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Download or read book Molecular Dynamics for 400 Million Particles with Short-range Interactions written by and published by . This book was released on 1995 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Tao Pang
Publisher : Cambridge University Press
ISBN 13 : 9780521485920
Total Pages : 398 pages
Book Rating : 4.4/5 (859 download)
Download or read book An Introduction to Computational Physics written by Tao Pang and published by Cambridge University Press. This book was released on 1997-09-28 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Textbook introducing basic methods of computational physics and giving overview of several advanced topics; for advanced undergraduate or beginning graduate students.
Author : Lichang Wang
Publisher : BoD – Books on Demand
ISBN 13 : 9535104438
Total Pages : 440 pages
Book Rating : 4.5/5 (351 download)
Download or read book Molecular Dynamics written by Lichang Wang and published by BoD – Books on Demand. This book was released on 2012-04-05 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures
Author : Mai Abed El-Hamid Ghaly
Publisher :
ISBN 13 :
Total Pages : 202 pages
Book Rating : 4.:/5 (358 download)
Download or read book Molecular Dynamics Studies of the Interactions of Low Energy Particles and Clusters with Surfaces written by Mai Abed El-Hamid Ghaly and published by . This book was released on 1995 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interaction of energetic particles and clusters with metal surfaces has been investigated using molecular dynamics computer simulations. For the particle interactions, a previously unknown mechanism for producing damage at surfaces, involving viscous flow of molten matter, was uncovered in atomistic simulations of self bombardment of Au, Cu and Pt. The findings were extended to higher energy irradiations using a macroscopic model derived in this work and shown to have enormous significance for studies of radiation damage and ion beam modifications of materials. The simulations also provide new insight into the question of "non-linear" or thermal spike sputtering and also suggest a mechanism for cluster emission. Cluster-solid interactions were investigated by simulating the impact of various metallic clusters on metal surfaces. The energies of the clusters were varied from less than one eV (soft landings) to over 3 keV; the sizes of the clusters were varied from 87 to 1000 atom, and the angles of incidence was varied from near glancing to near normal. Both solid and liquid clusters were examined. A broad range of behavior was observed in the simulations: splatting of the cluster over the surface, the formation of globs, and the penetration of the clusters deep into the substrate. General rules for predicting the dominant behavior are suggested. Embedded atom method potentials were employed in these simulations to represent the different metals and alloys. Although these potentials are well tested near equilibrium conditions, they are unreliable when the potential energies exceeded $approx$ 10 eV. Pseudopotential methods were employed to construct an accurate force model for atoms at the close separations, although a simple spline connecting EAM potentials at low energies with the Universal potential at high energies was employed in most of the simulations. All of the simulations were three dimensional and fully dynamical.
Author : Godehard Sutmann
Publisher : Forschungszentrum Jülich
ISBN 13 : 3893367144
Total Pages : 179 pages
Book Rating : 4.8/5 (933 download)
Download or read book Fast Methods for Long-range Interactions in Complex Systems written by Godehard Sutmann and published by Forschungszentrum Jülich. This book was released on 2011 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Perla Balbuena
Publisher : Elsevier
ISBN 13 : 0080536840
Total Pages : 971 pages
Book Rating : 4.0/5 (85 download)
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Author : Seymour E. Goodman
Publisher :
ISBN 13 :
Total Pages : 202 pages
Book Rating : 4.F/5 ( download)
Download or read book High-performance Computing, National Security Applications, and Export Control Policy at the Close of the 20th Century written by Seymour E. Goodman and published by . This book was released on 1998 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Mark S. Kemp
Publisher :
ISBN 13 : 9781536160543
Total Pages : 0 pages
Book Rating : 4.1/5 (65 download)
Download or read book An Introduction to Molecular Dynamics written by Mark S. Kemp and published by . This book was released on 2019 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "In the opening chapter of An Introduction to Molecular Dynamics, the method of statistical geometry, based on the construction of a Voronoi polyhedral, is applied to the pattern recognition of atomic environments and to the investigation of the local order in molecular dynamics-simulated materials. Next, the authors discuss the methodology of bimolecular simulations and their advancements, as well as their applications in the field of nanoparticle-biomolecular interactions. The theory of molecular dynamics simulation and some of the recent molecular dynamics methods such as steered molecular dynamics, umbrella sampling, and coarse-grained simulation are also discussed. The use of auxiliary programs in the cases of modified cyclodextrins is discussed. Additionally, results from molecular dynamics studies on cases of inclusion compounds of molecules of different sizes and shapes encapsulated in the same host cyclodextrin have been examined and compared. In closing, the authors discuss the methodology of molecular dynamics simulation with a non-constant force field. In the context of molecular simulations, the term "force field" refers to a set of equations and parameters for the calculation of forces acting on the particles of the system and its potential energy"--
