TY - JOUR
T1 - Fine structure of zr80Pt20 amorphous alloy determined from anomalous X-ray scattering (AXS) data by applying reverse monte-carlo (RMC) simulation method
AU - Kawamata, T.
AU - Muto, T.
AU - Sugiyama, K.
N1 - Funding Information:
We are also grateful to Professor Y. Waseda, Tohoku University for his valuable comments and discussions. A part of this work was supported by the Japan Society for the Promotion of Science (JSPS) KAKENHI Grant Numbers JP16H04210 and JP19K15653.
PY - 2021/1/1
Y1 - 2021/1/1
N2 - The fine structure of a Zr80Pt20 amorphous alloy was evaluated by anomalous X-ray scattering (AXS) coupled with reverse Monte Carlo (RMC) simulation. Featureless short-range ordered structures were preferentially formed by the Zr component, similar to those described by dense random packing (DRP), while the Pt atoms adopted a somewhat different structure. The Pt atoms adopted Zr-rich coordination and an icosahedral local atomic arrangement, in unique chemical short-range ordering (CSRO) as well as topological short-range ordering (TSRO). The present AXS-RMC analysis also suggested that the pre-peak signal at 17 nm11 in the X-ray diffraction profile was largely attributed to the correlation between the PtPt pair with a separation of approximately 0.40.5 nm. The geometrical and chemical features of the common neighbors of the middle-range PtPt pairs indicate the unique CSRO and TSRO, where both chemical and density fluctuations were observed in two distinct regions: a Zr-rich region with high packing density and a Pt-rich region with low packing density.
AB - The fine structure of a Zr80Pt20 amorphous alloy was evaluated by anomalous X-ray scattering (AXS) coupled with reverse Monte Carlo (RMC) simulation. Featureless short-range ordered structures were preferentially formed by the Zr component, similar to those described by dense random packing (DRP), while the Pt atoms adopted a somewhat different structure. The Pt atoms adopted Zr-rich coordination and an icosahedral local atomic arrangement, in unique chemical short-range ordering (CSRO) as well as topological short-range ordering (TSRO). The present AXS-RMC analysis also suggested that the pre-peak signal at 17 nm11 in the X-ray diffraction profile was largely attributed to the correlation between the PtPt pair with a separation of approximately 0.40.5 nm. The geometrical and chemical features of the common neighbors of the middle-range PtPt pairs indicate the unique CSRO and TSRO, where both chemical and density fluctuations were observed in two distinct regions: a Zr-rich region with high packing density and a Pt-rich region with low packing density.
KW - Amorphous alloy
KW - Anomalous X-ray scattering
KW - Medium range ordering
KW - Metallic glass
KW - Reverse Monte-Carlo simulation
KW - Structural study
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U2 - 10.2320/matertrans.MT-M2020246
DO - 10.2320/matertrans.MT-M2020246
M3 - Article
AN - SCOPUS:85098551830
VL - 62
SP - 20
EP - 26
JO - Materials Transactions
JF - Materials Transactions
SN - 1345-9678
IS - 1
ER -