Atomistic Modeling and Simulations of Chalcogenide Glasses

Applied Physics, School of Applied Sciences, RMIT University, Melbourne, 

Atomistic structural models generated by numerical modeling and simulation offer insights and information that are not always accessible to experimental techniques. While a wide range of modeling techniques exists, the common resulting outputs are the atomic positions representing the three-dimensional distribution of atoms from which structural and electronic information can be extracted. 

Amorphous Chalcogenides Advances and Applications Edited by Rongping Wang 

In this chapter we briefly review some of the more commonly used modeling techniques that have been applied to produce atomistic models of disordered glasses, and discuss the various difficulties encountered in obtaining realistic structures. While the focus is on application to chalcogenides, the methodologies apply broadly to the modeling of many amorphous materials. 

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