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Comparison Of Model Potentials For Molecular Dynamics Simulation Of Crystalline Silicia
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Book Synopsis Simulation of Transport in Nanodevices by : François Triozon
Download or read book Simulation of Transport in Nanodevices written by François Triozon and published by John Wiley & Sons. This book was released on 2016-11-22 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linear current-voltage pattern, has been and continues to be the basis for characterizing, evaluating performance, and designing integrated circuits, but is shown not to hold its supremacy as channel lengths are being scaled down. In a nanoscale circuit with reduced dimensionality in one or more of the three Cartesian directions, quantum effects transform the carrier statistics. In the high electric field, the collision free ballistic transform is predicted, while in low electric field the transport remains predominantly scattering-limited. In a micro/nano-circuit, even a low logic voltage of 1 V is above the critical voltage triggering nonohmic behavior that results in ballistic current saturation. A quantum emission may lower this ballistic velocity.
Book Synopsis Molecular Dynamics Simulations of Disordered Materials by : Carlo Massobrio
Download or read book Molecular Dynamics Simulations of Disordered Materials written by Carlo Massobrio and published by Springer. This book was released on 2015-04-22 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.
Book Synopsis The Chemistry and Physics of Engineering Materials by : Alexandr A. Berlin
Download or read book The Chemistry and Physics of Engineering Materials written by Alexandr A. Berlin and published by CRC Press. This book was released on 2018-07-17 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new volume focuses on the limitations, properties, and models in the chemistry and physics of engineering materials that have potential for applications in several disciplines of engineering and science. Contributions range from new methods to novel applications of existing methods. The collection of topics in this volume reflects the diversity of recent advances in chemistry and physics of engineering materials with a broad perspective that will be useful for scientists as well as for graduate students and engineers. This new book presents leading-edge research from around the world. Topics in the book include: • aerogels materials and technology • diffusion dynamics in nanomaterials • entropic nomograms • structural analyses of particulate-filled polymer nanocomposites mechanical properties • protection of rubbers against aging • structure-property correlation and forecast of corrosion This volume is also sold as part of a two-volume set. Volume 1 focuses on modern analytic methodologies in the chemistry and physics of engineering materials.
Book Synopsis Dynamics of Glassy, Crystalline and Liquid Ionic Conductors by : Junko Habasaki
Download or read book Dynamics of Glassy, Crystalline and Liquid Ionic Conductors written by Junko Habasaki and published by Springer. This book was released on 2016-10-19 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the physics of the dynamics of ions in various ionically conducting materials, and applications including electrical energy generation and storage. The experimental techniques for measurements and characterization, molecular dynamics simulations, the theories of ion dynamics, and applications are all addressed by the authors, who are experts in their fields. The experimental techniques of measurement and characterization of dynamics of ions in glassy, crystalline, and liquid ionic conductors are introduced with the dual purpose of introducing the reader to the experimental activities of the field, and preparing the reader to understand the physical quantities derived from experiments. These experimental techniques include calorimetry, conductivity relaxation, nuclear magnetic resonance, light scattering, neutron scattering, and others. Methods of molecular dynamics simulations are introduced to teach the reader to utilize the technique for practical applications to specific problems. The results elucidate the dynamics of ions on some issues that are not accessible by experiments. The properties of ion dynamics in glassy, crystalline and liquid ionic conductors brought forth by experiments and simulations are shown to be universal, i.e. independent of physical and chemical structure of the ionic conductor as long as ion-ion interaction is the dominant factor. Moreover these universal properties of ion dynamics are shown to be isomorphic to other complex interacting systems including the large class of glass-forming materials with or without ionic conductivity.By covering the basic concepts, theories/models, experimental techniques and data, molecular dynamics simulations, and relating them together, Dynamics of Glassy, Crystalline and Liquid Ionic Conductors will be of great interest to many in basic and applied research areas from the broad and diverse communities of condensed matter physicists, chemists, materials scientists and engineers. The book also provides the fundamentals for an introduction to the field and it is written in such a way that can be used for teaching courses either at the undergraduate or graduate level in academic institutions.
