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Updated: Mar 28, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Site preference and lattice relaxation around 4d and 5d refractory elements in Ni3Al
Ana Umićević1, Heinz-Eberhard Mahnke2, Jelena Belošević-Čavor1
1Vinča Institute of Nuclear Sciences, University of Belgrade, PO Box 522, Belgrade 11001, Serbia.
Abstract:
X-ray absorption spectroscopy is employed to investigate site preference and lattice relaxation around Mo, Ru, Hf, W and Re dopants in Ni3Al. The site occupation preference and the measured distances between the refractory elements as dopants and the nearest host atoms are compared with the results of ab initio calculations within the density functional theory. Combined experimental and theoretical results indicate that Mo, Hf, W and Re atoms reside on the Al sublattice in Ni3Al, while Ru atoms occupy the Ni sublattice. A more pronounced lattice relaxation was detected in the case of Hf and Ru doping, with a strong outward relaxation of the nearest Ni and Al atoms.
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