Computational Science and Engineering – serie

This book offers a fundamental and practical introduction to the use of computational methods, particularly finite element methods, in the simulation of fluid flows in porous media. It is the first book to cover a wide variety of flows, including single-phase, two-phase, black oil, volatile, compositional, nonisothermal, and chemical compositional flows in both ordinary porous and fractured porous media. In addition, a range of computational methods are used, and benchmark problems of nine comparative solution projects organized by the Society of Petroleum Engineers are presented for the first time in book form.It reviews multiphase flow equations and computational methods to introduce basic terminologies and notation. A thorough discussion of practical aspects of the subject is presented in a consistent manner, and the level of treatment is rigorous without being unnecessarily abstract. Each chapter ends with bibliographic information and exercises.

Many engineering and scientific problems in design, control, and parameter estimation can be formulated as optimization problems that are governed by partial differential equations (PDEs). The complexities of the PDEs - and the requirement for rapid solution - pose significant difficulties. A particularly challenging class of PDE-constrained optimization problems is characterized by the need for real-time solution, i.e., in time scales that are sufficiently rapid to support simulation-based decision making.Real-Time PDE-Constrained Optimization, the first book devoted to real-time optimization for systems governed by PDEs, focuses on new formulations, methods, and algorithms needed to facilitate real-time, PDE-constrained optimization. In addition to presenting state-of-the-art algorithms and formulations, the text illustrates these algorithms with a diverse set of applications that includes problems in the areas of aerodynamics, biology, fluid dynamics, medicine, chemical processes, homeland security, and structural dynamics. Despite difficulties, there is a pressing need to capitalize on continuing advances in computing power to develop optimization methods that will replace simple rule-based decision making with optimized decisions based on complex PDE simulations.

The relatively recent increase in computational power available for mathematical modeling and simulation raises the possibility that modern numerical methods can play a significant role in the analysis of complex particulate flows. This introductory monograph focuses on basic models and physically based computational solution strategies for the direct and rapid simulation of flowing particulate media. Its emphasis is primarily on fluidized dry particulate flows in which there is no significant interstitial fluid, although fully coupled fluid-particle systems are discussed as well. An introduction to basic computational methods for ascertaining optical responses of particulate systems also is included.The successful analysis of a wide range of applications requires the simulation of flowing particulate media that simultaneouslyinvolves near-field interaction and contact between particles in a thermally sensitive environment. These systems naturally occur in astrophysics and geophysics; powder processing pharmaceutical industries; bio-, micro- and nanotechnologies; and applications arising from the study of spray processes involving aerosols, sputtering, and epitaxy.

Methods for the numerical simulation of dynamic mathematical models have been the focus of intensive research for well over 60 years, and the demand for better and more efficient methods has grown as the range of applications has increased. Mathematical models involving evolutionary partial differential equations (PDEs) as well as ordinary differential equations (ODEs) arise in many diverse applications such as fluid flow, image processing and computer vision, physics based animation, mechanical systems, relativity, earth sciences, and mathematical finance.This textbook develops, analyzes, and applies numerical methods for evolutionary, or time-dependent, differential problems. Both partial and ordinary differential equations are discussed from a unified viewpoint. The author emphasizes finite difference and finite volume methods, specifically their principled derivation, stability, accuracy, efficient implementation, and practical performance in various fields of science and engineering. Smooth and nonsmooth solutions for hyperbolic PDEs, parabolic type PDEs, and initial value ODEs are treated, and a practical introduction to geometric integration methods is included as well.The author bridges theory and practice by developing algorithms, concepts, and analysis from basic principles while discussing efficiency and performance issues and demonstrating methods through examples and case studies from a variety of application areas.

This book treats the numerical analysis of finite element computational fluid dynamics. Assuming minimal background, the text covers finite element methods; the derivation, behavior, analysis, and numerical analysis of Navier–Stokes equations; and turbulence and turbulence models used in simulations. Each chapter on theory is followed by a numerical analysis chapter that expands on the theory. The chapters contain numerous exercises.Introduction to the Numerical Analysis of Incompressible Viscous Flows provides the foundation for understanding the interconnection of the physics, mathematics, and numerics of the incompressible case, which is essential for progressing to the more complex ?ows not addressed in this book (e.g., viscoelasticity, plasmas, compressible ?ows, coating ?ows, ?ows of mixtures of ?uids, and bubbly ?ows). With mathematical rigor and physical clarity, the book progresses from the mathematical preliminaries of energy and stress to ?nite element computational ?uid dynamics in a format manageable in one semester.

