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Characterization Of The Structure And Transport Properties Of Alkali Silicate Glasses By Computer Simulations
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Book Synopsis Characterization of the Structure and Transport Properties of Alkali Silicate Glasses by Computer Simulations by : Chengde Huang
Download or read book Characterization of the Structure and Transport Properties of Alkali Silicate Glasses by Computer Simulations written by Chengde Huang and published by . This book was released on 1991 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Atomistic Simulations of Glasses by : Jincheng Du
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.
Book Synopsis Modelling of Minerals and Silicated Materials by : B. Silvi
Download or read book Modelling of Minerals and Silicated Materials written by B. Silvi and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: The modeling of minerals and silicated materials is a. difficult challenge faced by Solid StatePhysics, Quantum Chemistry and Molecular Dynamics communities. The difficulty of such a modeling is due to the wide diversity of elements, including heavy atoms,and types of bonding involved in such systems. Moreover, one has to consider infinite systems: either perfect cr- tals or glasses and melts. In the solid state a given chemical composition gives rise to numerous polymorphs, geometricallycloselyrelated. These polymorphs have very similar energies and related thermodynamical pr- erties which explain the complexity of their phase diagrams. The modeling of silicates and minerals covers a wide field of applications ranging from basic research to technology, from Solid State Physics to Earth and Planetary science. The use of modeling techniques yields information of different nature. In the case of chemical studies, we can mention inv- tigations on catalytic processes occurring on surfaces and in zeolite cages. These calculations find possible applications in chemical engineering, in particular in the oil industry.
Book Synopsis Silicate Glasses and Melts by : Bjorn Mysen
Download or read book Silicate Glasses and Melts written by Bjorn Mysen and published by Elsevier. This book was released on 2005-06-16 with total page 561 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the structure-property-composition relationships for silicate glasses and melts of industrial and geological interest. From Antiquity to the 20th century, an introductory chapter presents this subject in a historical perspective. Basic concepts are then discussed in three chapters where attention is paid to the glass transition and its various consequences on melt and glass properties, to the structural and physical differences between amorphous and crystalline silicates, and to the mutual relationships between local order, energetics and physical properties. With pure SiO2 as a starting point, compositions of increasing chemical complexity are successively dealt with in a dozen chapters. The effects of network-modifying cations on structure and properties are first exemplified by alkali and alkaline earth elements. The specific influence of aluminum, iron, titanium, and phosphorus are then reviewed. With water, volatiles in the system COHS, noble gases, and halogens, the effects of volatile components are also described. The last chapter explains how the results obtained on simpler melts can be applied to chemically complex systems. In each chapter, physical and chemical properties are described first and followed by a review of glass and melt structure. When possible, pressure effects are also considered.*From SiO2 to complex silicate compositions, the physical and chemical properties of melts and glasses of geological and industrial interest*Structural characterization of melts and glasses, from ambient to high pressure and temperature*From basic concepts to an advanced level, a consistent description of the structure-property-composition relationships in glasses and melts
Book Synopsis Computational Materials Science by : Eugene Kotomin
Download or read book Computational Materials Science written by Eugene Kotomin and published by IOS Press. This book was released on 2003 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Proceedings of the Congress: Sol-gel. Glass surface ... Archaeometry ... Education by : Alicia Durán
Download or read book Proceedings of the Congress: Sol-gel. Glass surface ... Archaeometry ... Education written by Alicia Durán and published by . This book was released on 1992 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Structure of Alkali Silicate Glasses and Melts by : Cedrick O'Shaughnessy
Download or read book The Structure of Alkali Silicate Glasses and Melts written by Cedrick O'Shaughnessy and published by . This book was released on 2019 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structure of alkali silicate glasses and melts is investigated using a multi-spectroscopic approach. Raman spectroscopy is used to characterize the local to intermediate range order within the glasses. We show that the distribution of rings varies as a function of composition, with 3-membered rings gaining importance with increasing alkali content. We apply a newly developed model for the tting of the high frequency envelope related to SiO4 symmetric stretch vibrations of Qn species. These ts are interpreted using the idea of modifier bound bridging oxygen. The proportions of the different Qn species vary with alkali concentration with Q4 species breaking down to form lower order Qn species with increasing alkali content. The Q2 peak appears at increasingly higher concentrations of M2O with increasing cation size. This leads us to believe that cations with a higher charge density cluster more readily than cations with a lower charge density. At the 20 mol. % composition we see a change in the silicate network, as shown by the absence of a Q4 peak and the proportion of 3-membered rings. The unique behaviour of lithium was investigated using X-ray absorption near-edge structure spectroscopy. We conducted experiments on a variety of lithium-bearing salts, minerals and glasses (LS: lithium silicate and LMS: lithium alkaline-earth silicate glasses) in order to characterize the lithium bonding environment. The Li K-edge position depends on the electronegativity of the element to which it is bound. The intensity of the first peak varies, depending on the existence of a 2p electron and can be used to evaluate the degree of ionicity of the bond. Crystalline lithium metasilicate has a sharp, strong intensity absorption edge whereas the lithium silicate glasses all have a weak intensity edge feature, similar to that of lithium carbonate. The area of the absorption edge peak increases with the lithium content of the LS glasses. The LMS glasses edge peak changes drastically depending on the alkaline-earth present. The peak area of the LMS glasses decreases with increasing charge density from barium to magnesium. We believe that the presence of Mg leads to more covalent-like Li-O bonds.
