First-principles theory of the temperature and compositional dependence of atomic short-range order in disordered Cu-Pd alloys

2001 ◽  
Vol 65 (6) ◽  
Author(s):  
R. V. Chepulskii ◽  
J. B. Staunton ◽  
Ezio Bruno ◽  
B. Ginatempo ◽  
D. D. Johnson
1999 ◽  
Vol 577 ◽  
Author(s):  
M. Kopcewicz ◽  
A. Grabias ◽  
B. Idzikowski

ABSTRACTThe radio-frequency collapse of the magnetic hyperfine structure in the Mössbauer spectra is employed to study directly the short range order in amorphous Fe-M-B-Cu (M: Zr, Ti, Ta, Nb, Mo) alloys via the electric quadrupole hyperfine interaction. The shape of the quadrupole splitting distributions obtained from the rf collapsed spectra strongly suggests the existence of two short range orders with a high and low local content of iron. The decrease of boron content in FeZrB alloys leads to a more symmetric local structure experienced by Fe atoms.


2021 ◽  
Vol 118 (13) ◽  
pp. e2020540118
Author(s):  
Flynn Walsh ◽  
Mark Asta ◽  
Robert O. Ritchie

The presence, nature, and impact of chemical short-range order in the multi-principal element alloy CrCoNi are all topics of current interest and debate. First-principles calculations reveal that its origins are fundamentally magnetic, involving repulsion between like-spin Co–Cr and Cr–Cr pairs that is complemented by the formation of a magnetically aligned sublattice of second-nearest-neighbor Cr atoms. Ordering models following these principles are found to predict otherwise anomalous experimental measurements concerning both magnetization and atomic volumes across a range of compositions. In addition to demonstrating the impact of magnetic interactions and resulting chemical rearrangement, the possible explanation of experiments would imply that short-range order of this type is far more prevalent than previously realized.


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