Kinetics of Early Decomposition Stages in Diluted bcc Fe–Сu–Ni–Al Alloy: MC+MD Simulation


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Abstract

A combined approach including the Monte Carlo and molecular-dynamics simulation, decomposition kinetics and segregation formation in the multicomponent low-alloy Fe–1.5Cu–2Ni–1.5Al (at %) alloy is studied. It is shown that the formation of Cu nanoparticles surface-enriched with Ni and Al (coprecipitation mode) includes several stages: (i) the formation of clusters consisting of several Cu atoms, (ii) their enrichment with Ni and Al atoms, and (iii) redistribution of Ni and Al atoms with the formation of a surface layer providing stabilization of Cu nanoparticles. Observed structural features of segregations and their stability in Fe–Cu–Ni–Al alloys is discussed.

About the authors

I. N. Kar’kin

Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences

Email: lidiakarkina@gmail.com
Russian Federation, Yekaterinburg, 620990

L E. Kar’kina

Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences

Author for correspondence.
Email: lidiakarkina@gmail.com
Russian Federation, Yekaterinburg, 620990

Yu. N. Gornostyrev

Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences; Institute of Quantum Materials Science

Email: lidiakarkina@gmail.com
Russian Federation, Yekaterinburg, 620990 ; Yekaterinburg, 620007

A. P. Korzhavyi

Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences; Department of Materials Science and Engineering, KTH Royal Institute of Technology

Email: lidiakarkina@gmail.com
Russian Federation, Yekaterinburg, 620990 ; Stockholm, SE-100 44

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