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Monte Carlo Diffusion Studies
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Book Synopsis Adsorption and Diffusion by : Hellmut G. Karge
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.
Book Synopsis Monte Carlo Diffusion Studies by : David Fisher
Download or read book Monte Carlo Diffusion Studies written by David Fisher and published by Trans Tech Publications Ltd. This book was released on 2015-02-13 with total page 221 pages. Available in PDF, EPUB and Kindle. Book excerpt: Special topic volume
Book Synopsis Understanding Molecular Simulation by : Daan Frenkel
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.
Book Synopsis Introduction to Computational Materials Science by : Richard LeSar
Download or read book Introduction to Computational Materials Science written by Richard LeSar and published by Cambridge University Press. This book was released on 2013-03-28 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modeling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.
Book Synopsis Handbook of Solid State Diffusion: Volume 1 by : Aloke Paul
Download or read book Handbook of Solid State Diffusion: Volume 1 written by Aloke Paul and published by Elsevier. This book was released on 2017-04-11 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: Handbook of Solid State Diffusion, Volume 1: Diffusion Fundamentals and Techniques covers the basic fundamentals, techniques, applications, and latest developments in the area of solid-state diffusion, offering a pedagogical understanding for students, academicians, and development engineers. Both experimental techniques and computational methods find equal importance in the first of this two-volume set. Volume 1 covers the fundamentals and techniques of solid-state diffusion, beginning with a comprehensive discussion of defects, then different analyzing methods, and finally concluding with an exploration of the different types of modeling techniques. - Presents a handbook with a short mathematical background and detailed examples of concrete applications of the sophisticated methods of analysis - Enables readers to learn the basic concepts of experimental approaches and the computational methods involved in solid-state diffusion - Covers bulk, thin film, and nanomaterials - Introduces the problems and analysis in important materials systems in various applications - Collates contributions from academic and industrial problems from leading scientists involved in developing key concepts across the globe
Book Synopsis Diffusion in Condensed Matter by : Paul Heitjans
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.
Book Synopsis Advances in Molecular Vibrations and Collision Dynamics by :
Download or read book Advances in Molecular Vibrations and Collision Dynamics written by and published by Elsevier. This book was released on 1998-09-25 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Book Synopsis Land Utilization : Theory And Practice by : R.B. Mandal
Download or read book Land Utilization : Theory And Practice written by R.B. Mandal and published by Concept Publishing Company. This book was released on 1990 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Monte Carlo Methods In Ab Initio Quantum Chemistry by : Brian L Hammond
Download or read book Monte Carlo Methods In Ab Initio Quantum Chemistry written by Brian L Hammond and published by World Scientific. This book was released on 1994-03-29 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.Some distinguishing features of this book are:
Download or read book Regional Planning written by R.P. Misra and published by Concept Publishing Company. This book was released on 1992 with total page 904 pages. Available in PDF, EPUB and Kindle. Book excerpt: Papers presented at the All-India Seminar on Regional Development and Planning, held at Mysore during 9-11 October 1967.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Analysis and Simulation of Semiconductor Devices by : S. Selberherr
Download or read book Analysis and Simulation of Semiconductor Devices written by S. Selberherr and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: The invention of semiconductor devices is a fairly recent one, considering classical time scales in human life. The bipolar transistor was announced in 1947, and the MOS transistor, in a practically usable manner, was demonstrated in 1960. From these beginnings the semiconductor device field has grown rapidly. The first integrated circuits, which contained just a few devices, became commercially available in the early 1960s. Immediately thereafter an evolution has taken place so that today, less than 25 years later, the manufacture of integrated circuits with over 400.000 devices per single chip is possible. Coincident with the growth in semiconductor device development, the literature concerning semiconductor device and technology issues has literally exploded. In the last decade about 50.000 papers have been published on these subjects. The advent of so called Very-Large-Scale-Integration (VLSI) has certainly revealed the need for a better understanding of basic device behavior. The miniaturization of the single transistor, which is the major prerequisite for VLSI, nearly led to a breakdown of the classical models of semiconductor devices.
Book Synopsis Environmental Protection Research Catalog: Indexes by : Smithsonian Science Information Exchange
Download or read book Environmental Protection Research Catalog: Indexes written by Smithsonian Science Information Exchange and published by . This book was released on 1972 with total page 1478 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book TID. written by and published by . This book was released on 1964 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Material Research in Atomic Scale by Mössbauer Spectroscopy by : Miroslav Mashlan
Download or read book Material Research in Atomic Scale by Mössbauer Spectroscopy written by Miroslav Mashlan and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mössbauer spectroscopy is uniquely able to probe hyperfine interactions by looking at the short-range order of resonant atoms. Materials containing an appropriate isotope as one of their constituent atoms, such as iron or tin, are readily investigated. But even materials that do not contain Mössbauer-active atoms can be investigated if the probe atoms are incorporated in minor quantities (ca. 0.1 at.-%) to act as molecular-level indicators. These 35 papers collected here represent a state-of-the-art description of Mössbauer spectroscopy techniques applied to advanced materials. The topics covered comprise investigations of nanomaterials, nanoparticles, and quasicrystals, artificially structured materials as well as applications of Mössbauer spectroscopy in chemistry, mineralogy and metallurgy. The main aim of is the dissemination of information on research and recent developments of the method in materials science as obtained in leading Mössbauer laboratories.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1967 with total page 984 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Introduction to Molecular-Microsimulation for Colloidal Dispersions by : A. Satoh
Download or read book Introduction to Molecular-Microsimulation for Colloidal Dispersions written by A. Satoh and published by Elsevier. This book was released on 2003-06-20 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Molecular-Microsimulation for Colloidal Dispersions provides an introduction to molecular-microsimulation methods for colloidal dispersions and is suitable for both self-study and reference. It provides the reader with a systematic understanding of the theoretical background to simulation methods, together with a wide range of practical skills for developing computational programs. Exercises are included at the end of each chapter to further assist the understanding of the subjects addressed. - Provides the reader with the theoretical background to molecular-microsimulation methods - Suitable for both self-study and reference - Aids the reader in developing programs to meet their own requirements
