RMC-8(+1) Conference, Budapest

Session

Sa1

23 Sept 2023, 09:00

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

47. Exploring local atomic structure in multicomponent materials with X-ray absorption spectroscopy and reverse Monte Carlo simulations

Alexei Kuzmin (Institute of Solid State Physics, University of Latvia, Riga, Latvia)

23/09/2023, 09:00

X-ray absorption spectroscopy (XAS) is an element-selective structural technique that provides information about the local environment of a specific element. In multicomponent materials, such as complex solid solutions, medium- and high-entropy alloys, XAS enables independent probing of each element by selecting the X-ray photon energy corresponding to its absorption edge. Consequently, a...

85. Molecular RMC on Amorphous [(PhSn)4S6]

Benjamin Klee

23/09/2023, 09:40

In recent years [(PhSn)4S6] and other similar molecular amorphous materials have gathered some interest due to their ability to convert a low power infrared laser beam into a continuous spectrum in the visible region while maintaining the low divergence and direction of the incoming beam.[1] To explore the structural background of this effect a hybrid move molecular RMC approach was...

46. The influence of lattice anisotropy on the local dynamics in hexagonal titanium and zirconium metals

Vitalijs Dimitrijevs (Institute of Solid State Physics University of Latvia, EXAFS spectroscopy laboratory)

23/09/2023, 10:10

Thorough examination of the lattice dynamics of hexagonal close-packed titanium and zirconium was conducted in this study using the extended X-ray absorption fine structure (EXAFS) spectroscopy. The analysis of Ti and Zr K-edge EXAFS spectra, employing the reverse Monte Carlo method [1], facilitated the determination of mean-squared relative displacements (MSRDs) for Ti-Ti and Zr-Zr atom...