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Decoding The Relationship Between Composition And Various Properties Of Calcium Silicate And Calcium Aluminosilicate Glasses
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Book Synopsis Decoding the Relationship Between Composition and Various Properties of Calcium Silicate and Calcium Aluminosilicate Glasses by : Yushu Hu
Download or read book Decoding the Relationship Between Composition and Various Properties of Calcium Silicate and Calcium Aluminosilicate Glasses written by Yushu Hu and published by . This book was released on 2020 with total page 98 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation contributes to decode the relationship between glass composition and various properties that are crucial to novel glass design by performing molecular dynamics simulations. The topics include the prediction of glass transition temperature, the origin of glass-forming ability, and the impact of cooling rate on glass relaxation. In general, the first two properties are analyzed by utilizing topological constraint theory. By combining molecular dynamics simulations and topological constraint theory, a fully analytical model is developed to predict the fictive glass transition temperature of (CaO)x(SiO2)1-x glass system. To be specific, this model takes composition as input and provides the prediction of glass transition temperature as output. On the other hand, glass-forming ability is an important factor that guides the manufacturing process while sometimes imposes limitations to glass engineering. Despite many empirical successes to identify and characterize glass-forming ability in various glass systems, there exists a lack of knowledge of physical details in the glass structure. Here, we conduct molecular dynamics simulations of a series of calcium silicate glasses. We show that the flexible-to-rigid topological transition coincides with the compositional window that has optimal glass-forming ability. By explaining this transition from the aspect of internal flexibility and internal stress within the network, we aim to provide an alternative topological explanation for the nature of glass-forming ability. Chapter 3 is a reprint of a previously published journal article. It demonstrates the impact of cooling rate on glass transition by analyzing glass relaxation and hysteresis of a series of silicate glasses. It proves that by extrapolating simulation data, one can access the results that are close to those generated from experimental cooling rates.
Book Synopsis Composition and Temperature Effects on Minor Structural Species in Aluminosilicate Melts and Glasses by : Linda Marie Bishop Thompson
Download or read book Composition and Temperature Effects on Minor Structural Species in Aluminosilicate Melts and Glasses written by Linda Marie Bishop Thompson and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: In order to better understand the structure of aluminosilicate glasses and its impact on thermodynamic and transport properties, this work studies the effects of compositional and temperature variations on minor structural species in a series of aluminosilicate glasses. The presence of high-energy minor structural species such as non-bridging oxygen (NBO) and five-coordinated aluminum are not predicted by "standard" models of glass structure along the metaluminous (charge-balanced) join, where they have been observed using aluminum and oxygen nuclear magnetic resonance (NMR) spectroscopy. Two series of calcium aluminosilicate glasses were made along different silica isopleths, crossing the metaluminous join. The rate at which the five-coordinated aluminum content increases in the peraluminous region suggests that the additional aluminum is incorporated into the melt using 3-coordinated oxygen. The presence of NBO into the peraluminous region is confirmed and its value is affected by the Si/Al ratio. A similar, smaller series of potassium aluminosilicate glasses also shows the presence of NBO on the metaluminous join but at a much lower value than observed in the calcium aluminosilicate glasses. However, a series of barium aluminosilicate glasses (at a lower silica content) shows NBO content consistent with similar calcium aluminosilicate glasses; this suggests that the presence of non-stoichiometric NBO along the metaluminous join is driven by cation charge instead of cation field strength, which is confirmed to affect the amount of five-coordinated aluminum. To study the effect of temperature on these minor structural species, the glass-forming calcium aluminosilicate melts were cooled at different rates to sample the glass structure at different fictive temperatures. The five-coordinated aluminum content clearly increased with increasing fictive temperature across all samples studied, while the NBO content showed the clearest increase with increased fictive temperature in the peraluminous and high silica samples. All of these comparisons support the need for decoupled structural reactions to produce NBO and five-coordinated aluminum in these regions. Additionally, the accuracy of oxygen NMR on quantitation of structural species was tested using silicate minerals and glasses, verifying the reliability of these measurements and reaffirming that stoichiometry based methods of predicting NBO in silicate glasses remain valid.
