Numerical Simulation in Molecular Dynamics

Numerical Simulation in Molecular Dynamics
Author: Michael Griebel
Publisher: Springer Science & Business Media
Total Pages: 472
Release: 2007-08-16
Genre: Science
ISBN: 3540680950


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This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.

Numerical Simulations in Engineering and Science

Numerical Simulations in Engineering and Science
Author: Srinivasa Rao
Publisher: BoD – Books on Demand
Total Pages: 406
Release: 2018-07-11
Genre: Computers
ISBN: 1789234506


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Computational science is one of the rapidly growing multidisciplinary fields. The high-performance computing capabilities are utilized to solve and understand complex problems. This book offers a detailed exposition of the numerical methods that are used in engineering and science. The chapters are arranged in such a way that the readers will be able to select the topics appropriate to their interest and need. The text features a broad array of applications of computational methods to science and technology. This book would be an interesting supplement for the practicing engineers, scientists, and graduate students.

Computational and Numerical Simulations

Computational and Numerical Simulations
Author: Jan Awrejcewicz
Publisher: BoD – Books on Demand
Total Pages: 492
Release: 2014-02-12
Genre: Computers
ISBN: 9535112201


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Computational and Numerical Simulations is an edited book including 20 chapters. Book handles the recent research devoted to numerical simulations of physical and engineering systems. It presents both new theories and their applications, showing bridge between theoretical investigations and possibility to apply them by engineers of different branches of science. Numerical simulations play a key role in both theoretical and application oriented research.

Programming for Computations - Python

Programming for Computations - Python
Author: Svein Linge
Publisher: Springer
Total Pages: 244
Release: 2016-07-25
Genre: Computers
ISBN: 3319324284


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This book presents computer programming as a key method for solving mathematical problems. There are two versions of the book, one for MATLAB and one for Python. The book was inspired by the Springer book TCSE 6: A Primer on Scientific Programming with Python (by Langtangen), but the style is more accessible and concise, in keeping with the needs of engineering students. The book outlines the shortest possible path from no previous experience with programming to a set of skills that allows the students to write simple programs for solving common mathematical problems with numerical methods in engineering and science courses. The emphasis is on generic algorithms, clean design of programs, use of functions, and automatic tests for verification.

Numerical Simulations of Coupled Problems in Engineering

Numerical Simulations of Coupled Problems in Engineering
Author: Sergio R. Idelsohn
Publisher: Springer
Total Pages: 417
Release: 2014-05-09
Genre: Technology & Engineering
ISBN: 3319061364


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This book presents and discusses mathematical models, numerical methods and computational techniques used for solving coupled problems in science and engineering. It takes a step forward in the formulation and solution of real-life problems with a multidisciplinary vision, accounting for all of the complex couplings involved in the physical description. Simulation of multifaceted physics problems is a common task in applied research and industry. Often a suitable solver is built by connecting together several single-aspect solvers into a network. In this book, research in various fields was selected for consideration: adaptive methodology for multi-physics solvers, multi-physics phenomena and coupled-field solutions, leading to computationally intensive structural analysis. The strategies which are used to keep these problems computationally affordable are of special interest, and make this an essential book.

Numerical Techniques for Direct and Large-Eddy Simulations

Numerical Techniques for Direct and Large-Eddy Simulations
Author: Xi Jiang
Publisher: CRC Press
Total Pages: 284
Release: 2016-04-19
Genre: Mathematics
ISBN: 1420075799


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Compared to the traditional modeling of computational fluid dynamics, direct numerical simulation (DNS) and large-eddy simulation (LES) provide a very detailed solution of the flow field by offering enhanced capability in predicting the unsteady features of the flow field. In many cases, DNS can obtain results that are impossible using any other me

Numerical Simulations

Numerical Simulations
Author: Lutz Angermann
Publisher: BoD – Books on Demand
Total Pages: 454
Release: 2010-12-30
Genre: Computers
ISBN: 9533071532


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This book will interest researchers, scientists, engineers and graduate students in many disciplines, who make use of mathematical modeling and computer simulation. Although it represents only a small sample of the research activity on numerical simulations, the book will certainly serve as a valuable tool for researchers interested in getting involved in this multidisciplinary field. It will be useful to encourage further experimental and theoretical researches in the above mentioned areas of numerical simulation.

Modeling in Engineering Using Innovative Numerical Methods for Solids and Fluids

Modeling in Engineering Using Innovative Numerical Methods for Solids and Fluids
Author: Laura De Lorenzis
Publisher: Springer Nature
Total Pages: 225
Release: 2020-02-08
Genre: Science
ISBN: 3030375188


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The book examines innovative numerical methods for computational solid and fluid mechanics that can be used to model complex problems in engineering. It also presents innovative and promising simulation methods, including the fundamentals of these methods, as well as advanced topics and complex applications. Further, the book explores how numerical simulations can significantly reduce the number of time-consuming and expensive experiments required, and can support engineering decisions by providing data that would be very difficult, if not impossible, to obtain experimentally. It also includes chapters covering topics such as particle methods addressing particle-based materials and numerical methods that are based on discrete element formulations; fictitious domain methods; phase field models; computational fluid dynamics based on modern finite volume schemes; hybridizable discontinuous Galerkin methods; and non-intrusive coupling methods for structural models.

Numerical Simulation in Fluid Dynamics

Numerical Simulation in Fluid Dynamics
Author: Michael Griebel
Publisher: SIAM
Total Pages: 222
Release: 1998-01-01
Genre: Mathematics
ISBN: 0898713986


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In this translation of the German edition, the authors provide insight into the numerical simulation of fluid flow. Using a simple numerical method as an expository example, the individual steps of scientific computing are presented: the derivation of the mathematical model; the discretization of the model equations; the development of algorithms; parallelization; and visualization of the computed data. In addition to the treatment of the basic equations for modeling laminar, transient flow of viscous, incompressible fluids - the Navier-Stokes equations - the authors look at the simulation of free surface flows; energy and chemical transport; and turbulence. Readers are enabled to write their own flow simulation program from scratch. The variety of applications is shown in several simulation results, including 92 black-and-white and 18 color illustrations. After reading this book, readers should be able to understand more enhanced algorithms of computational fluid dynamics and apply their new knowledge to other scientific fields.