Download or read book Atomistic Contribution to the Understanding of Metallic and Silica Glasses written by Pawel Koziatek and published by . This book was released on 2014 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Amorphous materials are ubiquitous in everyday life. They comprise "hard" and"soft" glasses. Hard amorphous systems are usually seen as structure materials, with properties and use comparable to those of crystalline solids. Soft glasses are usually seen as complex fluids, described in terms of their rheological properties with the corresponding practical applications (concrete, paints, drilling mud, cosmetic gels, creams or foams, etc). Amorphous materials can either present a solid-like behaviour or flow depending on their mechanical load: all are yield-stress fluids. Their usage limits are often defined by the occurrence of shear-banding, an extreme form of localization seen in molecular glasses as well as in granular materials. There is now considerable evidence that they are consequences of the existence of a disordered structure at the level of the elementary constituents (atoms, particles,...). Studies of plasticity in amorphous solids, are still hampered by the lack of any identifiable defect responsible for the plastic response. It is now acknowledged that plasticity is the net result of local rearrangements, or "shear transformations", involving small clusters of (say a few tens of) particles. These rearrangements are thermally--activated and are ubiquitous processes in the structural relaxation and deformation of glasses at low temperatures. Unfortunately, they take place over timescales long compared to those accessible to direct Molecular Dynamics simulations. Some extremely promising new tools, however, are opening the route towards accelerated algorithms for the simulation of thermal systems. They are based on numerical methods developed over these last two decades to determine thermally activated transitions in atomic systems. Of particular interest here is the Activation-Relaxation Technique (ART), an eigenvector-following method that allows the identification of activated states and paths in the potential energy landscape of atomic systems. In this study, we will show that although an exhaustive search for saddle points in case of disordered solids is unfeasible (because of the exponential number of activated states), ART can identify enough saddles to build statistically relevant samples, from which stationary distributions can be computed. The purpose of this strictly numerical thesis was the prediction of thermally activated kinetics in glasses such as those encountered experimentally. The nature of such miscroscopic events occuring in disordered systems was studied both under mechanical stress and in ageing conditions. We investigate two quantities that describe thermally-activated events within the harmonic approximation of the transition state theory, i.e. activation energy and attempt frequency.Since in the definition of an attempt frequency the curvature of the initial minimum and the saddle point are present, we wanted to see if there was a relation between attempt frequencies and activation energies of a given event in two types of systems: metallic glasses and silica glasses. Such correlation had been observed before for a wide range of phenomena and is referred to as the Meyer-Neldel compensation rule. We also attempt to answer if the simple BKS potential without Ewald summation is able to reproduce polyamorphism observed in silica glasses subject to hydrostatic compression and characterized mainly in terms of coordination numbers. Apart from thermally activated processes, the structural analyses of metallic and silica glasses were performed. The short and medium range orders were characterized using two methods: Voronoi tesselations for metallic glasses, providing us information about near neighbor conformations, and in case of silica, statistics of ring distributions.

Download or read book Atomistic Simulations of Glasses written by Jincheng Du and published by John Wiley & Sons. This book was released on 2022-04-05 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 Atomistic Mechanics of Metallic and Network Glasses written by Richard Jana and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 Atomistic simulations of Silicate Glasses written by Seung Ho Hahn and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Silicate-based glasses are one of the most versatile materials in terms of technological perspective with a wide range of industrial applications. In most cases, glass products are exposed to various aqueous environments (either humid air or liquid water) and subject to physical contact with foreign objects, which leads to deterioration of chemical and mechanical properties of glass surfaces. Therefore, understanding their interactions with adsorbed interfacial water molecules is critical as it can provide physical insights needed for rational design of more durable glasses. Experimental characterization approaches have been applied to tackle difficult problems associated with the complex nature of glass surfaces but they are often limited by the time-scale resolution. As a result, they have failed to offer important structural characteristics and chemical reaction mechanisms under dynamic processes happening at the glass surface. To complement the challenges that experimental endeavors are encountering, this dissertation aims to provide a comprehensive understanding of water interactions of silicate glass surfaces using atomistic-scale simulations techniques. In particular, ReaxFF reactive force field-based molecular dynamics (MD) simulations are employed to study two distinct surface phenomena, i) surface water reaction and ii) surface mechanochemical wear process. These studies represent the surface damage process of silicate glass in the absence and presence of mechanical actions, respectively. The first part of this dissertation describes the water interactions of a silicate glass with readily leachable alkali (sodium) ions. In this study, highly complex surface chemistry, including proton/water exchange with the sodium ions, formation of relatively long-living sodium-hydroxide ionic complexes at the glass surface and eventual dissolution of those ion pairs into the water phase are described. Also, surface mapping of water binding energy to the glass surface is evaluated at different stages of the glass-water reaction, which would be relevant to assess the chemical durability of the glass materials based on the glass network topology. After the transport behavior and glass-water reaction mechanism at the surface has been identified, the mechanochemical wear process of sodium silicate glass rubbed with amorphous silica in the absence and presence of interfacial water molecules is covered in the second part of this dissertation. The effect of water molecules on the shear-induced chemical reaction at the sliding interface was investigated and the dependence of wear on the number of interfacial water molecules in ReaxFF-MD simulations was found to be qualitatively in reasonable agreement with the experimental data. The large-scale atomistic simulation approaches with ReaxFF reactive force field presented in this dissertation alleviates the limitations of DFT calculations and experiments, providing new and meaningful insights on the chemical dynamics associated within the glass-water interface.

