DESIGN OF NEW GLASS STRUCTURE AND PROPERTIES BY MOLECULAR DYNAMICS METHOD

Abstract

Glasses have the potential to be utilized as new optical devices and materials such as optical fiber glass, laser glass, hole-burning device and so forth. Hence, the knowledge of property and structure in glass is important not only in interpreting their physical properties but also designing a new type of glass. For this purpose, the computer experiments have been useful. Especially, among some computer simulations, the molecular dynamics (MD) method has become one of the most powerful techniques with which to study the glass as the quenching state of melt, since the glassified procedure from the melt like normal laboratory procedure can be involved in the computer simulation. Furthermore, by using the MD method, it has become possible that an information about the individual ion-pair configurations in glass structure and various properties is obtained simultaneously. From this point of view, the MD method was used to study the structure and properties of various halide glasses and oxide glasses.