Numerical Simulation in Molecular Dynamics

Numerical Simulation in Molecular Dynamics

Author: Michael Griebel

Publisher: Springer Science & Business Media

Published: 2007-08-16

Total Pages: 472

ISBN-13: 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.


Programming for Computations - Python

Programming for Computations - Python

Author: Svein Linge

Publisher: Springer

Published: 2016-07-25

Total Pages: 244

ISBN-13: 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

Numerical Simulations

Author: Lutz Angermann

Publisher: BoD – Books on Demand

Published: 2010-12-30

Total Pages: 454

ISBN-13: 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.


Numerical Techniques for Direct and Large-Eddy Simulations

Numerical Techniques for Direct and Large-Eddy Simulations

Author: Xi Jiang

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 284

ISBN-13: 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 of Coupled Problems in Engineering

Numerical Simulations of Coupled Problems in Engineering

Author: Sergio R. Idelsohn

Publisher: Springer

Published: 2014-05-09

Total Pages: 417

ISBN-13: 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 Simulations and Case Studies Using Visual C++.Net

Numerical Simulations and Case Studies Using Visual C++.Net

Author: Shaharuddin Salleh

Publisher: John Wiley & Sons

Published: 2005-06-17

Total Pages: 375

ISBN-13: 0471727245

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Master the numerical simulation process required to design, test and support mobile and parallel computing systems. An accompanying ftp site contains all the Visual C++ based programs discussed in the text to help readers create their own programs. With its focus on problems and solutions, this is an excellent text for upper-level undergraduate and graduate students, and a must-have reference for researchers and professionals in the field of simulations. More information about Visual C++ based programs can be found at: ftp: //ftp.wiley.com/public/sci_tech_med/numerical_simulations/


Numerical Simulation in Fluid Dynamics

Numerical Simulation in Fluid Dynamics

Author: Michael Griebel

Publisher: SIAM

Published: 1998-01-01

Total Pages: 222

ISBN-13: 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.


Programming for Computations - Python

Programming for Computations - Python

Author: Svein Linge

Publisher: Springer Nature

Published: 2019-10-30

Total Pages: 350

ISBN-13: 3030168778

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This book is published open access under a CC BY 4.0 license. This book presents computer programming as a key method for solving mathematical problems. This second edition of the well-received book has been extensively revised: All code is now written in Python version 3.6 (no longer version 2.7). In addition, the two first chapters of the previous edition have been extended and split up into five new chapters, thus expanding the introduction to programming from 50 to 150 pages. Throughout the book, the explanations provided are now more detailed, previous examples have been modified, and new sections, examples and exercises have been added. Also, a number of small errors have been corrected. The book was inspired by the Springer book TCSE 6: A Primer on Scientific Programming with Python (by Langtangen), but the style employed 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 students to write simple programs for solving common mathematical problems with numerical methods in the context of engineering and science courses. The emphasis is on generic algorithms, clean program design, the use of functions, and automatic tests for verification.


Direct Numerical Simulations of Gas–Liquid Multiphase Flows

Direct Numerical Simulations of Gas–Liquid Multiphase Flows

Author: Grétar Tryggvason

Publisher: Cambridge University Press

Published: 2011-03-10

Total Pages: 337

ISBN-13: 1139496700

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Accurately predicting the behaviour of multiphase flows is a problem of immense industrial and scientific interest. Modern computers can now study the dynamics in great detail and these simulations yield unprecedented insight. This book provides a comprehensive introduction to direct numerical simulations of multiphase flows for researchers and graduate students. After a brief overview of the context and history the authors review the governing equations. A particular emphasis is placed on the 'one-fluid' formulation where a single set of equations is used to describe the entire flow field and interface terms are included as singularity distributions. Several applications are discussed, showing how direct numerical simulations have helped researchers advance both our understanding and our ability to make predictions. The final chapter gives an overview of recent studies of flows with relatively complex physics, such as mass transfer and chemical reactions, solidification and boiling, and includes extensive references to current work.


Fluid Dynamics

Fluid Dynamics

Author: Constantine Pozrikidis

Publisher: Springer Science & Business Media

Published: 2013-11-11

Total Pages: 686

ISBN-13: 1475733232

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Ready access to computers at an institutional and personal level has defined a new era in teaching and learning. The opportunity to extend the subject matter of traditional science and engineering disciplines into the realm of scientific computing has become not only desirable, but also necessary. Thanks to port ability and low overhead and operating costs, experimentation by numerical simulation has become a viable substitute, and occasionally the only alternative, to physical experiment at ion. The new environment has motivated the writing of texts and mono graphs with a modern perspective that incorporates numerical and com puter programming aspects as an integral part of the curriculum: meth ods, concepts, and ideas should be presented in a unified fashion that motivates and underlines the urgency of the new elements, but does not compromise the rigor of the classical approach and does not oversimplify. Interfacing fundamental concepts and practical methods of scientific computing can be done on different levels. In one approach, theory and implement at ion are kept complementary and presented in a sequential fashion. In a second approach, the coupling involves deriving compu tational methods and simulation algorithms, and translating equations into computer code instructions immediately following problem formu lations. The author of this book is a proponent of the second approach and advocates its adoption as a means of enhancing learning: interject ing methods of scientific computing into the traditional discourse offers a powerful venue for developing analytical skills and obtaining physical insight.