Download Atomistic Simulations of Glasses: Fundamentals and Applications
Atomistic Simulations of Glasses: Fundamentals and Applications book pdf download. 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.
- 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.
eBook details
- Author (s): Jincheng Du, Alastair N. Cormack
- Publication year: 2022
- Publisher: Wiley-American Ceramic Society
- Language: English
- ISBN: 1118939069, 9781118939062, 9781118940235, 9781118940242
- Pages: 554
- Book format: PDF
- File size: 11 MB
