RMC-8(+1) Conference, Budapest

Session

Th3

21 Sept 2023, 14:00

room 103 (Central European University, CEU Nador 15 Campus (Budapest, Hungary))

99. RMCProfile: Past, Present and Future

Matt Tucker (Oak Ridge National Lab')

21/09/2023, 14:00

Talks

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...

54. Reverse Monte Carlo modeling of ZrO2-doped Li${}_2$O–SiO${}_2$-based multi-component glasses using anomalous X-ray and neutron scattering data

Koji Kimura (Nagoya Institute of Technology, National Institute for Materials Science, Japan Synchrotron Radiation Research Institute)

21/09/2023, 14:40

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...

48. RMCProfile7 – a big box Pair Distribution Function modelling

Wojciech Slawinski (University of Warsaw)

21/09/2023, 15:10

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....