Structural modeling of Pd–Si and Fe–Zr–B amorphous alloys based on the microphase separation model

Nanoscale Phase Separation in an Fe<SUB>70</SUB>Nb<SUB>10</SUB>B<SUB>20</SUB> Glass Studied by Advanced Electron Microscopy Techniques

“…5(b), the polyhedra with central Nb atoms have a larger coordination number compared with those of Fe-centered polyhedra (the sum of the index corresponds to the coordination number) as in the case of Zr-coordinated polyhedra in the Fe-Zr-B glass. 13,14) It is understood that the circumstance around Nb atoms is similar to that found in the Fe-Nb compounds (Laves-phases) with large coordination numbers. In Fig.…”

Internal clusters in crystalline phases related to Zr-based bulk amorphous alloys

“…5) are quite similar to the results calculated using the cluster models in this study, implying that the amorphous alloys Pd 81 Si 19 and Zr 70 Cu 30 may have similar clusters to those in the primary phases of oP-Pd 3 Si and tI-Zr 2 Cu in their local structure. Actually, this similarity has been proved by the results from extended X-ray absorption fine spectrum (EXAFS) for Zr 2 Cu and Pd 82 Si 18 amorphous alloys [28,29], which means that DOS curves based on cluster models of primary phases can also be used to predict the short range order of BAAs. It is well known that the DOS curves of amorphous phases and quasicrystals usually exhibit a minimum at the Fermi level [17,18].…”

Modeling the atomic structure of an amorphous Co25Nb75 alloy produced by mechanical alloying using an additive hard sphere model and RMC simulations

“…The algorithm of the standard RMC method are described elsewhere [16,17,20] and several applications are reported in the literature [5,[21][22][23][24][25][26][27][28][29][30]. To perform the simulations, we have considered the RMC program available on the Internet [18] and a cubic cell with 5000 atoms (1250 Co and 3750 Nb).…”