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Monte Carlo Diffusion Studies
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Book Synopsis Monte Carlo Diffusion Studies by : D.J. Fisher
Download or read book Monte Carlo Diffusion Studies written by D.J. Fisher and published by Trans Tech Publications Ltd. This book was released on 2015-02-13 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Monte Carlo method, largely the brainchild of Stanislaw Ulam and first implemented by John von Neumann, depends upon the use of digital computers and is therefore very much a product of post-WW2 technological developments; even though one could argue that the Buffons Needle estimate was an ancestor of the technique. The probabilistic nature of the method makes it a good choice for modeling those physical phenomena which involve similarly random motions at the atomic scale; a particularly good example being that of mass diffusion. The present volume comprises a compilation of selected Monte Carlo studies of diffusion in borides, carbides, diamond, graphene, graphite, hydrides, ice, metals, oxides, semiconductors, sulfides, zeolites and other materials. General aspects of diffusion are also covered. The 516 entries cover the period from 1966 to 2014.
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 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 664 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 Monte Carlo Studies of Diffusion-limited Trapping Reactions in Restricted Geometries by : Rodney Schoonover
Download or read book Monte Carlo Studies of Diffusion-limited Trapping Reactions in Restricted Geometries written by Rodney Schoonover and published by . This book was released on 1993 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 548 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 Publications Combined - Over 100 Studies In Nanotechnology With Medical, Military And Industrial Applications 2008-2017 by :
Download or read book Publications Combined - Over 100 Studies In Nanotechnology With Medical, Military And Industrial Applications 2008-2017 written by and published by Jeffrey Frank Jones. This book was released on with total page 7322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over 7,300 total pages ... Just a sample of the contents: Title : Multifunctional Nanotechnology Research Descriptive Note : Technical Report,01 Jan 2015,31 Jan 2016 Title : Preparation of Solvent-Dispersible Graphene and its Application to Nanocomposites Descriptive Note : Technical Report Title : Improvements To Micro Contact Performance And Reliability Descriptive Note : Technical Report Title : Delivery of Nanotethered Therapies to Brain Metastases of Primary Breast Cancer Using a Cellular Trojan Horse Descriptive Note : Technical Report,15 Sep 2013,14 Sep 2016 Title : Nanotechnology-Based Detection of Novel microRNAs for Early Diagnosis of Prostate Cancer Descriptive Note : Technical Report,15 Jul 2016,14 Jul 2017 Title : A Federal Vision for Future Computing: A Nanotechnology-Inspired Grand Challenge Descriptive Note : Technical Report Title : Quantifying Nanoparticle Release from Nanotechnology: Scientific Operating Procedure Series: SOP C 3 Descriptive Note : Technical Report Title : Synthesis, Characterization And Modeling Of Functionally Graded Multifunctional Hybrid Composites For Extreme Environments Descriptive Note : Technical Report,15 Sep 2009,14 Mar 2015 Title : Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory Descriptive Note : Technical Report Title : Nanotechnology for the Solid Waste Reduction of Military Food Packaging Descriptive Note : Technical Report,01 Apr 2008,01 Jan 2015 Title : Magneto-Electric Conversion of Optical Energy to Electricity Descriptive Note : Final performance rept. 1 Apr 2012-31 Mar 2015 Title : Surface Area Analysis Using the Brunauer-Emmett-Teller (BET) Method: Standard Operating Procedure Series: SOP-C Descriptive Note : Technical Report,30 Sep 2015,30 Sep 2016 Title : Stabilizing Protein Effects on the Pressure Sensitivity of Fluorescent Gold Nanoclusters Descriptive Note : Technical Report Title : Theory-Guided Innovation of Noncarbon Two-Dimensional Nanomaterials Descriptive Note : Technical Report,14 Feb 2012,14 Feb 2016 Title : Deterring Emergent Technologies Descriptive Note : Journal Article Title : The Human Domain and the Future of Army Warfare: Present as Prelude to 2050 Descriptive Note : Technical Report Title : Drone Swarms Descriptive Note : Technical Report,06 Jul 2016,25 May 2017 Title : OFFSETTING TOMORROW'S ADVERSARY IN A CONTESTED ENVIRONMENT: DEFENDING EXPEDITIONARY ADVANCE BASES IN 2025 AND BEYOND Descriptive Note : Technical Report Title : A Self Sustaining Solar-Bio-Nano Based Wastewater Treatment System for Forward Operating Bases Descriptive Note : Technical Report,01 Feb 2012,31 Aug 2017 Title : Radiation Hard and Self Healing Substrate Agnostic Nanocrystalline ZnO Thin Film Electronics Descriptive Note : Technical Report,26 Sep 2011,25 Sep 2015 Title : Modeling and Experiments with Carbon Nanotubes for Applications in High Performance Circuits Descriptive Note : Technical Report Title : Radiation Hard and Self Healing Substrate Agnostic Nanocrystalline ZnO Thin Film Electronics (Per5 E) Descriptive Note : Technical Report,01 Oct 2011,28 Jun 2017 Title : High Thermal Conductivity Carbon Nanomaterials for Improved Thermal Management in Armament Composites Descriptive Note : Technical Report Title : Emerging Science and Technology Trends: 2017-2047 Descriptive Note : Technical Report Title : Catalysts for Lightweight Solar Fuels Generation Descriptive Note : Technical Report,01 Feb 2013,31 Jan 2017 Title : Integrated Real-Time Control and Imaging System for Microbiorobotics and Nanobiostructures Descriptive Note : Technical Report,01 Aug 2013,31 Jul 2014
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 460 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 Issues in Biomedical Engineering Research and Application: 2012 Edition by :
