TY - JOUR
T1 - Voronoi analysis of the structure of Cu-Zr and Ni-Zr metallic glasses
AU - Fukunaga, T.
AU - Itoh, K.
AU - Otomo, T.
AU - Mori, K.
AU - Sugiyama, M.
AU - Kato, H.
AU - Hasegawa, M.
AU - Hirata, A.
AU - Hirotsu, Y.
AU - Hannon, A. C.
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 - 2006/8
Y1 - 2006/8
N2 - The structures of Cu-Zr and Ni-Zr metallic glasses have been studied by neutron diffraction and Reverse Monte Carlo (RMC) modeling. A pre-peak at Q∼17 nm-1 was observed in the structure factor, S(Q), of Ni-Zr metallic glasses, and this is associated with the Ni-Ni partial structure factor was well reproduced by the RMC modeling. An analysis of Voronoi polyhedra in the RMC simulations was used to characterise the different atomic configurations around Zr, Ni and Cu atoms. The Zr environments are very similar in the two systems, but there are marked differences between the polyhedra around Ni and Cu atoms. The polyhedra around Ni atoms are dominated by trigonal prismatic-like, Archimedian antiprismatic-like, and similar polyhedra, with smaller total coordination numbers less than 10. In contrast, icosahedron-like polyhedra with total coordination numbers in excess of 11 are preferred for Cu.
AB - The structures of Cu-Zr and Ni-Zr metallic glasses have been studied by neutron diffraction and Reverse Monte Carlo (RMC) modeling. A pre-peak at Q∼17 nm-1 was observed in the structure factor, S(Q), of Ni-Zr metallic glasses, and this is associated with the Ni-Ni partial structure factor was well reproduced by the RMC modeling. An analysis of Voronoi polyhedra in the RMC simulations was used to characterise the different atomic configurations around Zr, Ni and Cu atoms. The Zr environments are very similar in the two systems, but there are marked differences between the polyhedra around Ni and Cu atoms. The polyhedra around Ni atoms are dominated by trigonal prismatic-like, Archimedian antiprismatic-like, and similar polyhedra, with smaller total coordination numbers less than 10. In contrast, icosahedron-like polyhedra with total coordination numbers in excess of 11 are preferred for Cu.
KW - B. Glasses, metallic
KW - C. Rapid solidification processing
KW - E. Simulations, Monte Carlo
KW - F. Diffraction
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U2 - 10.1016/j.intermet.2006.01.006
DO - 10.1016/j.intermet.2006.01.006
M3 - Article
AN - SCOPUS:33646123995
SN - 0966-9795
VL - 14
SP - 893
EP - 897
JO - Intermetallics
JF - Intermetallics
IS - 8-9
ER -