The Structural Phase Diagrams of Fe-Y (Y = Ga, Ge, Al) Alloys


The Structural Phase Diagrams of Fe-Y (Y = Ga, Ge, Al) Alloys

Mariya V. Matyunina, Mikhail A. Zagrebin, Vladimir V. Sokolovskiy, Vasiliy D. Buchelnikov

Abstract. This work presents a theoretical study of structural and magnetic properties from first-principles calculations for binary Fe100–xYx type alloys (Y = Al, Ga, Ge) in concentration range 18.75 ≤ x ≤ 31.25 at.%. It is shown that as chemical disorder increases, the lattice parameters are found to increase as opposed to the magnetic moment behavior as a function of Al, Ga, Ge content for all investigated phases of binary Fe-Y type alloys. The phase diagrams obtained by comparing the computed total energies between all phases studied are in agreement with the experimental results.

Ab Initio Calculations, Phase Transformations, Phase Diagram, Fe-Ga, Fe-Al, Fe-Ge

Published online 11/15/2018, 5 pages
Copyright © 2018 by the author(s)
Published under license by Materials Research Forum LLC., Millersville PA, USA

Citation: Mariya V. Matyunina, Mikhail A. Zagrebin, Vladimir V. Sokolovskiy, Vasiliy D. Buchelnikov, ‘The Structural Phase Diagrams of Fe-Y (Y = Ga, Ge, Al) Alloys’, Materials Research Proceedings, Vol. 9, pp 162-166, 2018


The article was published as article 31 of the book Shape Memory Alloys

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