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Multilevel adaptive methods play an increasingly important role in the solution of many scientific and engineering problems. Fast adaptive methods techniques are widely used by specialists to execute and analyze simulation and optimization problems. This monograph presents a unified approach to adaptive methods, addressing their mathematical theory, efficient algorithms, and flexible data structures. Rüde introduces a well-founded mathematical theory that leads to intelligent, adaptive algorithms, and suggests advanced software techniques. This new kind of multigrid theory supports the so-called "BPX" and "multilevel Schwarz" methods, and leads to the discovery of faster more robust algorithms. These techniques are deeply rooted in the theory of function spaces. Mathematical and Computational Techniques for Multilevel Adaptive Methods examines this development together with its implications for relevant algorithms for adaptive PDE methods. The author shows how abstract data types and object-oriented programming can be used for improved implementation.
"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.
Modern day high-performance computers are making available to 21st-century scientists solutions to rheological flow problems of ever-increasing complexity. Computational rheology is a fast-moving subject — problems which only 10 years ago were intractable, such as 3D transient flows of polymeric liquids, non-isothermal non-Newtonian flows or flows of highly elastic liquids through complex geometries, are now being tackled owing to the availability of parallel computers, adaptive methods and advances in constitutive modelling.Computational Rheology traces the development of numerical methods for non-Newtonian flows from the late 1960's to the present day. It begins with broad coverage of non-Newtonian fluids, including their mathematical modelling and analysis, before specific computational techniques are discussed. The application of these techniques to some important rheological flow problems of academic and industrial interest is then treated in a detailed and up-to-date exposition. Finally, the reader is kept abreast of topics at the cutting edge of research in computational applied mathematics, such as adaptivity and stochastic partial differential equations.All the topics in this book are dealt with from an elementary level and this makes the text suitable for advanced undergraduate and graduate students, as well as experienced researchers from both the academic and industrial communities.
Rapid advances in 3-D scientific visualization have made a major impact on the display of behavior. The use of 3-D has become a key component of both academic research and commercial product development in the field of engineering design. Computer Visualization presents a unified collection of computer graphics techniques for the scientific visualization of behavior. The book combines a basic overview of the fundamentals of computer graphics with a practitioner-oriented review of the latest 3-D graphics display and visualization techniques. Each chapter is written by well-known experts in the field. The first section reviews how computer graphics visualization techniques have evolved to work with digital numerical analysis methods. The fundamentals of computer graphics that apply to the visualization of analysis data are also introduced. The second section presents a detailed discussion of the algorithms and techniques used to visualize behavior in 3-D, as static, interactive, or animated imagery. It discusses the mathematics of engineering data for visualization, as well as providing the current methods used for the display of scalar, vector, and tensor fields. It also examines the more general issues of visualizing a continuum volume field and animating the dimensions of time and motion in a state of behavior. The final section focuses on production visualization capabilities, including the practical computational aspects of visualization such as user interfaces, database architecture, and interaction with a model. The book concludes with an outline of successful practical applications of visualization, and future trends in scientific visualization.
This special issue of ZAMP is published to honor Paul M. Naghdi for his contributions to mechanics over the last forty years and more. It is offered in celebration of his long, productive career in continuum mechan ics; a career which has been marked by a passion for the intrinsic beauty of the subject, an uncompromising adherence to academic standards, and an untiring devotion to our profession. Originally, this issue was planned in celebration of Naghdi's 70th birthday, which occurred on 29 March 1994. But, as the papers were being prepared for the press, it became evident that the illness from which Professor Naghdi had been suffering during recent months was extremely serious. On 26 May 1994, a reception took place in the Department of Mechanical Engineering at Berkeley, at which Naghdi received The Berkeley Citation (which is given in lieu of an honorary degree) and where he was also presented with the Table of Contents of the present collection. Subse quently, he had the opportunity to read the papers in manuscript form. He was very touched that his colleagues had chosen to honor him with their fine contributions. The knowledge that he was held in such high esteem by his fellow scientists brought a special pleasure and consolation to him in his last weeks. On Saturday evening, 9 July 1994, Paul Naghdi succumbed to the lung cancer which he had so courageously endured.
This book contains the Proceedings of the seventh EPSRC Numerical Analysis Summer School, held in 1996. Five major topics in numerical analysis are treated by world experts at a level which should be suitable for first year graduate students and experienced researchers alike, assuming onlythe knowledge acquired from a first degree in mathematics or in a scientific discipline with significant mathematical content. Often researchers need to obtain an up-to-date picture of work in an area with a substantial literature, either to avoid reproducing work which is already done, or to applyto their own research in a different subject. This book avoids the need to trawl through the literature by presenting important recent results together with references to all the main papers. Each contributor reviews the state of the art in his area, presenting new and often hitherto unpublishedmaterial.
Unlike most finite element books that cover time dependent processes (IVPs) in a cursory manner, The Finite Element Method for Initial Value Problems: Mathematics and Computations focuses on the mathematical details as well as applications of space-time coupled and space-time decoupled finite element methods for IVPs. Space-time operator classification, space-time methods of approximation, and space-time calculus of variations are used to establish unconditional stability of space-time methods during the evolution. Space-time decoupled methods are also presented with the same rigor. Stability of space-time decoupled methods, time integration of ODEs including the finite element method in time are presented in detail with applications. Modal basis, normal mode synthesis techniques, error estimation, and a posteriori error computations for space-time coupled as well as space-time decoupled methods are presented. This book is aimed at a second-semester graduate level course in FEM.