Download or read book Silicate Glasses and Melts written by Bjorn O. Mysen and published by Elsevier. This book was released on 2018-11-27 with total page 720 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 An Introduction to Metallic Glasses and Amorphous Metals written by Zbigniew H. Stachurski and published by Elsevier. This book was released on 2021-07-28 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction to Metallic Glasses and Amorphous Metals gives a background on the physics of materials, describing relevant experimental techniques. The book presents the necessary background in physics, thermodynamics, and the mechanics of solids, before moving on to cover elasticity, plasticity, fracture and the anelastic behavior of metallic glasses, relating these properties to chemical composition, atomic arrangement, microstructure, and methods of preparation. In addition, it compares the structure-property relationships specific to metallic glasses with polycrystalline metals and alloys and describes the properties and characteristics of metallic glasses. The general features and behavior of metallic glasses are also analyzed and summarized. The book includes full derivations of theory and equations and presents a compendium of experimental methods used in materials science to characterize and study metallic glasses and amorphous solids. The title is a comprehensive resource for any researcher interested in the materials science of metallic glasses and amorphous materials. Presents the fundamental materials science needed to understand amorphous metals, metallic glasses and alloys Details manufacturing techniques for metallic glasses Gives the mechanical properties of metallic glasses Illustrates concepts with detailed tables and graphs Contains a compendium of experimental methods for use with amorphous metals and metallic glasses

Download or read book Theory of Disordered Solids written by Alessio Zaccone and published by Springer Nature. This book was released on 2023-06-30 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a consistent mathematical theory of the non-electronic physical properties of disordered and amorphous solids, starting from the atomic-level dynamics and leading to experimentally verifiable descriptions of macroscopic properties such as elastic and viscoelastic moduli, plasticity, phonons and vibrational spectra, and thermal properties. This theory begins with the assumption of the undeniable existence of an “amorphous lattice”, which allows one to relegate the theoretical uncertainties about the ultimate nature of the glass transition to a subsidiary role and thus take a more pragmatic approach towards the modelling of physical properties. The book introduces the reader not only to the subtle physical concepts underlying the dynamics, mechanics, and statistical physics of glasses and amorphous solids, but also to the essential mathematical and numerical methods that cannot be readily gleaned from specialized literature since they are spread out among many often technically demanding papers. These methods are presented in this book in such a way as to be sufficiently general, allowing for the mathematical or numerical description of novel physical phenomena observed in many different types of amorphous solids (including soft and granular systems), regardless of the atomistic details and particular chemistry of the material. This monograph is aimed at researchers and graduate-level students in physics, materials science, physical chemistry and engineering working in the areas of amorphous materials, soft matter and granular systems, statistical physics, continuum mechanics, plasticity, and solid mechanics. It is also particularly well suited to those working on molecular dynamics simulations, molecular coarse-grained simulations, as well as ab initio atomistic and DFT methods for solid-state and materials science.

