Abstract:
The thermodynamics and kinetics of decomposition of a Fe–Cu alloy are investigated in the context of a simple ab initio parameterization model taking into account the concentration dependence of the magnetic contribution to the free energy. It is shown that taking into account a difference between the short-range and long-range magnetic orders near the Curie temperature is very important for calculating the solubility of copper in iron. The solubility of copper in bcc iron and the stability limit of a homogeneous state (physical spinodal) are evaluated via the kinetic Monte Carlo method. The impact of structural defects (dislocations and grain boundaries) on these curves, as well as on the kinetic time–temperature–transformation (TTT) diagram, is also discussed.
This work was supported within the framework of a State Task on the “Magnit” (project АААА-А18-118020290129-5) and “Struktura” (project АААА-А18-118020190116-6) Topics.
Citation:
I. K. Razumov, I. G. Shmakov, “The model of decomposition of a Fe–Cu alloy with concentration-depending interatomic interactions”, Fizika Tverdogo Tela, 61:6 (2019), 1031–1039; Phys. Solid State, 61:6 (2019), 952–961
\Bibitem{RazShm19}
\by I.~K.~Razumov, I.~G.~Shmakov
\paper The model of decomposition of a Fe--Cu alloy with concentration-depending interatomic interactions
\jour Fizika Tverdogo Tela
\yr 2019
\vol 61
\issue 6
\pages 1031--1039
\mathnet{http://mi.mathnet.ru/ftt8777}
\crossref{https://doi.org/10.21883/FTT.2019.06.47675.361}
\elib{https://elibrary.ru/item.asp?id=39133764}
\transl
\jour Phys. Solid State
\yr 2019
\vol 61
\issue 6
\pages 952--961
\crossref{https://doi.org/10.1134/S1063783419060180}
Linking options:
https://www.mathnet.ru/eng/ftt8777
https://www.mathnet.ru/eng/ftt/v61/i6/p1031
This publication is cited in the following 2 articles:
A Redermeier, E Kozeschnik, “Monte Carlo study of Cu precipitation in bcc-Fe: temperature-dependent cluster expansion versus local chemical environment potentials”, Modelling Simul. Mater. Sci. Eng., 29:3 (2021), 035014
I. K. Razumov, Yu. N. Gornostyrev, “Model of Decomposition of Alloy with Two Magnetic Components: the BCC FeCr System”, Phys. Metals Metallogr., 122:11 (2021), 1031