Atomistic Simulations of Glasses

<p><b>A complete reference&nbsp;to computer simulations of inorganic glass materials&nbsp;</b></p> <p>In&nbsp;<i>Atomistic Simulations of Glasses: Fundamentals and Applications</i>, a team of distinguished researchers&nbsp;and active practitioners&nbsp;delivers&nbsp;a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses.&nbsp;The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with&nbsp;structural&nbsp;analysis techniques&nbsp;and property calculation methods for the models of glass generated from these atomistic simulations,&nbsp;before moving on to practical examples of the application of atomistic simulations in the research of several glass systems.&nbsp;</p> <p>The authors describe&nbsp;simulations of&nbsp;silica, silicate, aluminosilicate, borosilicate,&nbsp;phosphate,&nbsp;halide&nbsp;and&nbsp;oxyhalide glasses&nbsp;with up-to-date information and explore the challenges faced by researchers when dealing with these systems.&nbsp;Both classical and ab initio methods are examined&nbsp;and comparison with experimental structural and property data provided.&nbsp;Simulations of glass surfaces and surface-water reactions are also covered.&nbsp;&nbsp;</p> <p><i>Atomistic Simulations of Glasses</i>&nbsp;includes multiple case studies&nbsp;and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for&nbsp;optical,&nbsp;electronic,&nbsp;architecture applications&nbsp;to&nbsp;high technology fields such as&nbsp;flat panel&nbsp;displays, nuclear waste disposal, and biomedicine. The book also includes:&nbsp;</p> <ul> <li>A thorough introduction to the fundamentals of atomistic simulations, including classical,&nbsp;ab initio,&nbsp;Reverse Monte Carlo&nbsp;simulation&nbsp;and topological constraint theory&nbsp;methods&nbsp;</li> <li>Important ingredients for simulations such as interatomic potential&nbsp;development,&nbsp;structural analysis methods,&nbsp;and property calculations are covered&nbsp;</li> <li>Comprehensive explorations of the applications of atomistic simulations in glass&nbsp;research, including the history of atomistic simulations of glasses&nbsp;&nbsp;</li> <li>Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses&nbsp;</li> <li>In-depth examinations of&nbsp;glass surfaces and&nbsp;silicate glass-water interactions&nbsp;&nbsp;</li> </ul> <p>Perfect for glass, ceramic,&nbsp;and materials scientists and engineers, as well as physical, inorganic, and computational chemists,&nbsp;<i>Atomistic Simulations of Glasses: Fundamentals and Applications</i>&nbsp;is also an ideal resource for condensed matter and&nbsp;solid-state&nbsp;physicists,&nbsp;mechanical and civil engineers, and those working with bioactive glasses.&nbsp;Graduate students, postdocs,&nbsp;senior undergraduate&nbsp;students,&nbsp;and&nbsp;others who intend to enter the field of simulations of glasses would also find the book highly valuable.&nbsp;&nbsp;</p> <p>&nbsp;</p>