Book Synopsis Molecular Dynamics Simulations by : Fumiko Yonezawa
Download or read book Molecular Dynamics Simulations written by Fumiko Yonezawa and published by Springer. This book was released on 1992 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics by : Lichang Wang
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
Book Synopsis Materials Behavior by : Mihai Ciocoiu
Download or read book Materials Behavior written by Mihai Ciocoiu and published by CRC Press. This book was released on 2018-06-26 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of advanced materials has become extremely important in the last decade, being widely used in academic and industrial research. This book examines the potential of advanced materials as well as nanotechnology to improve fiber science from fibril to fabric mode, to create better materials and products for a variety of aspects. The book presents research advances in materials behavior using fractal analysis, mathematical modeling and simulation, and other methods. Examined are electrical, mechanical, optical, and magnetic properties; size; morphology; and chemical behavior of such materials as aerogels, polymer films, nanocomposite materials, natural composites, catalysis, and more with a view to their application in the medical, engineering, and textile fields. With chapters written by eminent scientists, the book offers valuable information for academics, researchers, and engineering professionals. Contributions range from new methods to novel applications of existing methods to help readers gain understanding of the material and/or structural behavior of new and advanced systems.
Book Synopsis Fundamentals of Radiation Materials Science by : GARY S. WAS
Download or read book Fundamentals of Radiation Materials Science written by GARY S. WAS and published by Springer. This book was released on 2016-07-08 with total page 1014 pages. Available in PDF, EPUB and Kindle. Book excerpt: The revised second edition of this established text offers readers a significantly expanded introduction to the effects of radiation on metals and alloys. It describes the various processes that occur when energetic particles strike a solid, inducing changes to the physical and mechanical properties of the material. Specifically it covers particle interaction with the metals and alloys used in nuclear reactor cores and hence subject to intense radiation fields. It describes the basics of particle-atom interaction for a range of particle types, the amount and spatial extent of the resulting radiation damage, the physical effects of irradiation and the changes in mechanical behavior of irradiated metals and alloys. Updated throughout, some major enhancements for the new edition include improved treatment of low- and intermediate-energy elastic collisions and stopping power, expanded sections on molecular dynamics and kinetic Monte Carlo methodologies describing collision cascade evolution, new treatment of the multi-frequency model of diffusion, numerous examples of RIS in austenitic and ferritic-martensitic alloys, expanded treatment of in-cascade defect clustering, cluster evolution, and cluster mobility, new discussion of void behavior near grain boundaries, a new section on ion beam assisted deposition, and reorganization of hardening, creep and fracture of irradiated materials (Chaps 12-14) to provide a smoother and more integrated transition between the topics. The book also contains two new chapters. Chapter 15 focuses on the fundamentals of corrosion and stress corrosion cracking, covering forms of corrosion, corrosion thermodynamics, corrosion kinetics, polarization theory, passivity, crevice corrosion, and stress corrosion cracking. Chapter 16 extends this treatment and considers the effects of irradiation on corrosion and environmentally assisted corrosion, including the effects of irradiation on water chemistry and the mechanisms of irradiation-induced stress corrosion cracking. The book maintains the previous style, concepts are developed systematically and quantitatively, supported by worked examples, references for further reading and end-of-chapter problem sets. Aimed primarily at students of materials sciences and nuclear engineering, the book will also provide a valuable resource for academic and industrial research professionals. Reviews of the first edition: "...nomenclature, problems and separate bibliography at the end of each chapter allow to the reader to reach a straightforward understanding of the subject, part by part. ... this book is very pleasant to read, well documented and can be seen as a very good introduction to the effects of irradiation on matter, or as a good references compilation for experimented readers." - Pauly Nicolas, Physicalia Magazine, Vol. 30 (1), 2008 “The text provides enough fundamental material to explain the science and theory behind radiation effects in solids, but is also written at a high enough level to be useful for professional scientists. Its organization suits a graduate level materials or nuclear science course... the text was written by a noted expert and active researcher in the field of radiation effects in metals, the selection and organization of the material is excellent... may well become a necessary reference for graduate students and researchers in radiation materials science.” - L.M. Dougherty, 07/11/2008, JOM, the Member Journal of The Minerals, Metals and Materials Society.