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 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
Book Synopsis Predicting the Young's Modulus of Silicate Glasses by Molecular Dynamics Simulations and Machine Learning by : Kai Yang
Download or read book Predicting the Young's Modulus of Silicate Glasses by Molecular Dynamics Simulations and Machine Learning written by Kai Yang and published by . This book was released on 2020 with total page 85 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the compositional dependence of properties of silicate glass is critical to design novel glasses for various technology applications. With the development in molecular dynamics simulations and machine learning techniques, a combined and fully computational approach, which is able to reveal the relationship between glass composition and its mechanical properties, can be developed and served as a guide prior to experiments and manufacturing. On one hand, machine learning is a powerful tool to predict the properties based on the existing database. On the other hand, molecular dynamics simulation cannot only produce sufficient data points for machine learning models but also provide a detailed picture of the atomic structure of glasses. This atomic-scale knowledge from molecular dynamics simulation contains an intrinsic relationship between glass compositions and their mechanical properties. Here, we first use molecular dynamics simulation to generate the dataset for calcium aluminosilicate glasses and apply different machine learning models to predict their Young's modulus using glass compositions in Chapter 1. Next, we apply topological constraint theory to quantify the atomic structures of simulated glasses and use this knowledge to predict Young's modulus for calcium aluminosilicate glass family in Chapter 2. Last, in Chapter 3, we propose a fully analytical model to link the network topology with glass compositions.
Book Synopsis Processing-Structure-Property Relations In Phase Separated Calcium Aluminosilicate Glasses by : Nicholas Lamar Clark
Download or read book Processing-Structure-Property Relations In Phase Separated Calcium Aluminosilicate Glasses written by Nicholas Lamar Clark and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoscale phase separation is currently being investigated as a method control the mechanical properties of glasses without compromising its transparency. For this approach to be successful, comprehensive relationships between processing and microstructure, and microstructure and hardness will be needed. The first stage of this dissertation examines the evolution of the microstructure of phase separated CAS glasses in response to thermal treatment. The microstructures are analyzed via image analysis of FESEM micrographs, and the results were used to characterize the droplet coarsening mechanisms. This information was then used to synthesize glasses with specific microstructure characteristics. Vickers indentation was used to measure the indentation hardness. The microstructure within the indents were then image and analyzed to study and characterize the mechanisms of microstructure yielding. Variations in glass hardness due to phase separation were found to arise from a combination of the yielding mechanisms and phase compositions of the microstructure. Finally, a simple model was developed which allowed for transitions between microstructure yielding mechanisms to be predicted from the initial microstructure as a function of load.
Book Synopsis Surface Analysis of Calcium Aluminosilicate Glasses After Aqueous Corrosion by : Daniel Kramer
Download or read book Surface Analysis of Calcium Aluminosilicate Glasses After Aqueous Corrosion written by Daniel Kramer and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The calcium aluminosilicate glass (CAS) system is a useful ternary system to evaluate the corrosion response of alkaline earth aluminosilicate glass surfaces. The chemical durability of this glass system has not been well studied, but is relevant to both fundamental glass science and industrial glass manufacturing where alkali-free aluminosilicate glasses are exposed to corrosive conditions during processing for electronics and optics. The objective of this work is to relate the bulk composition to surface response for various compositions in the calcium aluminosilicate system. These studies emphasized the characterization of CAS glass surfaces before and after corrosion in combination with existing solution chemistry experiments. Corrosion effects such as altered layer formation and hydration were studied for a range of CAS glass compositions. Surface characterization techniques such as x-ray photoelectron spectroscopy (XPS), infrared vibrational spectroscopy (FTIRRS, ATR-IR), and secondary ion-mass spectrometry (D-SIMS) were used to characterize the glass surfaces. The surface response of CAS glass surfaces was found to depend on composition, solution pH, and reaction time. For relatively high-silica CAS glasses (>70% SiO2), incongruent dissolution was not found to be an in-depth effect of corrosion even in strong acid conditions as observed for other glass systems such as the sodium aluminosilicate glass system. Analysis of the reacted glass surfaces indicated the attack of Al-O bonds and release of calcium as the primary mode of degradation in acidic solution. The reactivity of the glass surfaces was found to trend with the relative amount of alumina in the bulk composition.
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 The Dependence of the Physical Properties of Calcium and Magnesium Glass on the Chemical Composition of the Glass by : C. M. Pritchard
Download or read book The Dependence of the Physical Properties of Calcium and Magnesium Glass on the Chemical Composition of the Glass written by C. M. Pritchard and published by . This book was released on 1909 with total page 44 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Some Physical and Mechanical Properties of Iron Calcium Silicate Glasses-iron Composites by : Hani Louis Rizkalla
Download or read book Some Physical and Mechanical Properties of Iron Calcium Silicate Glasses-iron Composites written by Hani Louis Rizkalla and published by . This book was released on 1981 with total page 176 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 Waste Immobilization in Glass and Ceramic Based Hosts by : Ian W. Donald
Download or read book Waste Immobilization in Glass and Ceramic Based Hosts written by Ian W. Donald and published by John Wiley & Sons. This book was released on 2010-04-01 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: The safe storage in glass-based materials of both radioactiveand non-radioactive hazardous wastes is covered in a single book,making it unique Provides a comprehensive and timely reference source at thiscritical time in waste management, including an extensive andup-to-date bibliography in all areas outlined to waste conversionand related technologies, both radioactive and non-radioactive Brings together all aspects of waste vitrification, drawscomparisons between the different types of wastes and treatments,and outlines where lessons learnt in the radioactive waste fieldcan be of benefit in the treatment of non-radioactive wastes
Download or read book Photonic Glasses written by Fuxi Gan and published by World Scientific. This book was released on 2006 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces the fundamental mechanism of photonic glasses - the linear and nonliner optical effects in glass under intense light irradiation: photo-induced absorption, refraction, polarization, frequency, coherence and monochromaticity changes. Emphasis is placed on new developments in the structure, spectroscopy and physics of new glassy materials for photonics applications, such as optical communication, optical data storage, new lasers and new photonic components and devices. The book presents the research results of the authors in new glasses for photonics over the last decade.
Book Synopsis New Perspectives on Mineral Nucleation and Growth by : Alexander E.S. Van Driessche
Download or read book New Perspectives on Mineral Nucleation and Growth written by Alexander E.S. Van Driessche and published by Springer. This book was released on 2017-01-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last decade, numerous studies have demonstrated the existence of alternative pathways to nucleation and crystallisation that oppose the classical view. Such proposed scenarios include multistage reactions proceeding via various precursor species and/or intermediate phases. The aim of this book is to review and discuss these recent advances in our understanding of the early stages of mineralisation through a series of contributions that address both experimental and theoretical studies about the formation and nature of initial precursor species (e.g., prenucleation clusters, dense liquid phases, amorphous nanoparticles, etc.) as well as their transformations leading to the stable mineral phase. Several chapters are devoted to cutting-edge analytical techniques used for investigating the above processes in situ, in real time and at conditions relevant to both natural and industrial processes. At the end of the book, the editors summarize the key questions that still need to be addressed in order to establish a complete picture of the nucleation and growth processes involved during the formation of minerals
Book Synopsis Core Concepts in Supramolecular Chemistry and Nanochemistry by : Jonathan W. Steed
Download or read book Core Concepts in Supramolecular Chemistry and Nanochemistry written by Jonathan W. Steed and published by John Wiley & Sons. This book was released on 2007-04-30 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supramolecular chemistry and nanochemistry are two strongly interrelated cutting edge frontiers in research in the chemical sciences. The results of recent work in the area are now an increasing part of modern degree courses and hugely important to researchers. Core Concepts in Supramolecular Chemistry and Nanochemistry clearly outlines the fundamentals that underlie supramolecular chemistry and nanochemistry and takes an umbrella view of the whole area. This concise textbook traces the fascinating modern practice of the chemistry of the non-covalent bond from its fundamental origins through to it expression in the emergence of nanochemistry. Fusing synthetic materials and supramolecular chemistry with crystal engineering and the emerging principles of nanotechnology, the book is an ideal introduction to current chemical thought for researchers and a superb resource for students entering these exciting areas for the first time. The book builds from first principles rather than adopting a review style and includes key references to guide the reader through influential work. supplementary website featuring powerpoint slides of the figures in the book further references in each chapter builds from first principles rather than adopting a review style includes chapter on nanochemistry clear diagrams to highlight basic principles
Book Synopsis Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials by : Cesare Pisani
Download or read book Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials written by Cesare Pisani and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.
Book Synopsis Alkaline-Earth Metal Compounds by : Sjoerd Harder
Download or read book Alkaline-Earth Metal Compounds written by Sjoerd Harder and published by Springer. This book was released on 2013-07-20 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics in pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors.
Book Synopsis Biocompatible Glasses by : Juliana Marchi
Download or read book Biocompatible Glasses written by Juliana Marchi and published by Springer. This book was released on 2016-11-30 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the applications of bioglasses in the biomedical field. It starts with the history and evolution of bioglasses before moving on to the structure and percolation theory, and lastly investigating their current and potential future applications in various fields including dentistry, tissue engineering, bone regeneration, ophthalmology, and drug delivery. The chapters were written by a team of international experts in the field and will be of great interest not only to material scientists, but also to medical doctors and other health sector professionals.
