Download or read book Molecular Dynamics and Diffusion written by David J. Fisher and published by Trans Tech Publications Ltd. This book was released on 2013-04-19 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular dynamics technique was developed in the 1960s as the outgrowth of attempts to model complicated systems by using either a) direct physical simulation or (following the great success of Monte Carlo methods) by b) using computer techniques. Computer simulation soon won out over clumsy physical simulation, and the ever-increasing speed and sophistication of computers has naturally made molecular dynamics simulation into a more and more successful technique. One of its most popular applications is the study of diffusion, and some experts now even claim that molecular dynamics simulation is, in the case of situations involving well-characterised elements and structures, more accurate than experimental measurement. The present double volume includes a compilation (over 600 items) of predicted solid-state diffusion data, for all of the major materials groups, dating back nearly four decades. The double volume also includes some original papers: “Determination of the Activation Energy for Formation and Migration of Thermal Vacancies in 401.0 Casting Aluminum Alloy” (N.A.Kamel et al.), “A Study of the Effect of Natural Aging on Some Plastically Deformed Aluminum Alloys using Two Different Techniques” (N.A.Kamel), “Estimation of Crystalline Size of Deformed 5251 Al Alloy using PALT and XRD Techniques” (M.A.Abdel-Rahman et al.), “Determination of the Activation Energy for Formation and Migration of Thermal Vacancies in 2024 Aircraft Material using Different Techniques and Methods” (N.A.Kamel), “Annealing Study of Al-Mg Wrought Alloys using Two Different Techniques and Estimation of the Activation Enthalpy of Migrating Defects” (G.Attallah et al.), “Studying the Formation of Fe2SiO4 and Pearlite Phases in Iron-Silica Sand Nanoparticle Composites” (T.Ahmad et al.), “Studies of Knight Shifts and Hyperfine Structure Constants of Tl2Ba2CuO6+y” (M.Q.Kuang et al.).

Download or read book Molecular Dynamics and Diffusion written by D. J. Fisher and published by . This book was released on 2013 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular dynamics technique was developed in the 1960s as the outgrowth of attempts to model complicated systems by using either a) direct physical simulation or (following the great success of Monte Carlo methods) by b) using computer techniques. Computer simulation soon won out over clumsy physical simulation, and the ever-increasing speed and sophistication of computers has naturally made molecular dynamics simulation into a more and more successful technique. One of its most popular applications is the study of diffusion, and some experts now even claim that molecular dynamics simulation is, in the case of situations involving well-characterised elements and structures, more accurate than experimental measurement. The present double volume includes a compilation (over 600 items) of predicted solid-state diffusion data, for all of the major materials groups, dating back nearly four decades. The double volume also includes some original papers: "Determination of the Activation Energy for Formation and Migration of Thermal Vacancies in 401.0 Casting Aluminum Alloy" (N.A.Kamel et al.), "A Study of the Effect of Natural Aging on Some Plastically Deformed Aluminum Alloys using Two Different Techniques" (N.A.Kamel), "Estimation of Crystalline Size of Deformed 5251 Al Alloy using PALT and XRD Techniques" (M.A.Abdel-Rahman et al.), "Determination of the Activation Energy for Formation and Migration of Thermal Vacancies in 2024 Aircraft Material using Different Techniques and Methods" (N.A.Kamel), "Annealing Study of Al-Mg Wrought Alloys using Two Different Techniques and Estimation of the Activation Enthalpy of Migrating Defects" (G.Attallah et al.), "Studying the Formation of Fe2SiO4 and Pearlite Phases in Iron-Silica Sand Nanoparticle Composites" (T.Ahmad et al.), "Studies of Knight Shifts and Hyperfine Structure Constants of Tl2Ba2CuO6+y" (M.Q.Kuang et al.). Review from Book News Inc.: This is the final issue of the print periodical, which can no longer compete with electronic periodicals, and is having trouble finding classical diffusion studies, which have been declining with the increasing accuracy of computer prediction of diffusion parameters. Here are 672 abstracts of articles on the molecular dynamics technique as applied to diffusion studies. They are arranged in such sections as metals, carbons and carbines, semiconductors, nitrides, and general. Seven research papers are also included, reporting on such matters as the effect of natural aging on some plastically deformed aluminum alloys using two different techniques, determining the activation energy for the formation and migration of thermal vacancies in 2024 aircraft material using different techniques and methods, and an annealing study of aluminum-magnesium wrought alloys using two different techniques and estimating the activation enthalpy of migrating defects.

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.

