Many of the useful materials that make modern life possible are crystalline. Quartz keeps our watches on time, perovskites are widely used in consumer electronics and solid oxide fuel cells may help to power the future.
The importance of local structure and disorder in crystalline materials is increasingly being recognised as a key property of many functional materials. From negative...
Molecular dynamics–reverse Monte Carlo (MD–RMC) method was applied to ZrO$_2$-doped Li$_2$O–SiO$_2$-based multi-component glass, a mother material for high-strength glass ceramics, using anomalous X-ray and neutron scattering data in order to construct a structural model of this glass. Since anomalous X-ray scattering data provide local structural information around Zr, reliable structural...
Nowadays, scientists have to work on more and more complicated materials. Description of crystal structures in terms of average structure as obtained from Bragg diffraction data analysis is no longer enough to understand material properties. Pair Distraction Function (PDF) is its natural extension and allows us to look deeper into the real (= both local and average) structure of materials....
