Topological characterization of metallic glasses by neutron diffraction and RMC modeling

Abstract

TbFe 2D 3.8, TbNi 2D 2.4, CuZr 2 and NiZr 2 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 TbFe 2D 3.8 and TbNi 2D 2.4 metallic glasses. The Volonoi analysis of the structure of CuZr 2 and NiZr 2 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 NiZr 2 metallic glass. In contrast, the icosahedron-like polyhedra faces are preferred for constructing the structure of CuZr 2 metallic glass.