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Article Dans Une Revue Physical Review B Année : 2019

Partial structure investigation of the traditional bulk metallic glass Pd40Ni40P20

Résumé

Local structures of Pd 40 Ni 40 P 20 bulk metallic glass were investigated by combining anomalous x-ray scattering close to the Pd and Ni K absorption edges, x-ray diffraction, neutron diffraction, and reverse Monte Carlo modeling, from which partial structure factors S i j (Q) and partial pair distribution functions g i j (r) as well as threedimensional atomic configurations were carefully obtained around the constituent elements. A disagreement is found in the local structures with an ab initio molecular dynamics simulation by Guan et al., i.e., the existence of the P-P nearest-neighboring configurations is clarified in the present experimental result. From the Voronoi tessellation analysis, a preference of the pure icosahedral configurations is observed around the Ni atoms, whereas the local configurations around the Pd and P atoms are rather distorted icosahedra. A persistent homology analysis was carried out to identify meaningful shape characteristics of the intermediate-range atomic configuration of large rings.
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hal-04137637 , version 1 (22-06-2023)

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Shinya Hosokawa, Jean-François Bérar, Nathalie Boudet, Wolf-Christian Pilgrim, László Pusztai, et al.. Partial structure investigation of the traditional bulk metallic glass Pd40Ni40P20. Physical Review B, 2019, 100 (5), pp.054204. ⟨10.1103/physrevb.100.054204⟩. ⟨hal-04137637⟩

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