Free volume distribution and structural inhomogeneity in Ni50V50 amorphous alloy

K. Itoh; Y. Yoshioka; E. R. Barney; A. C. Hannon

doi:10.1016/j.jallcom.2018.08.148

Free volume distribution and structural inhomogeneity in Ni₅₀V₅₀ amorphous alloy

K. Itoh, Y. Yoshioka, E. R. Barney, A. C. Hannon

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

The structure of Ni₅₀V₅₀ amorphous alloy was investigated by using neutron, X-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC configuration was decomposed into polyhedral holes whose faces are all triangles consisting of chemical bonds. Free volumes in the respective polyhedral holes were evaluated with reference to the packing efficiency of Ni-V metastable BCC phase. The tetrahedral holes, which account for about 70% of the whole space, are regarded as densely packed units because the average packing efficiency of them is approximately equal to that of the corresponding crystal phase. On the other hand, various types of polyhedral holes, which have a certain free volume, are observed and some of them are connected with each other. The densely packed coordination polyhedra consisting only of tetrahedral holes tend to be clustered.

Original language	English
Pages (from-to)	350-355
Number of pages	6
Journal	Journal of Alloys and Compounds
Volume	770
DOIs	https://doi.org/10.1016/j.jallcom.2018.08.148
Publication status	Published - Jan 5 2019

Keywords

Amorphous materials
Atomic scale structure
Neutron diffraction
X-ray diffraction

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

Access to Document

10.1016/j.jallcom.2018.08.148

Cite this

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title = "Free volume distribution and structural inhomogeneity in Ni50V50 amorphous alloy",

abstract = "The structure of Ni50V50 amorphous alloy was investigated by using neutron, X-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC configuration was decomposed into polyhedral holes whose faces are all triangles consisting of chemical bonds. Free volumes in the respective polyhedral holes were evaluated with reference to the packing efficiency of Ni-V metastable BCC phase. The tetrahedral holes, which account for about 70% of the whole space, are regarded as densely packed units because the average packing efficiency of them is approximately equal to that of the corresponding crystal phase. On the other hand, various types of polyhedral holes, which have a certain free volume, are observed and some of them are connected with each other. The densely packed coordination polyhedra consisting only of tetrahedral holes tend to be clustered.",

keywords = "Amorphous materials, Atomic scale structure, Neutron diffraction, X-ray diffraction",

author = "K. Itoh and Y. Yoshioka and Barney, {E. R.} and Hannon, {A. C.}",

note = "Funding Information: Neutron diffraction experiment at the ISIS pulsed neutron source was supported by a beamtime allocation from the Science and Technology Facilities Council . The synchrotron X-ray diffraction experiment was performed at the BL04B2 of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI). This work was supported by JSPS KAKENHI Grant Numbers JP 23560836 . Funding Information: Neutron diffraction experiment at the ISIS pulsed neutron source was supported by a beamtime allocation from the Science and Technology Facilities Council. The synchrotron X-ray diffraction experiment was performed at the BL04B2 of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI). This work was supported by JSPS KAKENHI Grant Numbers JP 23560836. Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

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AU - Itoh, K.

AU - Yoshioka, Y.

AU - Barney, E. R.

AU - Hannon, A. C.

N1 - Funding Information: Neutron diffraction experiment at the ISIS pulsed neutron source was supported by a beamtime allocation from the Science and Technology Facilities Council . The synchrotron X-ray diffraction experiment was performed at the BL04B2 of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI). This work was supported by JSPS KAKENHI Grant Numbers JP 23560836 . Funding Information: Neutron diffraction experiment at the ISIS pulsed neutron source was supported by a beamtime allocation from the Science and Technology Facilities Council. The synchrotron X-ray diffraction experiment was performed at the BL04B2 of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI). This work was supported by JSPS KAKENHI Grant Numbers JP 23560836. Publisher Copyright: © 2018 Elsevier B.V.

PY - 2019/1/5

Y1 - 2019/1/5

N2 - The structure of Ni50V50 amorphous alloy was investigated by using neutron, X-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC configuration was decomposed into polyhedral holes whose faces are all triangles consisting of chemical bonds. Free volumes in the respective polyhedral holes were evaluated with reference to the packing efficiency of Ni-V metastable BCC phase. The tetrahedral holes, which account for about 70% of the whole space, are regarded as densely packed units because the average packing efficiency of them is approximately equal to that of the corresponding crystal phase. On the other hand, various types of polyhedral holes, which have a certain free volume, are observed and some of them are connected with each other. The densely packed coordination polyhedra consisting only of tetrahedral holes tend to be clustered.

AB - The structure of Ni50V50 amorphous alloy was investigated by using neutron, X-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC configuration was decomposed into polyhedral holes whose faces are all triangles consisting of chemical bonds. Free volumes in the respective polyhedral holes were evaluated with reference to the packing efficiency of Ni-V metastable BCC phase. The tetrahedral holes, which account for about 70% of the whole space, are regarded as densely packed units because the average packing efficiency of them is approximately equal to that of the corresponding crystal phase. On the other hand, various types of polyhedral holes, which have a certain free volume, are observed and some of them are connected with each other. The densely packed coordination polyhedra consisting only of tetrahedral holes tend to be clustered.

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