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Formation of structural-phase state of Ti–Al materials with Zr-additives obtained by hydride technology
https://doi.org/10.22349/1994-6716-2024-119-3-112-121
Abstract
The structural and phase composition of TiZr50, AlZr50, TiAl49Zr2 composite materials obtained by the hydride technology was investigated. A model three-component phase diagram was constructed for Ti–Al–Zr at a temperature of 1150°C. The structural state of TiAl49Zr2 alloys was predicted based on reference lattices (USPEX code with VASP interface), quantum-chemical calculations of the energy of TiAl49Zr2 were carried out in the CASTEP code. Solid solutions dominate in TiAl49Zr2, in the composition of which the main elements are predominant: Al10–Ti9Al23–Ti8. Zr atoms can be introduced into the interstitial sites [– 0.257 0.042 0.2545] (St–Zr–27), [0.0053–0.0120–0.0765] (St–Zr–143), [–0.3251–0.3983 0.4880] (St–Zr– 75). The introduction of Zr into the specified lattice sites does not violate the stabilizing effect in the TiAl49Zr2 systems. All reference lattices are stable. In the TiAl49Zr2 alloy, the main phases are Al10Ti9Zr, Al23Ti8Zr, the contributions of which to the theoretical intensity are 78.57 and 21.43%. In the AlZr50 sample, the phases ZrAl, Zr2Al3, ZrAl2.
Supporting agencies: The work was carried out with the financial support of the Ministry of Education and Science of the Russian Federation within the framework of state assignment No FSWM-2020-0028, the Development Program of Tomsk State University (Priority-2030).
About the Authors
N. I. Karakchieva
National Research Tomsk State University; Federal State Budgetary Educational Institution of Higher Education “Mari State University”
Russian Federation
Russian Federation
Cand. Sc. (Chem)
36 Lenin Ave, 634050 Tomsk
1 Lenin Sq, 424000 Yoshkar-Ola, Mari El Republic
Yu. A. Abzaev
Tomsk State University of Architecture and Civil Engineering”
Russian Federation
Russian Federation
Dr Sc. (Phys-Math)
2 Solyanaya Square, 634003 Tomsk
I. V. Amelichkin
National Research Tomsk State University
Russian Federation
Russian Federation
36 Lenin Ave, 634050 Tomsk
I. A. Zhukov
National Research Tomsk State University
Russian Federation
Russian Federation
Dr Sc. (Eng)
36 Lenin Ave, 634050 Tomsk
A. S. Knyazev
National Research Tomsk State University
Russian Federation
Russian Federation
Dr Sc. (Chem)
36 Lenin Ave, 634050 Tomsk
V. I. Sachkov
National Research Tomsk State University
Russian Federation
Russian Federation
Dr Sc. (Chem)
36 Lenin Ave, 634050 Tomsk
I. A. Kurzina
National Research Tomsk State University
Russian Federation
Russian Federation
Dr. Sc. (Phys-Math)
36 Lenin Ave, 634050 Tomsk
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Review
For citations:
Karakchieva N.I., Abzaev Yu.A., Amelichkin I.V., Zhukov I.A., Knyazev A.S., Sachkov V.I., Kurzina I.A. Formation of structural-phase state of Ti–Al materials with Zr-additives obtained by hydride technology. Voprosy Materialovedeniya. 2024;(3(119)):112-121. (In Russ.) https://doi.org/10.22349/1994-6716-2024-119-3-112-121
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