Author : Roger Williams Hockney
Publisher :
ISBN 13 :
Total Pages : 6 pages
Book Rating : 4.:/5 (111 download)
Download or read book A 10,000 Particle Molecular Dynamics Model with Long Range Forces written by Roger Williams Hockney and published by . This book was released on 1973 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1190 pages
Book Rating : 4.3/5 (91 download)
Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1996 with total page 1190 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Michael Griebel
Publisher : Springer Science & Business Media
ISBN 13 : 3540680950
Total Pages : 472 pages
Book Rating : 4.5/5 (46 download)
Download or read book Numerical Simulation in Molecular Dynamics written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : D. C. Rapaport
Publisher : Cambridge University Press
ISBN 13 : 9780521825689
Total Pages : 568 pages
Book Rating : 4.8/5 (256 download)
Download or read book The Art of Molecular Dynamics Simulation written by D. C. Rapaport and published by Cambridge University Press. This book was released on 2004-04 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
Author : Tamar Schlick
Publisher : Springer Science & Business Media
ISBN 13 : 0387224645
Total Pages : 669 pages
Book Rating : 4.3/5 (872 download)
Download or read book Molecular Modeling and Simulation written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author : Jie Ji
Publisher :
ISBN 13 :
Total Pages : 346 pages
Book Rating : 4.:/5 (287 download)
Download or read book Molecular Dynamics Simulation of Systems with Variable Number of Particles written by Jie Ji and published by . This book was released on 1992 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Sanket Sarkar
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (772 download)
Download or read book Extending the Time Scale in Atomistic Simulations written by Sanket Sarkar and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: Materials properties depend on processes that take place on a variety of time scales. These range from atomic vibrations or dislocation-mediated slip processes, which have typical time scales of hundreds of femtoseconds (fs) to hundreds of picoseconds (ps), to diffusion, which may take place on the order of seconds or longer. This disparity in time scales leads to difficulties when trying to model slower processes where individual atomic motions may be important, such as diffusion controlled boundary migration and dislocation climb. A straightforward molecular dynamics (MD) approach, with a typical time step of 1 fs, would require an enormous computation time to adequately capture these processes. This work presents a novel method, called Diffusive Molecular Dynamics (DMD), which can capture the diffusion time scale while retaining the atomic spatial resolution by coarse-graining over atomic vibrations and evolving a site-probability representation of atomic density clouds. DMD solves master equation on a moving atomic grid. It combines long-range elastic effects and short- range atomic interactions simultaneously with gradient thermodynamics.
Author : Michael Bonitz
Publisher : Springer Science & Business Media
ISBN 13 : 3319054376
Total Pages : 495 pages
Book Rating : 4.3/5 (19 download)
Download or read book Complex Plasmas written by Michael Bonitz and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 495 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides the reader with an introduction to the physics of complex plasmas, a discussion of the specific scientific and technical challenges they present and an overview of their potential technological applications. Complex plasmas differ from conventional high-temperature plasmas in several ways: they may contain additional species, including nano meter- to micrometer-sized particles, negative ions, molecules and radicals and they may exhibit strong correlations or quantum effects. This book introduces the classical and quantum mechanical approaches used to describe and simulate complex plasmas. It also covers some key experimental techniques used in the analysis of these plasmas, including calorimetric probe methods, IR absorption techniques and X-ray absorption spectroscopy. The final part of the book reviews the emerging applications of microcavity and microchannel plasmas, the synthesis and assembly of nanomaterials through plasma electrochemistry, the large-scale generation of ozone using microplasmas and novel applications of atmospheric-pressure non-thermal plasmas in dentistry. Going beyond the scope of traditional plasma texts, the presentation is very well suited for senior undergraduate, graduate students and postdoctoral researchers specializing in plasma physics.
Author : M. P. Allen
Publisher :
ISBN 13 :
Total Pages : 54 pages
Book Rating : 4.:/5 (354 download)
Download or read book Molecular Dynamics Simulation Using Hard Particles written by M. P. Allen and published by . This book was released on 1989 with total page 54 pages. Available in PDF, EPUB and Kindle. Book excerpt:
