Numerical Simulation in Molecular Dynamics PDF Download
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Author: Michael Griebel
Publisher: Springer Science & Business Media
ISBN: 3540680950
Category : Science
Languages : en
Pages : 472
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Book Description
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.
Author: Michael Griebel
Publisher: Springer Science & Business Media
ISBN: 3540680950
Category : Science
Languages : en
Pages : 472
Get Book Here
Book Description
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.
Author: Svein Linge
Publisher: Springer
ISBN: 3319324284
Category : Computers
Languages : en
Pages : 244
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Book Description
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.
Author: Xi Jiang
Publisher: CRC Press
ISBN: 1420075799
Category : Mathematics
Languages : en
Pages : 284
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Book Description
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
Author: Sergio R. Idelsohn
Publisher: Springer
ISBN: 3319061364
Category : Technology & Engineering
Languages : en
Pages : 417
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Book Description
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.
Author: Shaharuddin Salleh
Publisher: John Wiley & Sons
ISBN: 0471727245
Category : Technology & Engineering
Languages : en
Pages : 375
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Book Description
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/
Author: Lutz Angermann
Publisher: BoD – Books on Demand
ISBN: 9533071532
Category : Computers
Languages : en
Pages : 454
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Book Description
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.
Author: Michael Griebel
Publisher: SIAM
ISBN: 0898713986
Category : Mathematics
Languages : en
Pages : 222
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Book Description
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.
Author: Grétar Tryggvason
Publisher: Cambridge University Press
ISBN: 1139496700
Category : Computers
Languages : en
Pages : 337
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Book Description
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.
Author: Svein Linge
Publisher: Springer Nature
ISBN: 3030168778
Category : Computers
Languages : en
Pages : 350
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Book Description
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.
Author: Kumar, Ashwani
Publisher: IGI Global
ISBN: 1522537236
Category : Technology & Engineering
Languages : en
Pages : 257
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Book Description
Recent developments in information processing systems have driven the advancement of numerical simulations in engineering. New models and simulations enable better solutions for problem-solving and overall process improvement. Advanced Numerical Simulations in Mechanical Engineering is a pivotal reference source for the latest research findings on advanced modelling and simulation method adopted in mechanical and mechatronics engineering. Featuring extensive coverage on relevant areas such as fuzzy logic controllers, finite element analysis, and analytical models, this publication is an ideal resource for students, professional engineers, and researchers interested in the application of numerical simulations in mechanical engineering.