Download or read book Issues in Biomedical Engineering Research and Application: 2012 Edition written by and published by ScholarlyEditions. This book was released on 2013-01-10 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Biomedical Engineering Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Biomedical Engineering. The editors have built Issues in Biomedical Engineering Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Biomedical Engineering in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Biomedical Engineering Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Book Synopsis Computer Simulation Studies in Condensed-Matter Physics V by : David P. Landau
Download or read book Computer Simulation Studies in Condensed-Matter Physics V written by David P. Landau and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 199 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the role of computer simulations began to increase in importance, we sensed a need for a "meeting place" for both experienced simulators and neophytes to discuss new techniques and results in an evironment which promotes extended discussion. As a consequence of these concerns, The Center for Simulational Physics established an annual workshop on Recent Developments in Computer Simulation Studies in Condensed-Matter Physics. This year's workshop was the fifth in this series and the interest which the scientific community has shown demonstrates quite clearly the useful purpose which the series has served. The workshop was held at the University of Georgia, February 17-21, 1992, and these proceedings form a record of the workshop which is published with the goal of timely dissemination of the papers to a wider audience. The proceedings are divided into four parts. The first part contains invited papers which deal with simulational studies of classical systems and includes an introduction to some new simulation techniques and special purpose computers as well. A separate section of the proceedings is devoted to invited papers on quantum systems including new results for strongly correlated electron and quan tum spin models. The third section is comprised of a single, invited description of a newly developed software shell designed for running parallel programs. The contributed presentations comprise the final chapter.
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 1472 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :William M. McEneaney Publisher :Springer Science & Business Media ISBN 13 :9780817640781 Total Pages :892 pages Book Rating :4.6/5 (47 download)
Book Synopsis Stochastic Analysis, Control, Optimization and Applications by : William M. McEneaney
Download or read book Stochastic Analysis, Control, Optimization and Applications written by William M. McEneaney and published by Springer Science & Business Media. This book was released on 1999 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt: In view of Professor Wendell Fleming's many fundamental contributions, his profound influence on the mathematical and systems theory communi ties, his service to the profession, and his dedication to mathematics, we have invited a number of leading experts in the fields of control, optimiza tion, and stochastic systems to contribute to this volume in his honor on the occasion of his 70th birthday. These papers focus on various aspects of stochastic analysis, control theory and optimization, and applications. They include authoritative expositions and surveys as well as research papers on recent and important issues. The papers are grouped according to the following four major themes: (1) large deviations, risk sensitive and Hoc control, (2) partial differential equations and viscosity solutions, (3) stochastic control, filtering and parameter esti mation, and (4) mathematical finance and other applications. We express our deep gratitude to all of the authors for their invaluable contributions, and to the referees for their careful and timely reviews. We thank Harold Kushner for having graciously agreed to undertake the task of writing the foreword. Particular thanks go to H. Thomas Banks for his help, advice and suggestions during the entire preparation process, as well as for the generous support of the Center for Research in Scientific Computation. The assistance from the Birkhauser professional staff is also greatly appreciated.
Book Synopsis Technical Progress Report, Pressurized Water Reactor (PWR) Project for the Period ... by :
Download or read book Technical Progress Report, Pressurized Water Reactor (PWR) Project for the Period ... written by and published by . This book was released on 1961-10 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1993 with total page 654 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis AMolecular Description of Biological Membrane Components by Computer Aided Conformational Analysis by : Robert Brasseur
Download or read book AMolecular Description of Biological Membrane Components by Computer Aided Conformational Analysis written by Robert Brasseur and published by CRC Press. This book was released on 2019-07-18 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 1990, the goal of these two volumes is to help fill the gap between theory and experiment in membrane science. Those involved with biochemistry, biophysics, pharmacology, and biology will find these volumes interesting and informative.
Book Synopsis NMR Studies of Translational Motion by : William S. Price
Download or read book NMR Studies of Translational Motion written by William S. Price and published by Cambridge University Press. This book was released on 2009-07-30 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Overview of NMR theory and applications in fluid systems, fully referenced for research use.
Book Synopsis Annual Reports on NMR Spectroscopy by :
Download or read book Annual Reports on NMR Spectroscopy written by and published by Academic Press. This book was released on 1999-10-04 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: These indexes are valuable volumes in the serial, bringing together what has been published over the past 38 volumes. They include a preface by the editor of the series, an author index, a subject index, a cumulative list of chapter titles, and listings of contents by volume.
