Artículos de revistas
Modeling the atomic structure of an amorphous Ni46Ti54 alloy produced by mechanical alloying using RMC simulations
Registro en:
Chemical Physics Letters. Elsevier Science Bv, v. 430, n. 41699, n. 108, n. 112, 2006.
0009-2614
WOS:000241446900022
10.1016/j.cplett.2006.08.105
Autor
Gasperini, AAM
Machado, KD
de Lima, JC
Grandi, TA
Institución
Resumen
The local atomic order of an amorphous Ni46Ti54 alloy produced by Mechanical Alloying was studied by X-ray diffraction and modeled through reverse Monte Carlo simulations of its X-ray structure factor. From the simulations the partial pair distribution functions G(ij)(r) and partial structure factors S-ij(K) were determined and, from these functions, coordination numbers and interatomic distances for the first neighbors were calculated. The alloy shows a chemical short-range order and a preference for unlike pairs. The bond-angle distribution functions Theta(i-j-k)(cos theta) indicated that the local environment about Ni and Ti atoms are almost the same. (c) 2006 Elsevier B.V. All rights reserved. 430 41699 108 112