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

Download or read book Diffusion in Crystalline Solids written by G E Murch and published by Academic Press. This book was released on 2012-12-02 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diffusion in Crystalline Solids addresses some of the most active areas of research on diffusion in crystalline solids. Topics covered include measurement of tracer diffusion coefficients in solids, diffusion in silicon and germanium, atom transport in oxides of the fluorite structure, tracer diffusion in concentrated alloys, diffusion in dislocations, grain boundary diffusion mechanisms in metals, and the use of the Monte Carlo Method to simulate diffusion kinetics. This book is made up of eight chapters and begins with an introduction to the measurement of diffusion coefficients with radioisotopes. The following three chapters consider diffusion in materials of substantial technological importance such as silicon and germanium. Atomic transport in oxides of the fluorite structure is described, and diffusion in concentrated alloys, including intermetallic compounds, is analyzed. The next two chapters delve into diffusion along short-circuiting paths, focusing on the effect of diffusion down dislocations on the form of the tracer concentration profile. The book also discusses the mechanisms of diffusion in grain boundaries in metals by invoking considerable work done on grain-boundary structure. The last two chapters are concerned with computer simulation, paying particular attention to machine calculations and the Monte Carlo method. The book concludes by exploring the fundamental atomic migration process and presenting some state-of-the-art calculations for defect energies and the topology of the saddle surface. Students and researchers of material science will find this book extremely useful.

Download or read book Synthetic Membranes and Membrane Separation Processes written by Takeshi Matsuura and published by CRC Press. This book was released on 2020-09-10 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthetic Membranes and Membrane Separation Processes addresses both fundamental and practical aspects of the subject. Topics discussed in the book cover major industrial membrane separation processes, including reverse osmosis, ultrafiltration, microfiltration, membrane gas and vapor separation, and pervaporation. Membrane materials, membrane preparation, membrane structure, membrane transport, membrane module and separation design, and applications are discussed for each separation process. Many problem-solving examples are included to help readers understand the fundamental concepts of the theory behind the processes. The book will benefit practitioners and students in chemical engineering, environmental engineering, and materials science.

Download or read book Emerging Developments and Applications of Low Temperature Plasma written by Shahzad, Aamir and published by IGI Global. This book was released on 2021-12-17 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Low temperature plasma in medicine is a new field that rose from the research in the application of cold plasmas in bioengineering. Plasma medicine is an innovative and promising multidisciplinary novel field of research covering plasma physics, life sciences, and clinical medicine to apply physical plasma for therapeutic applications. Emerging Developments and Applications of Low Temperature Plasma explores all areas of experimental, computational, and theoretical study of low temperature and atmospheric plasmas and provides a collection of exciting new research on the fundamental aspects of low temperature and pressure plasmas and their applications. Covering topics such as carbon nanotubes, foodborne pathogens, and plasma formation, this book is an essential resource for research groups, plasma-based industries, plasma aerodynamics industries, metal and cutlery industries, medical institutions, researchers, and academicians.

Download or read book Adsorption and Diffusion written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2008-06-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.

Download or read book Molecular Dynamics Simulations of Small Molecule Diffusion in Hydrogels written by Arvind Sivasubramanian and published by . This book was released on 2003 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Ab Initio Molecular Dynamics Simulation of Diffusion in Silicon written by Beat Sahli and published by . This book was released on 2007 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: Transition path sampling and diffusive barrier crossing to simulaterare events Dissipative particle dynamic as a course-grained simulation technique Novel schemes to compute the long-ranged forces Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations Multiple-time step algorithms as an alternative for constraints Defects in solids The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Download or read book Diffusion in Nanoporous Materials 2 Volumes written by Jörg Kärger and published by John Wiley & Sons. This book was released on 2012-10-29 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.

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.

Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

Download or read book Diffusion in Condensed Matter written by Paul Heitjans and published by Springer Science & Business Media. This book was released on 2006-01-16 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive, handbook-style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. It is understood and presented as a phenomenon of crucial relevance for a large variety of processes and materials. In this book, all aspects of the theoretical fundamentals, experimental techniques, highlights of current developments and results for solids, liquids and interfaces are presented.

Download or read book Multicomponent Diffusion written by E. L. Cussler and published by Elsevier. This book was released on 2013-10-22 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multicomponent Diffusion discusses the multicomponent diffusion of the three phases of matter. The book is comprised of nine chapters that cover studies of multicomponent diffusion and mass transfer with an emphasis on the chemical characteristics responsible for multicomponent diffusion. Chapter 1 provides an introductory discourse about multicomponent diffusion. Chapter 2 discusses binary diffusion, while Chapter 3 covers multicomponent flux equation. The measurement of ternary diffusion and the estimation of ternary diffusion coefficients are also explained in the book. A chapter then covers the interacting systems, and the subsequent chapter talks about membranes without mobile carriers. The text also discusses carrier-containing membranes and the multicomponent mass transfer. The book will be of great use to researchers and professionals whose work requires a good understanding of multicomponent diffusion.

Download or read book Molecular Dynamics written by Lichang Wang and published by BoD – Books on Demand. This book was released on 2012-04-11 with total page 448 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 second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines. Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines