Atomistic Simulations of Glasses
Atomistic Simulations of Glasses

Author: Jincheng Du

Publisher: John Wiley & Sons

Published: 2022-04-05

Total Pages: 564

ISBN-13: 1118939069

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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.

Atomistic Simulations of Glasses
Atomistic Simulations of Glasses

Author: Jincheng Du

Publisher: John Wiley & Sons

Published: 2022-03-29

Total Pages: 564

ISBN-13: 1118940245

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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.

Borate Glasses
Borate Glasses

Author: L. D. Pye

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 631

ISBN-13: 1468433571

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Boron Oxide plays a key role in numerous glasses of high technological importance, yet its role in glass structure is far from clear. Indeed, in recent years there have been serious chal lenges to previous structure concepts for both crystalline and glassy borates. These challenges were sufficient to warrant a re examination of the structure of borate glasses using the most pow erful tools currently available. To provide a suitable forum for this undertaking, a four-day conference on "Boron in Glass and Glass Ceramics" was convened at Alfred University, June 3-8, 1977 to review the best scientific thinking on structure and to debate conflicting views and discuss properties and applications of borate glasses. This conference was also the first in a New University series on Glass Science to be rotated among Alfred University, The Pensyl vania State University, Rensselaer Polytechnic Institute, and the University of Missouri-Rolla. The present volume represents the proceedings of the first conference in this series. The volume begins with a review of the remarkable contribution of Jan Krogh-Moe to the understanding of the structure of Borate glasses. This review, authored by Professor N. J. Kreidl, concludes by dedicating the proceedings of this conference as a Krogh-Moe Fest schrift. The volume continues with a historical review by D. L. Griscom, originally prepared for circulation to the contributors prior to the conference. An Epilogue to the opening chapter brings the survey up-to-date in light of the conference papers.

Fiberglass Science and Technology
Fiberglass Science and Technology

Author: Hong Li

Publisher: Springer Nature

Published: 2021-08-20

Total Pages: 555

ISBN-13: 3030722007

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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.

Handbook of Glass Properties
Handbook of Glass Properties

Author: Narottam P. Bansal

Publisher: Elsevier

Published: 2013-10-22

Total Pages: 691

ISBN-13: 0080523765

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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.

Molecular Dynamics Simulations of Disordered Materials
Molecular Dynamics Simulations of Disordered Materials

Author: Carlo Massobrio

Publisher: Springer

Published: 2015-04-22

Total Pages: 540

ISBN-13: 3319156756

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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.

Overall Aspects of Non-Traditional Glasses: Synthesis, Properties and Applications
Overall Aspects of Non-Traditional Glasses: Synthesis, Properties and Applications

Author: Helena Cristina de Sousa Pereira Meneses e Vasconcelos

Publisher: Bentham Science Publishers

Published: 2016-05-01

Total Pages: 164

ISBN-13: 1681082071

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The considerable proliferation of new glasses during the second half of the 20th century (germanate, vanadate, bismuthate, tellurite, chalchogenide glasses, etc.) brought about the use the plural form of the 4 generic glass denomination, in order to be able to index each emerging glass family by its proper name, as well as to classify them methodically. Together with its great compositional versatility, the peculiar characteristics of glass (non-crystalline structure with short-range order, continuous network with no intergranular boundaries, isotropy, easy to be formed into a plastic state inside a wide temperature range) allow for a freedom of design and adaptability that few materials are able to offer. All these circumstances have contributed to the fact that, in the last seventy years, glass has acquired the multiple and varied appearance of its new families, without losing neither its original image nor its soda-lime-silica traditional composition, destined for the huge industrial manufacture of its conventional products.

Fundamentals of Inorganic Glasses
Fundamentals of Inorganic Glasses

Author: Arun K. Varshneya

Publisher: Elsevier

Published: 2019-05-09

Total Pages: 756

ISBN-13: 0128162260

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Fundamentals of Inorganic Glasses, Third Edition, is a comprehensive reference on the field of glass science and engineering that covers numerous, significant advances. This new edition includes the most recent advances in glass physics and chemistry, also discussing groundbreaking applications of glassy materials. It is suitable for upper level glass science courses and professional glass scientists and engineers at industrial and government labs. Fundamental concepts, chapter-ending problem sets, an emphasis on key ideas, and timely notes on suggested readings are all included. The book provides the breadth required of a comprehensive reference, offering coverage of the composition, structure and properties of inorganic glasses. - Clearly develops fundamental concepts and the basics of glass science and glass chemistry - Provides a comprehensive discussion of the composition, structure and properties of inorganic glasses - Features a discussion of the emerging applications of glass, including applications in energy, environment, pharmaceuticals, and more - Concludes chapters with problem sets and suggested readings to facilitate self-study