A First Course on Numerical Methods is designed for students and researchers who seek practical knowledge of modern techniques in scientific computing. Avoiding encyclopaedic and heavily theoretical exposition, the book provides an in-depth treatment of fundamental issues and methods, the reasons behind the success and failure of numerical software, and fresh and easy-to-follow approaches and techniques. The authors focus on current methods, issues and software while providing a comprehensive theoretical foundation, enabling those who need to apply the techniques to successfully design solutions to nonstandard problems. The book also illustrates algorithms using the programming environment of MATLAB®, with the expectation that the reader will gradually become proficient in it while learning the material covered in the book. The book takes an algorithmic approach, focusing on techniques that have a high level of applicability to engineering, computer science and industrial mathematics.

In this much-expanded second edition, author Yair Shapira presents new applications and a substantial extension of the original object-oriented framework to make this popular and comprehensive book even easier to understand and use. It not only introduces the C and C++ programming languages, but also shows how to use them in the numerical solution of partial differential equations (PDEs).New material in this edition includes:New chapters on 3-D nonlinear applications and image processing applications.New sections on cryptography applications.More new sections, many including additional algorithms.

Inverse problems arise in practical applications whenever there is a need to interpret indirect measurements. This book explains how to identify ill-posed inverse problems arising in practice and gives a hands-on guide to designing computational solution methods for them, with related codes on an accompanying website. The guiding linear inversion examples are the problem of image deblurring, x-ray tomography, and backward parabolic problems, including heat transfer. A thorough treatment of electrical impedance tomography is used as the guiding nonlinear inversion example which combines the analytic-geometric research tradition and the regularization-based school of thought in a fruitful manner. This book is complete with exercises and project topics, making it ideal as a classroom textbook or self-study guide for graduate and advanced undergraduate students in mathematics, engineering or physics who wish to learn about computational inversion. It also acts as a useful guide for researchers who develop inversion techniques in high-tech industry.

This book provides a comprehensive introduction to the mathematical methodology of parameter continuation, the computational analysis of families of solutions to nonlinear mathematical equations. It develops a systematic formalism for constructing abstract representations of continuation problems and for implementing these in an existing computational platform.Recipes for Continuation:Lends equal importance to theoretical rigor, algorithm development, and software engineering. Demonstrates the use of fully developed toolbox templates for single- and multisegment boundary-value problems to the analysis of periodic orbits in smooth and hybrid dynamical systems, quasi-periodic invariant tori, and homoclinic and heteroclinic connecting orbits between equilibria and/or periodic orbits. Shows the use of vectorization for optimal computational efficiency, an object-oriented paradigm for the modular construction of continuation problems, and adaptive discretization algorithms for guaranteed bounds on estimated errors. Contains extensive and fully worked examples that illustrate the application of the MATLAB-based Computational Continuation Core (COCO) to problems from recent research literature that are relevant to dynamical system models from mechanics, electronics, biology, economics, and neuroscience.

Like a pianist who practices from a book of études, readers of Programming Projects in C for Students of Engineering, Science, and Mathematics will learn by doing.Written as a tutorial on how to think about, organize, and implement programs in scientific computing, this book achieves its goal through an eclectic and wide-ranging collection of projects. Each project presents a problem and an algorithm for solving it, and the reader is guided through implementing the algorithm in C and compiling and testing the results. It is not necessary to carry out the projects in sequential order. The projects contain suggested algorithms and partially completed programs for implementing them to enable the reader to exercise and develop skills in scientific computing; require only a working knowledge of undergraduate multivariable calculus, differential equations, and linear algebra; and are written in platform-independent standard C. The Unix command-line is used to illustrate compilation and execution.