Download or read book Metal Finishing Journal written by and published by . This book was released on 1956 with total page 542 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Encyclopedia of Glass Science Technology History and Culture 2 Volume Set written by Pascal Richet and published by John Wiley & Sons. This book was released on 2021-03-16 with total page 1573 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive and up-to-date encyclopedia to the fabrication, nature, properties, uses, and history of glass The Encyclopedia of Glass Science, Technology, History, and Culture has been designed to satisfy the needs and curiosity of a broad audience interested in the most varied aspects of material that is as old as the universe. As described in over 100 chapters and illustrated with 1100 figures, the practical importance of glass has increased over the ages since it was first man-made four millennia ago. The old-age glass vessels and window and stained glass now coexist with new high-tech products that include for example optical fibers, thin films, metallic, bioactive and hybrid organic-inorganic glasses, amorphous ices or all-solid-state batteries. In the form of scholarly introductions, the Encyclopedia chapters have been written by 151 noted experts working in 23 countries. They present at a consistent level and in a self-consistent manner these industrial, technological, scientific, historical and cultural aspects. Addressing the most recent fundamental advances in glass science and technology, as well as rapidly developing topics such as extra-terrestrial or biogenic glasses, this important guide: Begins with industrial glassmaking Turns to glass structure and to physical, transport and chemical properties Deals with interactions with light, inorganic glass families and organically related glasses Considers a variety of environmental and energy issues And concludes with a long section on the history of glass as a material from Prehistory to modern glass science The Encyclopedia of Glass Science, Technology, History, and Culture has been written not only for glass scientists and engineers in academia and industry, but also for material scientists as well as for art and industry historians. It represents a must-have, comprehensive guide to the myriad aspects this truly outstanding state of matter.

Download or read book The Constitution of Glasses Fundamentals of the structure of inorganic liquids and solids written by Woldemar Anatol Weyl and published by . This book was released on 1962 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Proceedings of PP1594 Topological Engineering of Ultrastrong Glasses written by Lothar Wondraczek and published by Frontiers Media SA. This book was released on 2021-02-25 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Nanocrystals written by Sudheer Neralla and published by BoD – Books on Demand. This book was released on 2012-08-29 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanocrystals research has been an area of significant interest lately, due to the wide variety of potential applications in semiconductor, optical and biomedical fields. This book consists of a collection of research work on nanocrystals processing and characterization of their structural, optical, electronic, magnetic and mechanical properties. Various methods for nanocrystals synthesis are discussed in the book. Size-dependent properties such as quantum confinement, superparamagnetism have been observed in semiconductor and magnetic nanoparticles. Nanocrystals incorporated into different material systems have proven to possess improved properties. A review of the exciting outcomes nanoparticles study has provided indicates further accomplishments in the near future.

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 Precious Metals for Biomedical Applications written by Niklaus Baltzer and published by Elsevier. This book was released on 2014-05-07 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Precious metals and semi-precious metals are used for an increasing number of medical applications due to the properties of these metals and their alloys. Precious Metals for Biomedical Applications reviews the properties of precious metals and their resulting applications in medicine. Part one outlines the fundamentals of precious metals for biomedical applications, discussing their useful properties, such as biocompatibility and corrosion resistance. Part two goes on to provide an overview of the applications of precious metals in biomedicine, including dental, therapeutic, tissue engineering, and bioimaging applications. It discusses the advantages of the structure and properties of precious metals for these applications. Precious Metals for Biomedical Applications is a key reference for material scientists and academics concerned with the properties and uses of these metals. Provides a useful review of this group of materials’ unique properties and applications Examines the fundamentals of precious metals for biomedical applications, before looking at a wide range of applications of precious metals in medicine

Download or read book Kirk Othmer Concise Encyclopedia of Chemical Technology 2 Volume Set written by Kirk-Othmer and published by John Wiley & Sons. This book was released on 2007-07-16 with total page 2762 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an easily-accessible two-volume encyclopedia summarizing all the articles in the main volumes Kirk-Othmer Encyclopedia of Chemical Technology, Fifth Edition organized alphabetically. Written by prominent scholars from industry, academia, and research institutions, the Encyclopedia presents a wide scope of articles on chemical substances, properties, manufacturing, and uses; on industrial processes, unit operations in chemical engineering; and on fundamentals and scientific subjects related to the field.

Download or read book Elasticity and Strength in Glasses written by D Uhlmann and published by Elsevier. This book was released on 2012-12-02 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: Glass: Science and Technology, Volume 5: Elasticity and Strength in Glasses covers the scientific and engineering aspects of glass elasticity and strength. This volume is organized into six chapters and begins with the examination of the elastic properties of vitreous silica and silicate glasses, including those that contain moderate amounts of other network formers. The following chapters describe the fracture mechanics and inelastic deformation of oxide, metallic, and polymeric glasses. The discussion then shifts to the concept of glass strengthening approaches and some technologies of significant practical application to glasses. A chapter explores the process of thermal tempering of glass, including the physics, theories, and standards of the process. The last chapter focuses on the practical aspects of chemical strengthening and the mechanical and physical properties of the obtained glass. This book is of great benefit to glass scientists and researchers.