vbid/9781118940242

Description

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.��

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Typham this is the title: Atomistic Simulations of Glasses Fundamentals and Applications 1st Edition