Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction
Pussi, Katariina; Louzguine-Luzgin, Dmitri; Nokelainen, Johannes; Barbiellini, Bernardo; Kothalawala, Veenavee; Ohara, Koji; Yamada, Hiroki; Bansil, Arun; Kamali, Saeed (2022-05-12)
Post-print / Final draft
Pussi, Katariina
Louzguine-Luzgin, Dmitri
Nokelainen, Johannes
Barbiellini, Bernardo
Kothalawala, Veenavee
Ohara, Koji
Yamada, Hiroki
Bansil, Arun
Kamali, Saeed
12.05.2022
Journal of Physics: Condensed Matter
34
IOP Publishing
School of Engineering Science
Julkaisun pysyvä osoite on
https://urn.fi/URN:NBN:fi-fe2022051635599
https://urn.fi/URN:NBN:fi-fe2022051635599
Tiivistelmä
Amorphous bulk metallic glasses with the composition Fe48Cr15Mo14C15B6Y2 have been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, catalytic performance, and soft ferromagnetism. Here, we apply a reverse Monte Carlo technique to unravel the atomic structure of these glasses. The pair-distribution functions for various atomic pairs are computed based on the high-energy x-ray diffraction data we have taken from an amorphous sample. Monte Carlo cycles are used to move the atomic positions until the model reproduces the experimental pair-distribution function. The resulting fitted model is consistent with our ab initio simulations of the metallic glass. Our study contributes to the understanding of functional properties of Fe-based bulk metallic glasses driven by disorder effects.
Lähdeviite
Pussi, K., Louzguine-Luzgin, D., Nokelainen, J., Barbiellini, B., Kothalawala, V., Ohara, K., Yamada, H., Bansil, A., Kamali, S. (2022). Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction. Journal of Physics: Condensed Matter, vol. 34. DOI: 10.1088/1361-648X/ac6a9a
Kokoelmat
- Tieteelliset julkaisut [1210]