1304.4604 (João Cardoso de Lima et al.)

Modeling the amorphous structure of a mechanically alloyed Ti50Ni25Cu25
alloy using anomalous wide-angle x-ray scattering and reverse Monte Carlo
simulations    [PDF]

João Cardoso de Lima, Claudio Michel Poffo, Sergio Michielon de Souza, Kleber Daum Machado, Daniela Menegon Trichês, Tarciso Antonio Grandi, Ronaldo Sergio de Biasi

An amorphous Ti50Ni25Cu25 alloy was produced by 19 h of mechanical alloying. Anomalous wide angle x-ray scattering data were collected at six energies and six total scattering factors were obtained. By considering the data collected at two energies close to the Ni and Cu K edges, two differential anomalous scattering factors around the Ni and Cu atoms were obtained, showing the chemical environments around these atoms are different. The eight factors were used as input data to the reverse Monte Carlo method used to compute the partial structure factors STi-Ti(K), STi-Cu(K), STi-Ni(K), SCu-Cu(K), SCu-Ni(K) and SNi-Ni(K). From their Fourier transformation, the partial pair distribution functions GTi-Ti(r), GTi-Cu(r), GTi-Ni(r), GCu-Cu(r), GCu-Ni(r) and GNi-Ni(r) were obtained, and the coordination numbers and interatomic atomic distances for the first neighbors were determined.

View original: http://arxiv.org/abs/1304.4604