Download or read book Atomistic Simulations of Glasses written by Jincheng Du and published by John Wiley & Sons. This book was released on 2022-03-29 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with structural analysis techniques and property calculation methods for the models of glass generated from these atomistic simulations, before moving on to practical examples of the application of atomistic simulations in the research of several glass systems. The authors describe simulations of silica, silicate, aluminosilicate, borosilicate, phosphate, halide and oxyhalide glasses with up-to-date information and explore the challenges faced by researchers when dealing with these systems. Both classical and ab initio methods are examined and comparison with experimental structural and property data provided. Simulations of glass surfaces and surface-water reactions are also covered. Atomistic Simulations of Glasses includes multiple case studies and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for optical, electronic, architecture applications to high technology fields such as flat panel displays, nuclear waste disposal, and biomedicine. The book also includes: A thorough introduction to the fundamentals of atomistic simulations, including classical, ab initio, Reverse Monte Carlo simulation and topological constraint theory methods Important ingredients for simulations such as interatomic potential development, structural analysis methods, and property calculations are covered Comprehensive explorations of the applications of atomistic simulations in glass research, including the history of atomistic simulations of glasses Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses In-depth examinations of glass surfaces and silicate glass-water interactions Perfect for glass, ceramic, and materials scientists and engineers, as well as physical, inorganic, and computational chemists, Atomistic Simulations of Glasses: Fundamentals and Applications is also an ideal resource for condensed matter and solid-state physicists, mechanical and civil engineers, and those working with bioactive glasses. Graduate students, postdocs, senior undergraduate students, and others who intend to enter the field of simulations of glasses would also find the book highly valuable.
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.
Download or read book Proceedings of the International Symposium on Semiconductor Wafer Bonding written by and published by . This book was released on 1993 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fiberglass Science and Technology written by Hong Li and published by Springer Nature. This book was released on 2021-08-20 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights recent developments in fiberglass research and technology development, including high-performance fiberglass chemistry; in-depth glass network structure information derived from the-state-of-the-art spectroscopic measurements, molecular dynamics simulations, and their correlations with properties; fiber surface chemistry in relation to sizing chemistry - a critical part of composite performance; fiber process stability; fundamental understanding of the batch-to-melt conversion processes and melt flow simulations; and environmental concerns such as energy efficiency and emission of volatile species, which are key to environmentally-friendly product manufacturing. The book aims to guide fiberglass researchers and manufacturers towards better awareness and, perhaps, provides potential options for global ecosystem management. More than 500 current references are included, which will enable researchers from fiber glass industry and research institution access to the most recent progress in fiberglass science and technology. Advances scientific understanding of fiberglass-forming processes, rising in popularity as a building material throughout the world; Describes the current advances in the structure and formation of fiber glass, beginning with chemistry, a wide range of characterizations, and processes, through to applications; Contains information on environmental aspects of fiberglass production, addressing energy consumption and emission.
Download or read book Molecular Modeling Theory written by Randall T. Cygan and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 42 of Reviews in Mineralogy and Geochemistry covers the Applications in the Geosciences via Molecular Modeling Theory. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools and to become aware of the limits in applying these state-of-the-art methods to solve geosciences problems. The review chapters in this volume were the basis for a short course on molecular modeling theory jointly sponsored by the Geochemical Society (GS) and the Mineralogical Society of America (MSA) May 18-20, 2001 in Roanoke, Virginia which was held prior to the 2001 Goldschmidt Conference in nearby Hot Springs, Virginia.
Download or read book Silicate Melts written by Sharon Webb and published by Springer. This book was released on 1997-07-17 with total page 88 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the experimental determination of the physical properties of silicate melts and magmas close to glass transition. Abundant new data are presented. The same type of measurement is performed on a range of melts to test the effect of composition on physical properties; and a range of different techniques are used to determine the same physical properties to illustrate the relationships between the relaxation of the melt structure and the relaxation of its physical properties. This book is of interest to experimental researchers in the discussion of data obtained from both a materials science and a geoscientific point of view.