This informal introduction to computational fluid dynamics and practical guide to numerical simulation of transport phenomena covers the derivation of the governing equations, construction of finite element approximations, and qualitative properties of numerical solutions, among other topics. To make the book accessible to readers with diverse interests and backgrounds, the authors begin at a basic level and advance to numerical tools for increasingly difficult flow problems, emphasizing practical implementation rather than mathematical theory.Finite Element Methods for Computational Fluid Dynamics: Explains the basics of the finite element method (FEM) in the context of simple model problems, illustrated by numerical examples. Comprehensively reviews stabilization techniques for convection-dominated transport problems, introducing the reader to streamline diffusion methods, Petrov–Galerkin approximations, Taylor–Galerkin schemes, flux-corrected transport algorithms, and other nonlinear high-resolution schemes.Covers Petrov–Galerkin stabilization, classical projection schemes, Schur complement solvers, and the implementation of the k-epsilon turbulence model in its presentation of the FEM for incompressible flow problems.Ddescribes the open-source finite element library ELMER, which is recommended as a software development kit for advanced applications in an online component.

This book provides an introduction to representative nonrelativistic quantum control problems and their theoretical analysis and solution via modern computational techniques. The quantum theory framework is based on the Schrödinger picture, and the optimization theory, which focuses on functional spaces, is based on the Lagrange formalism. The computational techniques represent recent developments that have resulted from combining modern numerical techniques for quantum evolutionary equations with sophisticated optimization schemes. Both finite and infinite-dimensional models are discussed, including the three-level Lambda system arising in quantum optics, multispin systems in NMR, a charged particle in a well potential, Bose–Einstein condensates, multiparticle spin systems, and multiparticle models in the time-dependent density functional framework.This self-contained book covers the formulation, analysis, and numerical solution of quantum control problems and bridges scientific computing, optimal control and exact controllability, optimization with differential models, and the sciences and engineering that require quantum control methods.

Conservation laws are the mathematical expression of the principles of conservation and provide effective and accurate predictive models of our physical world. Although intense research activity during the last decades has led to substantial advances in the development of powerful computational methods for conservation laws, their solution remains a challenge and many questions are left open; thus it is an active and fruitful area of research. Numerical Methods for Conservation Laws: From Analysis to Algorithms:offers the first comprehensive introduction to modern computational methods and their analysis for hyperbolic conservation laws, building on intense research activities for more than four decades of development;discusses classic results on monotone and finite difference/finite volume schemes, but emphasizes the successful development of high-order accurate methods for hyperbolic conservation laws;addresses modern concepts of TVD and entropy stability, strongly stable Runge-Kutta schemes, and limiter-based methods before discussing essentially nonoscillatory schemes, discontinuous Galerkin methods, and spectral methods;explores algorithmic aspects of these methods, emphasizing one- and two-dimensional problems and the development and analysis of an extensive range of methods; includes MATLAB software with which all main methods and computational results in the book can be reproduced; anddemonstrates the performance of many methods on a set of benchmark problems to allow direct comparisons.Code and other supplemental material are available online at www.siam.org/books/cs18.

This book is an introduction to both computational inverse problems and uncertainty quantification (UQ) for inverse problems. The book also presents more advanced material on Bayesian methods and UQ, including Markov chain Monte Carlo sampling methods for UQ in inverse problems. Each chapter contains MATLAB® code that implements the algorithms and generates the figures, as well as a large number of exercises accessible to both graduate students and researchers. Computational Uncertainty Quantification for Inverse Problems is intended for graduate students, researchers, and applied scientists. It is appropriate for courses on computational inverse problems, Bayesian methods for inverse problems, and UQ methods for inverse problems.

In many dynamical systems, time delays arise because of the time it takes to measure system states, perceive and evaluate events, formulate decisions, and act on those decisions. The presence of delays may lead to undesirable outcomes; without an engineered design, the dynamics may underperform, oscillate, and even become unstable. How to study the stability of dynamical systems influenced by time delays is a fundamental question. Related issues include how much time delay the system can withstand without becoming unstable and how to change system parameters to render improved dynamic characteristics, utilize or tune the delay itself to improve dynamical behavior, and assess the stability and speed of response of the dynamics. Mastering Frequency Domain Techniques for the Stability Analysis of LTI Time Delay Systems addresses these questions for linear time-invariant (LTI) systems with an eigenvalue-based approach built upon frequency domain techniques. Readers will find key results from the literature, including all subtopics for those interested in deeper exploration. The book presents step-by-step demonstrations of all implementations—including those that require special care in mathematics and numerical implementation—from the simpler, more intuitive ones in the introductory chapters to the more complex ones found in the later chapters. Maple and MATLAB code is available from the author’s website.This multipurpose book is intended for graduate students, instructors, and researchers working in control engineering, robotics, mechatronics, network control systems, human-in-the-loop systems, human-machine systems, remote control and tele-operation, transportation systems, energy systems, and process control, as well as for those working in applied mathematics, systems biology, and physics. It can be used as a primary text in courses on stability and control of time delay systems and as a supplementary text in courses in the above listed domains.

