Detailed structural analysis of amorphous Pd40Cu40P20: Comparison with the metallic glass Pd40Ni40P20 from the viewpoint of glass forming ability

Shinya Hosokawa, Jean François Bérar, Nathalie Boudet, Wolf Christian Pilgrim, László Pusztai, Satoshi Hiroi, Shinji Kohara, Hidemi Kato, Henry E. Fischer, Anita Zeidler

Research output: Contribution to journalArticlepeer-review

Abstract

To clarify the relationship between the glass-forming ability (GFA) and local atomic structure of Pd-based metallic glasses, the structures of an amorphous Pd40Cu40P20 (PCP) were investigated using the same methods as for Pd40Ni40P20 (PNP) metallic glass, i.e., by a combination of anomalous X-ray scattering, X-ray and neutron diffraction, and reverse Monte Carlo modeling. From the comparison between the results of PNP with an excellent GFA and the PCP with a worse GFA, important features characteristic to the GFA are found in the hyper-ordered structures. Firstly, the compositional inhomogeneity of Cu in PCP is larger than Ni in PNP. Secondly, a Voronoi tessellation reveals that icosahedral arrangements are found with considerable probability around the Ni atoms in PNP, while a less existence around the Cu atoms in PCP. Thirdly, a persistent homology (PH) analysis shows smaller intermediate-size Cu PH rings in PCP than Ni PH rings in PNP.

Original languageEnglish
Article number120536
JournalJournal of Non-Crystalline Solids
Early online date21 Nov 2020
DOIs
Publication statusE-pub ahead of print - 21 Nov 2020

Keywords

  • Anomalous X-ray scattering
  • Glass-forming ability
  • Hyper-ordered structures
  • Metallic glasses
  • Neutron diffraction
  • Reverse Monte Carlo modeling

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

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