also represented in this book to help the readers to better understand tensor network. This open access book is intended for graduated students, but can also be used as a professional book for researchers in the related fields. To understand most of the contents in the book, only basic knowledge of quantum mechanics and linear algebra is required. In order to fully understand some advanced parts, the reader will need to be familiar with notion of condensed matter physics and quantum information, that however are not necessary to understand the main parts of the book. This book is a good source for non-specialists on quantum physics to understand tensor network algorithms and the related mathematics.
Book Synopsis Density Functional Methods In Physics by : Reiner M. Dreizler
Download or read book Density Functional Methods In Physics written by Reiner M. Dreizler and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Software for Exascale Computing - SPPEXA 2016-2019 by : Hans-Joachim Bungartz
Download or read book Software for Exascale Computing - SPPEXA 2016-2019 written by Hans-Joachim Bungartz and published by Springer Nature. This book was released on 2020-07-30 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.
Author :Wilhelmus H. Schilders Publisher :Springer Science & Business Media ISBN 13 :3540788417 Total Pages :471 pages Book Rating :4.5/5 (47 download)
Book Synopsis Model Order Reduction: Theory, Research Aspects and Applications by : Wilhelmus H. Schilders
Download or read book Model Order Reduction: Theory, Research Aspects and Applications written by Wilhelmus H. Schilders and published by Springer Science & Business Media. This book was released on 2008-08-27 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: The idea for this book originated during the workshop “Model order reduction, coupled problems and optimization” held at the Lorentz Center in Leiden from S- tember 19–23, 2005. During one of the discussion sessions, it became clear that a book describing the state of the art in model order reduction, starting from the very basics and containing an overview of all relevant techniques, would be of great use for students, young researchers starting in the ?eld, and experienced researchers. The observation that most of the theory on model order reduction is scattered over many good papers, making it dif?cult to ?nd a good starting point, was supported by most of the participants. Moreover, most of the speakers at the workshop were willing to contribute to the book that is now in front of you. The goal of this book, as de?ned during the discussion sessions at the workshop, is three-fold: ?rst, it should describe the basics of model order reduction. Second, both general and more specialized model order reduction techniques for linear and nonlinear systems should be covered, including the use of several related numerical techniques. Third, the use of model order reduction techniques in practical appli- tions and current research aspects should be discussed. We have organized the book according to these goals. In Part I, the rationale behind model order reduction is explained, and an overview of the most common methods is described.
Book Synopsis Data Assimilation for Atmospheric, Oceanic and Hydrologic Applications (Vol. II) by : Seon Ki Park
Download or read book Data Assimilation for Atmospheric, Oceanic and Hydrologic Applications (Vol. II) written by Seon Ki Park and published by Springer Science & Business Media. This book was released on 2013-05-22 with total page 736 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the most recent progress in data assimilation in meteorology, oceanography and hydrology including land surface. It spans both theoretical and applicative aspects with various methodologies such as variational, Kalman filter, ensemble, Monte Carlo and artificial intelligence methods. Besides data assimilation, other important topics are also covered including targeting observation, sensitivity analysis, and parameter estimation. The book will be useful to individual researchers as well as graduate students for a reference in the field of data assimilation.
Book Synopsis Near-Surface Applied Geophysics by : Mark E. Everett
Download or read book Near-Surface Applied Geophysics written by Mark E. Everett and published by Cambridge University Press. This book was released on 2013-04-25 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: Just a few meters below the Earth's surface lie features of great importance, from geological faults which can produce devastating earthquakes, to lost archaeological treasures. This refreshing, up-to-date book explores the foundations of interpretation theory and the latest developments in near-surface techniques, used to complement traditional geophysical methods for deep-exploration targets. Clear but rigorous, the book explains theory and practice in simple physical terms, supported by intermediate-level mathematics. Techniques covered include magnetics, resistivity, seismic reflection and refraction, surface waves, induced polarization, self-potential, electromagnetic induction, ground-penetrating radar, magnetic resonance, interferometry, seismoelectric and more. Sections on data analysis and inverse theory are provided and chapters are illustrated by case studies, giving students and professionals the tools to plan, conduct and analyze a near-surface geophysical survey. This is an important textbook for advanced-undergraduate and graduate students in geophysics and a valuable reference for practising geophysicists, geologists, hydrologists, archaeologists, and civil and geotechnical engineers.
Book Synopsis XAFS Techniques for Catalysts, Nanomaterials, and Surfaces by : Yasuhiro Iwasawa
Download or read book XAFS Techniques for Catalysts, Nanomaterials, and Surfaces written by Yasuhiro Iwasawa and published by Springer. This book was released on 2016-10-19 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a comprehensive, theoretical, practical, and thorough guide to XAFS spectroscopy. The book addresses XAFS fundamentals such as experiments, theory and data analysis, advanced XAFS methods such as operando XAFS, time-resolved XAFS, spatially resolved XAFS, total-reflection XAFS, high energy resolution XAFS, and practical applications to a variety of catalysts, nanomaterials and surfaces. This book is accessible to a broad audience in academia and industry, and will be a useful guide for researchers entering the subject and graduate students in a wide variety of disciplines.
