There is an extensive literature on atomistic modeling of the structure and properties of binary alloys, but for multicom-ponent alloys, despite their widespread use, much less work has been done. The widely used molecular dynamics method analyzes time intervals of the order of a nanosecond and therefore it is not applicable to the analysis of such slow processes as diffusion and does not allow one to model order-disorder phase transitions. Such a possibility is provided by the Monte Carlo method, which simulates diffusion by the vacancy mechanism. This paper presents a theoretical model that allows one to study diffusion processes in ternary alloys based on an fcc lattice assuming the model of hard coordination spheres. The influence of the third component on the structure and energy of the alloy is shown.
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14 September 2022
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON THE PHYSICS AND TECHNOLOGY OF ADVANCED MATERIALS (PTAM - 2021)
5–8 October 2021
Ufa, Russia
Research Article|
September 14 2022
Monte Carlo simulation of diffusion in ternary alloys based on fcc lattice Available to Purchase
Albert R. Khalikov;
Albert R. Khalikov
a)
1
Ufa State Aviation Technical University
, Ufa 450008, Russia
a)Corresponding author: [email protected]
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Vener A. Valitov;
Vener A. Valitov
b)
2
Institute for Metals Superplasticity Problems of the Russian Academy of Sciences
, Ufa 450001, Russia
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Sergey V. Dmitriev
Sergey V. Dmitriev
c)
2
Institute for Metals Superplasticity Problems of the Russian Academy of Sciences
, Ufa 450001, Russia
3
Institute of Molecule and Crystal Physics, UFRC, Russian Academy of Sciences
, Ufa 450054, Russia
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Albert R. Khalikov
1,a)
Vener A. Valitov
2,b)
Sergey V. Dmitriev
2,3,c)
1
Ufa State Aviation Technical University
, Ufa 450008, Russia
2
Institute for Metals Superplasticity Problems of the Russian Academy of Sciences
, Ufa 450001, Russia
3
Institute of Molecule and Crystal Physics, UFRC, Russian Academy of Sciences
, Ufa 450054, Russia
a)Corresponding author: [email protected]
b)
Electronic mail: [email protected]
c)
Electronic mail: [email protected]
AIP Conf. Proc. 2533, 020024 (2022)
Citation
Albert R. Khalikov, Vener A. Valitov, Sergey V. Dmitriev; Monte Carlo simulation of diffusion in ternary alloys based on fcc lattice. AIP Conf. Proc. 14 September 2022; 2533 (1): 020024. https://doi.org/10.1063/5.0103640
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