scholarly journals First-principles Study on Formation of LPSO Structures for Ternary Alloys Revisited from Short-range Order

2019 ◽  
Vol 44 (4) ◽  
pp. 149-152
Author(s):  
Koretaka Yuge ◽  
Hisashi Miyazono ◽  
Ryohei Tanaka ◽  
Tetsuya Taikei ◽  
Kazuhito Takeuchi
Keyword(s):  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Ternary Alloys ◽  
First Principles Study

First-Principles Calculations of Heusler Phase Precursors in the Atomic Short-Range Order of Disordered BCC Ternary Alloys

1995 ◽  
Vol 408 ◽  
Author(s):  
Jeffrey D. Althoff ◽  
Duane D. Johnson
Keyword(s):  
Transition Temperature ◽  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Pair Correlation ◽  
Range Order ◽  
Ternary Alloys ◽  
First Principles Calculations ◽  
Effective Interactions ◽  
Special Points

AbstractWe apply our recently developed first-principles theory of atomic short-range order in disordered multicomponent alloys to CuAuZn2 and AgAuZn2, two alloys which display partially-ordered B2 phases as well as fully-ordered Heusler structures. The calculated Warren-Cowley pair correlation functions for both alloys peak at the special points 〈½ ½ ½〉 and 〈100〉, with the peak at 〈100〉 dominant. This is indicative of a tendency to B2 order at high temperatures, and a subsequent tendency to Heusler-type order at lower temperatures. An analysis in terms of effective interactions shows that the Au Zn interaction drives the 〈100〉 ordering tendency, while the Ag Au and Cu Au interactions contribute more to the 〈 ½ ½ ½〉ordering tendency - this effect is larger in CuAuZn2 and should lead to a slightly higher transition temperature for the B2 to Heusler transition in CuAuZn2 as compared to AgAuZn2.

Basic parameters for the short-range order of amorphous ternary alloys with applications to practical cases

1993 ◽  
Vol 28 (24) ◽  
pp. 6598-6604 ◽  
Author(s):  
J. Vázquez ◽  
M. Casas-Ruiz ◽  
R. A. Ligero ◽  
R. Jiménez-Garay
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Ternary Alloys ◽  
Basic Parameters

scholarly journals Magnetically driven short-range order can explain anomalous measurements in CrCoNi

2021 ◽  
Vol 118 (13) ◽  
pp. e2020540118
Author(s):  
Flynn Walsh ◽  
Mark Asta ◽  
Robert O. Ritchie
Keyword(s):  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Nearest Neighbor ◽  
Range Order ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Principal Element ◽  
The Impact ◽  
Magnetically Aligned

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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