Book Synopsis Statistical Modeling by Wavelets by : Brani Vidakovic
Download or read book Statistical Modeling by Wavelets written by Brani Vidakovic and published by Wiley-Interscience. This book was released on 2013-05-10 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Statistical Modeling by Wavelets, Second Edition compiles, organizes, and explains research data previously made available only in disparate journal articles. The author carefully balances both statistical and mathematical techniques, supplementing the material with a wealth of examples, more than 100 illustrations, extensive references with data sets, and MatLab® and WaveLab® wavelet overviews made available for downloading over the Internet. Accessible to anyone with a background in advanced calculus and algebra, this book has become the standard reference for statisticians and engineers seeking a comprehensive introduction to an ever-changing field.
Book Synopsis Coarse-Graining of Condensed Phase and Biomolecular Systems by : Gregory A. Voth
Download or read book Coarse-Graining of Condensed Phase and Biomolecular Systems written by Gregory A. Voth and published by CRC Press. This book was released on 2008-09-22 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.
Book Synopsis Efficient Learning Machines by : Mariette Awad
Download or read book Efficient Learning Machines written by Mariette Awad and published by Apress. This book was released on 2015-04-27 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning techniques provide cost-effective alternatives to traditional methods for extracting underlying relationships between information and data and for predicting future events by processing existing information to train models. Efficient Learning Machines explores the major topics of machine learning, including knowledge discovery, classifications, genetic algorithms, neural networking, kernel methods, and biologically-inspired techniques. Mariette Awad and Rahul Khanna’s synthetic approach weaves together the theoretical exposition, design principles, and practical applications of efficient machine learning. Their experiential emphasis, expressed in their close analysis of sample algorithms throughout the book, aims to equip engineers, students of engineering, and system designers to design and create new and more efficient machine learning systems. Readers of Efficient Learning Machines will learn how to recognize and analyze the problems that machine learning technology can solve for them, how to implement and deploy standard solutions to sample problems, and how to design new systems and solutions. Advances in computing performance, storage, memory, unstructured information retrieval, and cloud computing have coevolved with a new generation of machine learning paradigms and big data analytics, which the authors present in the conceptual context of their traditional precursors. Awad and Khanna explore current developments in the deep learning techniques of deep neural networks, hierarchical temporal memory, and cortical algorithms. Nature suggests sophisticated learning techniques that deploy simple rules to generate highly intelligent and organized behaviors with adaptive, evolutionary, and distributed properties. The authors examine the most popular biologically-inspired algorithms, together with a sample application to distributed datacenter management. They also discuss machine learning techniques for addressing problems of multi-objective optimization in which solutions in real-world systems are constrained and evaluated based on how well they perform with respect to multiple objectives in aggregate. Two chapters on support vector machines and their extensions focus on recent improvements to the classification and regression techniques at the core of machine learning.
Book Synopsis Solvation Thermodynamics by : Arieh Y. Ben-Naim
Download or read book Solvation Thermodynamics written by Arieh Y. Ben-Naim and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther modynamics alone. However, solvation is inherently a molecular pro cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 based on analysis at the molecular level. During the past ten years, I have introduced several new quantities which, in my opinion, should replace the conventional measures of solvation thermodynamics. To avoid confusing the new quantities with those referred to conventionally in the literature as standard quantities of solvation, I called these "nonconventional," "generalized," and "local" standard quantities and attempted to point out the advantages of these new quantities over the conventional ones.
Book Synopsis Theory of Defects in Semiconductors by : David A. Drabold
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.
Book Synopsis Critical Phenomena in Natural Sciences by : Didier Sornette
Download or read book Critical Phenomena in Natural Sciences written by Didier Sornette and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: A modern up-to-date introduction for readers outside statistical physics. It puts emphasis on a clear understanding of concepts and methods and provides the tools that can be of immediate use in applications.
Book Synopsis Spectral Methods in Chemistry and Physics by : Bernard Shizgal
Download or read book Spectral Methods in Chemistry and Physics written by Bernard Shizgal and published by Springer. This book was released on 2015-01-07 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficients in gases and other gas dynamical problems based on spectral and pseudospectral solutions of the Boltzmann equation. Radiative transfer in astrophysics and atmospheric science, and applications to space physics are discussed. The relaxation of initial non-equilibrium distributions to equilibrium for several different systems is studied with the Boltzmann and Fokker-Planck equations. The eigenvalue spectra of the linear operators in the Boltzmann, Fokker-Planck and Schrödinger equations are studied with spectral and pseudospectral methods based on non-classical orthogonal polynomials. The numerical methods referred to as the Discrete Ordinate Method, Differential Quadrature, the Quadrature Discretization Method, the Discrete Variable Representation, the Lagrange Mesh Method, and others are discussed and compared. MATLAB codes are provided for most of the numerical results reported in the book - see Link under 'Additional Information' on the the right-hand column.
