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

Research output: Contribution to journalArticle

12 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)259-262
Number of pages4
JournalPhysica B: Condensed Matter
Volume385-386 I
Publication statusPublished - Nov 27 2006
Externally publishedYes



  • Metallic glass
  • Neutron diffraction
  • RMC modeling
  • Voronoi analysis

ASJC Scopus subject areas

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

Cite this

Fukunaga, T., Itoh, K., Otomo, T., Mori, K., Sugiyama, M., Kato, H., Hasegawa, M., Hirata, A., Hirotsu, Y., & Aoki, K. (2006). Topological characterization of metallic glasses by neutron diffraction and RMC modeling. Physica B: Condensed Matter, 385-386 I, 259-262.