Book Synopsis Springer Handbook of Glass by : J. David Musgraves
Download or read book Springer Handbook of Glass written by J. David Musgraves and published by Springer Nature. This book was released on 2019-11-08 with total page 1851 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides comprehensive treatment of the current state of glass science from the leading experts in the field. Opening with an enlightening contribution on the history of glass, the volume is then divided into eight parts. The first part covers fundamental properties, from the current understanding of the thermodynamics of the amorphous state, kinetics, and linear and nonlinear optical properties through colors, photosensitivity, and chemical durability. The second part provides dedicated chapters on each individual glass type, covering traditional systems like silicates and other oxide systems, as well as novel hybrid amorphous materials and spin glasses. The third part features detailed descriptions of modern characterization techniques for understanding this complex state of matter. The fourth part covers modeling, from first-principles calculations through molecular dynamics simulations, and statistical modeling. The fifth part presents a range of laboratory and industrial glass processing methods. The remaining parts cover a wide and representative range of applications areas from optics and photonics through environment, energy, architecture, and sensing. Written by the leading international experts in the field, the Springer Handbook of Glass represents an invaluable resource for graduate students through academic and industry researchers working in photonics, optoelectronics, materials science, energy, architecture, and more.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1992 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Transport Properties of Sodium Silicate Glasses with High Water Contents by : Joyce E. Molinelli
Download or read book Transport Properties of Sodium Silicate Glasses with High Water Contents written by Joyce E. Molinelli and published by . This book was released on 1983 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Role of Chemical Structure in Electrical and Dielectric Properties of Alkali Silicate Glasses by : Ching-Hua Hsieh
Download or read book Role of Chemical Structure in Electrical and Dielectric Properties of Alkali Silicate Glasses written by Ching-Hua Hsieh and published by . This book was released on 1995 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Frontiers in Materials: Rising Stars by : Nicola Maria Pugno
Download or read book Frontiers in Materials: Rising Stars written by Nicola Maria Pugno and published by Frontiers Media SA. This book was released on 2020-04-17 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Frontiers in Materials Editorial Office team are delighted to present the inaugural “Frontiers in Materials: Rising Stars” article collection, showcasing the high-quality work of internationally recognized researchers in the early stages of their independent careers. All Rising Star researchers featured within this collection were individually nominated by the Journal’s Chief Editors in recognition of their potential to influence the future directions in their respective fields. The work presented here highlights the diversity of research performed across the entire breadth of the materials science and engineering field, and presents advances in theory, experiment and methodology with applications to compelling problems. This Editorial features the corresponding author(s) of each paper published within this important collection, ordered by section alphabetically, highlighting them as the great researchers of the future. The Frontiers in Materials Editorial Office team would like to thank each researcher who contributed their work to this collection. We would also like to personally thank our Chief Editors for their exemplary leadership of this article collection; their strong support and passion for this important, community-driven collection has ensured its success and global impact. Laurent Mathey, PhD Journal Development Manager
Book Synopsis Handbook of Glass Properties by : Narottam P. Bansal
Download or read book Handbook of Glass Properties written by Narottam P. Bansal and published by Academic Press. This book was released on 1986-05-28 with total page 700 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is a compilation of data on the properties of glasses. The authors have critically examined and correlated the most reliable data on the properties of multicomponent commercial silicate glasses, vitreous silica, and binary and ternary laboratory glasses. Thermodynamic, thermal, mechanical, electrical, and transport properties are covered. Measurement methods and appropriate theories are also discussed.
Book Synopsis Computer Simulation Study of the Mixed Alkali Silicate Glasses by : B. Vessal
Download or read book Computer Simulation Study of the Mixed Alkali Silicate Glasses written by B. Vessal and published by . This book was released on 1991 with total page 14 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 836 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Molecular Modeling Theory by : Randall T. Cygan
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.