Book Synopsis High Performance Computing in Science and Engineering ’03 by : Egon Krause
Download or read book High Performance Computing in Science and Engineering ’03 written by Egon Krause and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the state of the art in modeling and simulation on supercomputers. Leading German research groups present their results achieved on high-end systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2003. The reports cover all fields of computational science and engineering ranging from computational fluid dynamics via computational physics and chemistry to computer science. Special emphasis is given to industrially relevant applications. Presenting results for both vector-systems and micro-processor based systems, the book allows the reader to compare performance levels and usability of a variety of supercomputer architectures. In the light of the success of the Japanese Earth-Simulator, this book may serve as a guide book for a US response. The book covers the main methods in high performance computing. Its outstanding results in achieving highest performance for production codes are of particular interest for both the scientist and the engineer. The book comes with a wealth of color illustrations and tables of results.
Book Synopsis Analysis of the Composition and Structure of Glass and Glass Ceramics by : Hans Bach
Download or read book Analysis of the Composition and Structure of Glass and Glass Ceramics written by Hans Bach and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book completely devoted to the subject, this volume describes the analysis of the composition and structure of glass and glass ceramics. Although conceived as a monograph, the individual chapters are written by leading Schott experts on the corresponding subjects.
Book Synopsis The Physics and Chemistry of SiO2 and the Si-SiO2 Interface--4, 2000 by : Hisham Z. Massoud
Download or read book The Physics and Chemistry of SiO2 and the Si-SiO2 Interface--4, 2000 written by Hisham Z. Massoud and published by . This book was released on 2000 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Glass Science and Technology written by and published by . This book was released on 2005 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fundamentals written by D. T. J. Hurle and published by Elsevier. This book was released on 2013-10-22 with total page 697 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume I - Fundamentals addresses the underlying scientific principles relevant to all the techniques of crystal growth. Following a Foreword by Professor Sir Charles Frank and an historical introduction, the first part contains eight chapters devoted to thermodynamic, kinetic and crystallographic aspects including computer simulation by molecular dynamics and Monte Carlo methods. The second part, comprising a further seven chapters, is devoted to bulk transport effects and the influence of transport-limited growth on the stability of both isolated growth forms (such as the dendrite) and arrays, and on the cooperative effects which lead to pattern formation. All the presentations are superbly authoritative.
Book Synopsis Multiscale Modeling of Particle Interactions by : Michael King
Download or read book Multiscale Modeling of Particle Interactions written by Michael King and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.
Book Synopsis Mathematical Analysis of Continuum Mechanics and Industrial Applications II by : Patrick van Meurs
Download or read book Mathematical Analysis of Continuum Mechanics and Industrial Applications II written by Patrick van Meurs and published by Springer. This book was released on 2017-11-16 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the sequel to the proceedings of the International Conference of Continuum Mechanics Focusing on Singularities (CoMFoS15), the proceedings of CoMFoS16 present further advances and new topics in mathematical theory and numerical simulations related to various aspects of continuum mechanics. These include fracture mechanics, shape optimization, modeling of earthquakes, material structure, interface dynamics and complex systems.. The authors are leading researchers with a profound knowledge of mathematical analysis from the fields of applied mathematics, physics, seismology, engineering, and industry. The book helps readers to understand how mathematical theory can be applied to various industrial problems, and conversely, how industrial problems lead to new mathematical challenges.
Book Synopsis Molecular Simulation and Industrial Applications by : Keith E. Gubbins
Download or read book Molecular Simulation and Industrial Applications written by Keith E. Gubbins and published by Taylor & Francis. This book was released on 1996 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Book Synopsis Machining and Tribology by : Alokesh Pramanik
Download or read book Machining and Tribology written by Alokesh Pramanik and published by Elsevier. This book was released on 2021-10-16 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machining and Tribology provides insight into both the role of tribology in machining and the effects of various machining processes on tribology, exploring topics such as machining mechanisms, coolant technology, tool wear, and more. Covering the latest research, the book starts by looking at the tribological aspects of turning, milling, and drilling processes. From there, it explores the effects of different coolants such as flood, minimum quantity lubrication, and cryogenics on machining forces, tool wear, friction, chip formation, and surface generation during various machining processes. Tribological considerations of machined components follow, and the volume concludes with chapters covering simulation scenarios for predicting machining forces, tool wear, surface generation, and chip formation. - Draws upon the science of tribology to better understand, predict, and improve machining processes - Covers tribology in different types of machining such as turning, milling, grinding, abrasive jet machining, and others - Explores the underlying mechanisms of coolant contributions on machining processes - Applies simulation techniques to explore the mechanism of nano-machining
