Maximising the structural information that can be extracted from a diffraction experiment on a disordered system such as a glass is a long standing challenge. In this seminar I will demonstrate techniques that use a combination of a classical simulation method and experimental data to allow us to move beyond the traditional and limited information of the spherically averaged total pair distribution function. These new refinement methods allow us to build 3-dimensional models of the structure of complex glasses that are consistent with the available experimental constraints. Such models can then be interpreted to the level of partial pair distribution functions, spatial density functions and bond angle distribution functions. The results highlight the importance of extending our understanding of glass structure beyond the traditionally quoted statistical mean values. Examples of silicate glasses, SiO₂ and NaFeSi₂O₆ [1] will be used to highlight the possibilities for neutron diffraction, X-ray diffraction and the combination of the two.

[1] "Determination of Fe³⁺ sites in a NaFeSi₂O₆ glass by neutron diffraction with isotopic substitution coupled with numerical simulation", C.Weigel, L.Cormier, L.Galoisy, G.Calas, D.T.Bowron and B.Beuneu , Appl. Phys. Lett. 89, 141911 (2006)

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