Topological characterization of metallic glasses by neutron diffraction and RMC modeling

Toshiharu Fukunaga; Keiji Itoh; Toshiya Otomo; Kazuhiro Mori; Masaaki Sugiyama; Hidemi Kato; Masashi Hasegawa; Akihiko Hirata; Yoshihiko Hirotsu; Kiyoshi Aoki

doi:10.1016/j.physb.2006.05.061

Topological characterization of metallic glasses by neutron diffraction and RMC modeling

Toshiharu Fukunaga^*, Keiji Itoh, Toshiya Otomo, Kazuhiro Mori, Masaaki Sugiyama, Hidemi Kato, Masashi Hasegawa, Akihiko Hirata, Yoshihiko Hirotsu, Kiyoshi Aoki

^*Corresponding author for this work

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

12 Citations (Scopus)

Abstract

TbFe₂D_3.8, TbNi₂D_2.4, CuZr₂ and NiZr₂ metallic glasses have been studied to elucidate the structural characteristics by taking advantage of neutron and X-ray diffraction and using the reverse Monte Carlo (RMC) modeling based on the diffraction data. Topologically, about 98% of D atoms occupy tetrahedral sites formed by metal atoms for TbFe₂D_3.8 and TbNi₂D_2.4 metallic glasses. The Volonoi analysis of the structure of CuZr₂ and NiZr₂ metallic glasses was carried out to elucidate the relationship between the stability of glassy state and the atomic configuration. The prismatic-like polyhedra dominate in NiZr₂ metallic glass. In contrast, the icosahedron-like polyhedra faces are preferred for constructing the structure of CuZr₂ metallic glass.

Original language	English
Pages (from-to)	259-262
Number of pages	4
Journal	Physica B: Condensed Matter
Volume	385-386 I
DOIs	https://doi.org/10.1016/j.physb.2006.05.061
Publication status	Published - 2006 Nov 27
Externally published	Yes

Keywords

Metallic glass
Neutron diffraction
RMC modeling
Voronoi analysis

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1016/j.physb.2006.05.061

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@article{eac1464dcdc0448f832b150d98aae119,

title = "Topological characterization of metallic glasses by neutron diffraction and RMC modeling",

abstract = "TbFe2D3.8, TbNi2D2.4, CuZr2 and NiZr2 metallic glasses have been studied to elucidate the structural characteristics by taking advantage of neutron and X-ray diffraction and using the reverse Monte Carlo (RMC) modeling based on the diffraction data. Topologically, about 98% of D atoms occupy tetrahedral sites formed by metal atoms for TbFe2D3.8 and TbNi2D2.4 metallic glasses. The Volonoi analysis of the structure of CuZr2 and NiZr2 metallic glasses was carried out to elucidate the relationship between the stability of glassy state and the atomic configuration. The prismatic-like polyhedra dominate in NiZr2 metallic glass. In contrast, the icosahedron-like polyhedra faces are preferred for constructing the structure of CuZr2 metallic glass.",

keywords = "Metallic glass, Neutron diffraction, RMC modeling, Voronoi analysis",

author = "Toshiharu Fukunaga and Keiji Itoh and Toshiya Otomo and Kazuhiro Mori and Masaaki Sugiyama and Hidemi Kato and Masashi Hasegawa and Akihiko Hirata and Yoshihiko Hirotsu and Kiyoshi Aoki",

note = "Funding Information: This work was supported by a Grant-in-Aid for Scientific Research in Priority Area and Creative Scientific Research from the Ministry of Education, Science, Sports and Culture.",

year = "2006",

month = nov,

day = "27",

doi = "10.1016/j.physb.2006.05.061",

language = "English",

volume = "385-386 I",

pages = "259--262",

journal = "Physica B: Condensed Matter",

issn = "0921-4526",

publisher = "Elsevier",

}

TY - JOUR

T1 - Topological characterization of metallic glasses by neutron diffraction and RMC modeling

AU - Fukunaga, Toshiharu

AU - Itoh, Keiji

AU - Otomo, Toshiya

AU - Mori, Kazuhiro

AU - Sugiyama, Masaaki

AU - Kato, Hidemi

AU - Hasegawa, Masashi

AU - Hirata, Akihiko

AU - Hirotsu, Yoshihiko

AU - Aoki, Kiyoshi

N1 - Funding Information: This work was supported by a Grant-in-Aid for Scientific Research in Priority Area and Creative Scientific Research from the Ministry of Education, Science, Sports and Culture.

PY - 2006/11/27

Y1 - 2006/11/27

N2 - TbFe2D3.8, TbNi2D2.4, CuZr2 and NiZr2 metallic glasses have been studied to elucidate the structural characteristics by taking advantage of neutron and X-ray diffraction and using the reverse Monte Carlo (RMC) modeling based on the diffraction data. Topologically, about 98% of D atoms occupy tetrahedral sites formed by metal atoms for TbFe2D3.8 and TbNi2D2.4 metallic glasses. The Volonoi analysis of the structure of CuZr2 and NiZr2 metallic glasses was carried out to elucidate the relationship between the stability of glassy state and the atomic configuration. The prismatic-like polyhedra dominate in NiZr2 metallic glass. In contrast, the icosahedron-like polyhedra faces are preferred for constructing the structure of CuZr2 metallic glass.

AB - TbFe2D3.8, TbNi2D2.4, CuZr2 and NiZr2 metallic glasses have been studied to elucidate the structural characteristics by taking advantage of neutron and X-ray diffraction and using the reverse Monte Carlo (RMC) modeling based on the diffraction data. Topologically, about 98% of D atoms occupy tetrahedral sites formed by metal atoms for TbFe2D3.8 and TbNi2D2.4 metallic glasses. The Volonoi analysis of the structure of CuZr2 and NiZr2 metallic glasses was carried out to elucidate the relationship between the stability of glassy state and the atomic configuration. The prismatic-like polyhedra dominate in NiZr2 metallic glass. In contrast, the icosahedron-like polyhedra faces are preferred for constructing the structure of CuZr2 metallic glass.

KW - Metallic glass

KW - Neutron diffraction

KW - RMC modeling

KW - Voronoi analysis

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U2 - 10.1016/j.physb.2006.05.061

DO - 10.1016/j.physb.2006.05.061

M3 - Article

AN - SCOPUS:33751306579

SN - 0921-4526

VL - 385-386 I

SP - 259

EP - 262

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

ER -

Topological characterization of metallic glasses by neutron diffraction and RMC modeling

Abstract

Keywords

ASJC Scopus subject areas

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