This book provides an overview of global sensitivity analysis methods and algorithms, including their theoretical basis and mathematical properties. The authors use a practical point of view and real case studies as well as numerous examples, and applications of the different approaches are illustrated throughout using R code to explain their usage and usefulness in practice. Basics and Trends in Sensitivity Analysis: Theory and Practice in R covers a lot of material, including theoretical aspects of Sobol’ indices as well as sampling-based formulas, spectral methods, and metamodel-based approaches for estimation purposes; screening techniques devoted to identifying influential and noninfluential inputs; variance-based measures when model inputs are statistically dependent (and several other approaches that go beyond variance-based sensitivity measures); and a case study in R related to a COVID-19 epidemic model where the full workflow of sensitivity analysis combining several techniques is presented.This book is intended for engineers, researchers, and undergraduate students who use complex numerical models and have an interest in sensitivity analysis techniques and is appropriate for anyone with a solid mathematical background in basic statistical and probability theories who develops and uses numerical models in all scientific and engineering domains.

Computational methods are an integral part of most scientific disciplines, and a rudimentary understanding of their potential and limitations is essential for any scientist or engineer. This textbook introduces computational science through a set of methods and algorithms with the aim of familiarizing the reader with the field's theoretical foundations and providing the practical skills to use and develop computational methods. Methods in Computational Scienceextends the classical syllabus with new material, including high performance computing, adjoint methods, machine learning, randomized algorithms, and quantum computing,is centered around a set of fundamental algorithms presented in the form of pseudocode,presents theoretical material alongside several examples and exercises, andprovides Python implementations of many key algorithms.Methods in Computational Science is a textbook for computer science and data science students at the advanced undergraduate and graduate level. It is appropriate for the following courses: Advanced Numerical Analysis, Special Topics on Numerical Analysis, Topics on Data Science, Topics on Numerical Optimization, and Topics on Approximation Theory. Because the text is self-contained, it can also be used to support continuous learning for practicing mathematicians, data scientists, computer scientists, and engineers in the field of computational science.

Over seventy years ago, Richard Bellman coined the term "the curse of dimensionality" to describe phenomena and computational challenges that arise in high dimensions. These challenges, in tandem with the ubiquity of high-dimensional functions in real-world applications, have led to a lengthy, focused research effort on high-dimensional approximation—that is, the development of methods for approximating functions of many variables accurately and efficiently from data. This book provides an in-depth treatment of one of the latest installments in this long and ongoing story: sparse polynomial approximation methods. These methods have emerged as useful tools for various high-dimensional approximation tasks arising in a range of applications in computational science and engineering. It begins with a comprehensive overview of best s-term polynomial approximation theory for holomorphic, high-dimensional functions, as well as a detailed survey of applications to parametric differential equations. It then describes methods for computing sparse polynomial approximations, focusing on least squares and compressed sensing techniques.Sparse Polynomial Approximation of High-Dimensional Functions presents the first comprehensive and unified treatment of polynomial approximation techniques that can mitigate the curse of dimensionality in high-dimensional approximation, including least squares and compressed sensing. It develops main concepts in a mathematically rigorous manner, with full proofs given wherever possible, and it contains many numerical examples, each accompanied by downloadable code. The authors provide an extensive bibliography of over 350 relevant references, with an additional annotated bibliography available on the book's companion website (www.sparse-hd-book.com).This text is aimed at graduate students, postdoctoral fellows, and researchers in mathematics, computer science, and engineering who are interested in high-dimensional polynomial approximation techniques.

Reduced order modeling is an important, growing field in computational science and engineering, and this is the first book to address the subject in relation to computational fluid dynamics. It focuses on complex parametrization of shapes for their optimization and includes recent developments in advanced topics such as turbulence, stability of flows, inverse problems, optimization, and flow control, as well as applications.This book will be of interest to researchers and graduate students in the field of reduced order modeling.

