Atomistic simulations of glasses : fundamentals and applications
by
 
Du, Jincheng, editor.

Title
Atomistic simulations of glasses : fundamentals and applications

Author
Du, Jincheng, editor.

ISBN
9781118939079

Edition
First edition.

Physical Description
1 online resource

General Note
"Published simultaneously in Canada."
 
"Written by the leading experts and active practitioners from across the world, this book provides a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. After providing a concise overview of both classical, first principles, Reverse Monte Carlo and other simulation methods and analysis techniques, the second part of the book focuses on practical examples of the application of atomistic simulations in the research of different glass systems: silica, silicate, aluminosilicate, borosilicate, chalcogenide and halide glasses. Up-to-date information is provided on simulations (both classical and ab initio methods) of these glass systems, and current challenges facing these systems are discussed"--Provided by publisher

Abstract
This book 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.

Local Note
John Wiley and Sons

Subject Term
Glass -- Analysis -- Mathematics.
 
Glass -- Mathematical models.
 
Chemical structure.
 
Molecules -- Computer simulation.
 
Molecular dynamics -- Data processing.
 
Verre -- Modèles mathématiques.
 
Structure chimique.
 
Molécules -- Simulation par ordinateur.
 
Dynamique moléculaire -- Informatique.
 
Verre -- Analyse -- Mathématiques.
 
Chemical structure
 
Glass -- Mathematical models
 
Molecular dynamics -- Data processing

Added Author
Du, Jincheng,
 
Cormack, Alastair,

Electronic Access
https://onlinelibrary.wiley.com/doi/book/10.1002/9781118939079


LibraryMaterial TypeItem BarcodeShelf Number[[missing key: search.ChildField.HOLDING]]Status
Online LibraryE-Book597480-1001QD139 .G5 A86 2022 EBWiley E-Kitap Koleksiyonu