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: Robert Castilla
Publisher: Mdpi AG
ISBN: 9783036529318
Category : Technology & Engineering
Languages : en
Pages : 158
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Book Description
This book collects the accepted contributions to the Special Issue "The Numerical Simulation of Fluid Flow" in the Energies journal of MDPI. It is focused more on practical applications of numerical codes than in its development. It covers a wide variety of topics, from aeroacoustics to aerodynamics and flow-particles interaction.
Author: Gernot Beer
Publisher: CRC Press
ISBN: 1315766310
Category : Mathematics
Languages : en
Pages : 342
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Book Description
This entertaining introduction to advanced numerical modeling aims to lead the reader on a journey towards theholy grail of numerical simulation, i.e. one without the requirement of mesh generation, that takes data directly from CAD programs. This hands-on book emphasizes implementation and examples of programming in a higher level language are given. Written for users of simulation software, so they can understand the benefits of this new technology and demand progress from a somewhat conservative industry. Written for software developers, so they can see that this is a technology with a big future and written for researchers, in the hope that it will attract more people to work in this field.
Author: Jason Daniel Schmidt
Publisher: Society of Photo Optical
ISBN: 9780819483263
Category : Science
Languages : en
Pages : 196
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Book Description
Numerical Simulation of Optical Wave Propagation is solely dedicated to wave-optics simulations. The book discusses digital Fourier transforms (FT), FT-based operations, multiple methods of wave-optics simulations, sampling requirements, and simulations in atmospheric turbulence.
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: Manfred Kaltenbacher
Publisher: Springer
ISBN: 3642401708
Category : Technology & Engineering
Languages : en
Pages : 600
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Book Description
Like the previous editions also the third edition of this book combines the detailed physical modeling of mechatronic systems and their precise numerical simulation using the Finite Element (FE) method. Thereby, the basic chapter concerning the Finite Element (FE) method is enhanced, provides now also a description of higher order finite elements (both for nodal and edge finite elements) and a detailed discussion of non-conforming mesh techniques. The author enhances and improves many discussions on principles and methods. In particular, more emphasis is put on the description of single fields by adding the flow field. Corresponding to these field, the book is augmented with the new chapter about coupled flow-structural mechanical systems. Thereby, the discussion of computational aeroacoustics is extended towards perturbation approaches, which allows a decomposition of flow and acoustic quantities within the flow region. Last but not least, applications are updated and restructured so that the book meets modern demands.
Author: Inmaculada Higueras
Publisher: Springer
ISBN: 9783319321455
Category : Mathematics
Languages : en
Pages : 0
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Book Description
This book presents lecture notes from the XVI ‘Jacques-Louis Lions’ Spanish-French School on Numerical Simulation in Physics and Engineering, held in Pamplona (Navarra, Spain) in September 2014. The subjects covered include: numerical analysis of isogeometric methods, convolution quadrature for wave simulations, mathematical methods in image processing and computer vision, modeling and optimization techniques in food processes, bio-processes and bio-systems, and GPU computing for numerical simulation. The book is highly recommended to graduate students in Engineering or Science who want to focus on numerical simulation, either as a research topic or in the field of industrial applications. It can also benefit senior researchers and technicians working in industry who are interested in the use of state-of-the-art numerical techniques in the fields addressed here. Moreover, the book can be used as a textbook for master courses in Mathematics, Physics, or Engineering.
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: Jaijeet Roychowdhury
Publisher: Now Publishers Inc
ISBN: 1601983042
Category : Computers
Languages : en
Pages : 222
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Book Description
Numerical simulation and modelling have been growing in importance and seeing steadily increasing practical application. The proliferation of applications and physical domains for which simulation technologies are now needed, compounded by generally increased complexity, has expanded the scope of numerical simulation and modelling within CAD and spurred new research directions. Numerical Simulation and Modelling of Electronic and Biochemical Systems provides an introduction to the fundamentals of numerical simulation, and to the basics of modelling electronic circuits and biochemical reactions. The emphasis is on capturing a minimal set of important concepts succinctly, but concretely enough that the reader will be left with an adequate foundation for further independent exploration. Starting from mathematical models of basic electronic elements, circuits are modelled as nonlinear differential-algebraic equation (DAE) systems. Two basic techniques - quiescent steady state and transient - for solving these differential equations systems are then developed. It is then shown how biochemical reactions can also be modelled deterministically as DAEs. Following this, frequency domain techniques for finding sinusoidal steady states of linear DAEs are developed, as are direct and adjoint techniques for computing parameter sensitivities and the effects of stationary random noise. For readers interested in a glimpse of topics beyond these basics, an introduction to nonlinear periodic steady state methods (harmonic balance and shooting) and the multitime partial differential equation formulation is provided. Also provided is an overview of model order reduction, an important topic of current research that has roots in numerical simulation algorithms. Finally, sample applications of nonlinear oscillator macromodels - in circuits (PLLs), biochemical reaction-diffusion systems and nanoelectronics - are presented.
Author: Miguel Cerrolaza
Publisher: Academic Press
ISBN: 0128117192
Category : Technology & Engineering
Languages : en
Pages : 462
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Book Description
Numerical Methods and Advanced Simulation in Biomechanics and Biological Processes covers new and exciting modeling methods to help bioengineers tackle problems for which the Finite Element Method is not appropriate. The book covers a wide range of important subjects in the field of numerical methods applied to biomechanics, including bone biomechanics, tissue and cell mechanics, 3D printing, computer assisted surgery and fluid dynamics. Modeling strategies, technology and approaches are continuously evolving as the knowledge of biological processes increases. Both theory and applications are covered, making this an ideal book for researchers, students and R&D professionals. - Provides non-conventional analysis methods for modeling - Covers the Discrete Element Method (DEM), Particle Methods (PM), MessLess and MeshFree Methods (MLMF), Agent-Based Methods (ABM), Lattice-Boltzmann Methods (LBM) and Boundary Integral Methods (BIM) - Includes contributions from several world renowned experts in their fields - Compares pros and cons of each method to help you decide which method is most applicable to solving specific problems