This book discusses the foundations of the mathematical theory of finite element methods. The focus is on the concept of discrete stability and the exact sequence conforming elements and covers both coercive and non-coercive problems. Following a historical path of development, the author covers the Ritz and the Galerkin methods to Mikhlin's theory, the Lax-Milgram theorem and Cea's lemma to the Babuska theorem and Brezzi's theory, and finishes with an introduction to the discontinuous Petrov-Galerkin method with optimal test functions.Intended for graduate students in computational science, engineering and mathematics programs, Mathematical Theory of Finite Elements is also appropriate for graduate mathematics and mathematically-oriented engineering students. The book is appropriate for courses in real analysis, functional analysis, energy (Sobolev) spaces, and Hilbert space methods for PDEs.

Measure theory and measure-theoretic probability are fascinating subjects. Proofs describing profound ways to reason lead to results that are frequently startling, beautiful, and useful. Measure theory and probability also play roles in the development of pure and applied mathematics, statistics, engineering, physics, and finance. Indeed, it is difficult to overstate their importance in the quantitative disciplines. This book traces an eclectic path through the fundamentals of the topic to make the material accessible to a broad range of students.A Ramble through Probability: How I Learned to Stop Worrying and Love Measure Theory brings together the key elements and applications in a unified presentation aimed at developing intuition; contains an extensive collection of examples that illustrate, explain, and apply the theories; and is supplemented with videos containing commentary and explanations of select proofs on an ancillary website.

Uncertainty quantification is an important step in establishing the predictive accuracy of simulation models employed in a broad range of disciplines. The book provides a comprehensive and unified treatment of the mathematical, statistical, and numerical topics required to perform uncertainty analysis for models arising in a wide range of applications.Expanded and reorganized, the second edition represents advances in the field over the last decade.It contains new chapters on random field representations, observation models, parameter identifiability and influence, active subspace techniques, and statistical surrogate models.The chapter on local sensitivity analysis has been rewritten to focus on the use of sensitivity equations, complex-step approximation, adjoint methods, and parameter subset selection techniques to ascertain parameter influence. It contains four times the number of exercises and many new examples, several of which include data. UQ Crimes throughout the text identify common misconceptions and guide readers entering the field.An ancillary website contains MATLAB codes.

This comprehensive book focuses on numerical methods for approximating solutions to partial differential equations. Intended as a broad survey of methods, the aim is to introduce readers to the central concepts of various families of discretizations and solution algorithm and lay the foundation needed to understand more advanced material, The book is divided into four parts: Part I covers basic background on PDEs and numerical methods,Part II introduces the three main classes of numerical methods for PDEs that are the book’s focus (finite-difference, finite-element, and finite-volume methods),Part III discusses linear solvers and finite-element and finite-volume methods at a more advanced level, andPart IV presents further high-level topics on discretizations and solvers.The authors include over one hundred well-established definitions, theorems, corollaries, and lemmas, and summaries of and reference to in-depth treatments of more advanced mathematics when needed.Audience This book is intended for advanced undergraduate/first-year graduate and advanced graduate students in applied math, as well as students in science and engineering disciplines. It is also appropriate for researchers in the field of scientific computing.Chapters are designed to be stand-alone, allowing distinct paths through the text, making it appropriate for both single-semester and multisemester courses. It is appropriate for courses on numerical methods for PDEs and numerical linear algebra.

This self-contained textbook provides the foundations of linear optimization, covering topics in both continuous and discrete linear optimization. It gradually builds the connection between theory, algorithms, and applications so that readers gain a theoretical and algorithmic foundation, familiarity with a variety of applications, and the ability to apply the theory and algorithms to actual problems.To deepen the reader’s understanding, the authors provide many applications from diverse areas of applied sciences, such as resource allocation, line fitting, graph coloring, the traveling salesman problem, game theory, and network flows. The book also includes more than 180 exercises, most of them with partial answers and about 70 with complete solutions, as well as a continuous illustration of the theory through examples and exercises.A First Course in Linear Optimization is intended to be read cover to cover and requires only a first course in linear algebra as a prerequisite. Its 13 chapters can be used as lecture notes for a first course in linear optimization.AudienceThis book is for a first undergraduate course in linear optimization, such as linear programming, linear optimization, and operations research. It is appropriate for students in operations research, mathematics, economics, and industrial engineering, as well as those studying computer science and engineering disciplines.