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

doi:10.1016/j.jnoncrysol.2020.120536

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 journal › Article › peer-review

6 Citations (SciVal)

93 Downloads (Pure)

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 language	English
Article number	120536
Journal	Journal of Non-Crystalline Solids
Volume	555
Early online date	21 Nov 2020
DOIs	https://doi.org/10.1016/j.jnoncrysol.2020.120536
Publication status	Published - 1 Mar 2021

Bibliographical note

Funding Information:
The authors acknowledge Prof. T. Usuki and Ms. A. H?hle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6?05?778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society?EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship.

Funding Information:
The authors acknowledge Prof. T. Usuki and Ms. A. Höhle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6–05–778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society–EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship.

Funding

The authors acknowledge Prof. T. Usuki and Ms. A. Höhle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6–05–778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society–EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship.

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

Access to Document

10.1016/j.jnoncrysol.2020.120536

NOC-D-20-01349R1_accepted.PDFAccepted author manuscript, 1.89 MBLicence: CC BY-NC-ND

Cite this

Hosokawa, S., Bérar, J. F., Boudet, N., Pilgrim, W. C., Pusztai, L., Hiroi, S., Kohara, S., Kato, H., Fischer, H. E., & Zeidler, A. (2021). Detailed structural analysis of amorphous Pd₄₀Cu₄₀P₂₀: Comparison with the metallic glass Pd₄₀Ni₄₀P₂₀ from the viewpoint of glass forming ability. Journal of Non-Crystalline Solids, 555, Article 120536. https://doi.org/10.1016/j.jnoncrysol.2020.120536

Hosokawa, S, Bérar, JF, Boudet, N, Pilgrim, WC, Pusztai, L, Hiroi, S, Kohara, S, Kato, H, Fischer, HE & Zeidler, A 2021, 'Detailed structural analysis of amorphous Pd₄₀Cu₄₀P₂₀: Comparison with the metallic glass Pd₄₀Ni₄₀P₂₀ from the viewpoint of glass forming ability', Journal of Non-Crystalline Solids, vol. 555, 120536. https://doi.org/10.1016/j.jnoncrysol.2020.120536

@article{bbecdb2e3ffd426cb474c959868e48a9,

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

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.",

keywords = "Anomalous X-ray scattering, Glass-forming ability, Hyper-ordered structures, Metallic glasses, Neutron diffraction, Reverse Monte Carlo modeling",

author = "Shinya Hosokawa and B{\'e}rar, {Jean Fran{\c c}ois} and Nathalie Boudet and Pilgrim, {Wolf Christian} and L{\'a}szl{\'o} Pusztai and Satoshi Hiroi and Shinji Kohara and Hidemi Kato and Fischer, {Henry E.} and Anita Zeidler",

note = "Funding Information: The authors acknowledge Prof. T. Usuki and Ms. A. H?hle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6?05?778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society?EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship. Funding Information: The authors acknowledge Prof. T. Usuki and Ms. A. H{\"o}hle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6–05–778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society–EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship. ",

year = "2021",

month = mar,

day = "1",

doi = "10.1016/j.jnoncrysol.2020.120536",

language = "English",

volume = "555",

journal = "Journal of Non-Crystalline Solids",

issn = "0022-3093",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Detailed structural analysis of amorphous Pd40Cu40P20

T2 - Comparison with the metallic glass Pd40Ni40P20 from the viewpoint of glass forming ability

AU - Hosokawa, Shinya

AU - Bérar, Jean François

AU - Boudet, Nathalie

AU - Pilgrim, Wolf Christian

AU - Pusztai, László

AU - Hiroi, Satoshi

AU - Kohara, Shinji

AU - Kato, Hidemi

AU - Fischer, Henry E.

AU - Zeidler, Anita

N1 - Funding Information: The authors acknowledge Prof. T. Usuki and Ms. A. H?hle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6?05?778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society?EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship. Funding Information: The authors acknowledge Prof. T. Usuki and Ms. A. Höhle, and Dr. D. Szubrin for the support of AXS and ND experiments, respectively. This work was performed under the inter-university cooperative research program of the Advanced Research Center of Metallic Glasses, Institute for Materials Research, Tohoku University (Project Nos. 11G0005 and 12G0022). The AXS experiments were performed at the beamline BM02 in the ESRF (Proposal Nos. ME1002, HD162, and HD426), and the neutron scattering measurements were carried out at ILL using the diffractometer D4 (Proposal No. 6–05–778). This work was supported by JSPS Grant-in-Aid for Scientific Research (C) (No. 22540403). AZ is supported by a Royal Society–EPSRC Dorothy Hodgkin Research Fellowship, and thanks the IROAST, Kumamoto University for a visiting professorship.

PY - 2021/3/1

Y1 - 2021/3/1

N2 - 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.

AB - 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.

KW - Anomalous X-ray scattering

KW - Glass-forming ability

KW - Hyper-ordered structures

KW - Metallic glasses

KW - Neutron diffraction

KW - Reverse Monte Carlo modeling

UR - http://www.scopus.com/inward/record.url?scp=85096567638&partnerID=8YFLogxK

U2 - 10.1016/j.jnoncrysol.2020.120536

DO - 10.1016/j.jnoncrysol.2020.120536

M3 - Article

AN - SCOPUS:85096567638

SN - 0022-3093

VL - 555

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

M1 - 120536

ER -