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Title: Role of magnetic degrees of freedom in a scenario of phase transformations in steel
Authors: Razumov, I. K.
Boukhvalov, D. V.
Petrik, M. V.
Urtsev, V. N.
Shmakov, A. V.
Katsnelson, M. I.
Gornostyrev, Yu. N.
Issue Date: 2014
Publisher: American Physical Society
Citation: Role of magnetic degrees of freedom in a scenario of phase transformations in steel / I. K. Razumov, D. V. Boukhvalov, M. V. Petrik, et al. — DOI 10.1103/PhysRevB.90.094101 // Physical Review B - Condensed Matter and Materials Physics. — 2014. — Vol. 90. — Iss. 9. — 094101.
Abstract: The diversity of mesostructures formed in steel at cooling from a high-temperature austenite (γ) phase is determined by the interplay of shear reconstructions of crystal lattice and diffusion of carbon. Combining first-principles calculations with large-scale phase-field simulations we demonstrate a decisive role of magnetic degrees of freedom in the formation of energy relief along the Bain path of γ-α transformation and, thus, in this interplay. We show that there is the main factor, namely, the magnetic state of iron and its evolution with temperature which controls the change in character of the transformation. Based on the computational results we propose a simple model which reproduces, in good agreement with experiment, the most important curves of the phase transformation in Fe-C, namely, the lines relevant to a start of ferrite, bainite, and martensite transformations. Phase-field simulations within the model describe qualitatively typical patterns at these transformations. © 2014 American Physical Society.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 84985036636
PURE ID: 417340
ISSN: 10980121
DOI: 10.1103/PhysRevB.90.094101
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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