Download or read book Industrial Applications of Molecular Simulations written by Marc Meunier and published by CRC Press. This book was released on 2016-04-19 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the futu
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2004 with total page 854 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reviews in Computational Chemistry Volume 16 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 16 Reviews In Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The focus of this book is on methods useful in molecular design. Tutorials and reviews span (1) methods for designing compound libraries for combinatorial chemistry and high throughput screening, (2) the workings of artificial neural networks and their use in chemistry, (3) force field methods for modeling materials and designing new substances, and (4) free energy perturbation methods of practical usefulness in ligand design. From Reviews of the Series "This series spans all the subdisciplines in the field, from techniques to practical applications, and includes reviews from many of the acknowledged leaders in the field. the reviews cross many subdisciplines yet are both general enough to be of wide interest while including detailed information of use to workers in particular subdisciplines." -Journal of the American Chemical Society
Download or read book Silicate Glasses and Melts written by Bjorn Mysen and published by Elsevier. This book was released on 2018-11-27 with total page 722 pages. Available in PDF, EPUB and Kindle. Book excerpt: Silicate Glasses and Melts, Second Edition describes the structure-property-composition relationships for silicate glasses and melts from a geological and industrial perspective. Updated sections include (i) characterization of silicate melt and COHN fluid structure (with and without dissolved silicate components) with pressure, temperature, and redox conditions and responses of structural variables to chemical composition, (ii) determination of solubility and solution mechanisms of COHN volatiles in silicate melts and minerals and of solubility and solution mechanisms of silicate components in COHN fluids, and (iii) effects of very high pressure on structure and properties of melts and glasses. This new book is an essential resource for researchers in a number of fields, including geology, geophysics, geoscience, volcanology, material science, glass science, petrology and mineralogy. - Brings together multidisciplinary research scattered across the scientific literature into one reference, with a focus on silicate melts and their application to natural systems - Emphasizes linking melt properties to melt structure - Includes a discussion of the pros and cons of the use of glass as a proxy for melt structure and properties - Written by highly regarded experts in the field who, among other honors, were the 2006 recipients of the prestigious G.W. Morey award of the American Ceramic Society
Download or read book Research Report written by Rutgers University. College of Engineering and published by . This book was released on 1986 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Colloidal Silica written by Horacio E. Bergna and published by CRC Press. This book was released on 2005-12-19 with total page 926 pages. Available in PDF, EPUB and Kindle. Book excerpt: In spite of the apparent simplicity of silica's composition and structure, scientists are still investigating fundamental questions regarding the formation, constitution, and behavior of colloidal silica systems. Colloidal Silica: Fundamentals and Applications introduces new information on colloid science related to silica chemistry as well
Download or read book Defects in Glasses Volume 61 written by F. L. Galeener and published by . This book was released on 1986-04-15 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.
Download or read book Geological Melts written by Daniel R. Neuville and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-07-04 with total page 1108 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 87 of Reviews in Mineralogy and Geochemistry covers fundamental aspects of the nature of silicate melts and the implications for the systems in which they participate, both technological and natural. The contents of this volume may perhaps best be summarized as structure – properties – dynamics. The volume contains syntheses of short and medium range order, structure-property relationships, and computation-based simulations of melt structure. It continues with analyses of the properties (mechanical, diffusive, thermochemical, redox, nucleation, rheological) of melts. The dynamic behavior of melts in magmatic and volcanic systems, is then treated in the context of their behavior in magma mixing, strain localization, frictional melting, magmatic fragmentation, and hot sintering. Finally, the non-magmatic, extraterrestrial and prehistoric roles of melt and glass are presented in their respective contexts.
Download or read book Engineered Materials Abstracts written by and published by . This book was released on 1995 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Effects of Modes of Formation on the Structure of Glass written by R.A. Weeks and published by Trans Tech Publications Ltd. This book was released on 1987-01-01 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 2nd International Conference on Effects of Modes of Formation on the Structure of Glass, Nashville, USA, 1987
Download or read book American Doctoral Dissertations written by and published by . This book was released on 2002 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt:
