Frank-Kasper Phases

A special issue of Applied Sciences (ISSN 2076-3417).

Deadline for manuscript submissions: closed (15 July 2012) | Viewed by 17457

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Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, PL-30-059 Krakow, Poland
Interests: experimental solid state physics; iron-alloys and compounds; magnetism; electronic structure; spin-density waves; sigma-phase; phase decomposition; iron in living organisms; Moessbauer spectroscopy

Special Issue Information

Dear Colleagues,

Frank-Kasper (FK) or topologically close-packed phases have a complex crystallographic structure which can be represented in terms of polyhedra with 12, 13, 14, 15 and 16 coordination numbers. The most common members of a FK-phases family are: A15, Laves phases, M, P, R,γ, δ, μ and σ. Among them the Laves phases and s seem to be the most frequently investigated ones. The interest in FK-phases is twofold: technological and scientific. The former stems from the fact that their presence in technologically important materials like stainless steels, Co- and Ni-based superalloys, is detrimental to their useful properties because FK-phases precipitate non-coherently, are brittle, and often deplete the matrix of solid-solution elements, thus changing the original material properties. In other words, FK-phases are technologically an unwanted phenomenon. On the other hand, scientifically, they are very interesting per se as complex objects. Furthermore, they are quite challenging, first because most of them have not yet been investigated thoroughly enough and their physical properties are not known in detail, and second because their complex and often non-stoichiometric structure makes them a very demanding target for theoretical calculations. The latter feature also causes the interpretation of measurements carried out on FK-phases to be difficult and not unique. In such circumstances, a combination of both experimental and theoretical studies can be the proper approch to succesfully investigate physical properties of FK-phases. Knowledge of the latter may have a positive impact on the technology of materials in which FK-phases may potentially precipitate. We are highly pleased that experts in this field have agreed to contribute their research achievements to this special issue.

Prof. Dr. Stanislaw M. Dubiel
Guest Editor

Keywords

  • Topologically close-packed phases;
  • Frank-Kasper phases;
  • s-phase; Laves phases;
  • high-coordination solid state structures;
  • technologically important materials;
  • alloys and compounds;
  • stainless steels;
  • superalloys

Published Papers (2 papers)

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Article
Ab Initio Study of Lattice Site Occupancies in Binary Sigma Phases Using a Single-Site Mean Field Model
by Evgeniya Kabliman, Andrei V. Ruban, Peter Blaha, Oleg Peil and Karlheinz Schwarz
Appl. Sci. 2012, 2(3), 654-668; https://doi.org/10.3390/app2030654 - 03 Sep 2012
Cited by 11 | Viewed by 7536
Abstract
The site occupation of binary Fe-Cr, Co-Cr, Re-W and Fe-V sigma phases is studied in the present work with a first-principles-based single-site mean field theory. We show that the alloy components in these systems exhibit similar site preferences except for the Re-W system, [...] Read more.
The site occupation of binary Fe-Cr, Co-Cr, Re-W and Fe-V sigma phases is studied in the present work with a first-principles-based single-site mean field theory. We show that the alloy components in these systems exhibit similar site preferences except for the Re-W system, where the occupation of two sites is reversed in agreement with previously published works. In case of the FeV sigma phase, for which the size mismatch between the alloy components is large, we also include into our consideration the effect of local lattice relaxations. The obtained results are found in good agreement with the experimental data and previous theoretical studies. Full article
(This article belongs to the Special Issue Frank-Kasper Phases)
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230 KiB  
Review
Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases
by Jean-Marc Joubert and Jean-Claude Crivello
Appl. Sci. 2012, 2(3), 669-681; https://doi.org/10.3390/app2030669 - 10 Sep 2012
Cited by 22 | Viewed by 8349
Abstract
One of the many singularities of Frank-Kasper phases is their ability to accommodate extremely large composition ranges by atom mixing on the different sites of the crystal structures. This phenomenon will be reviewed in the present paper with special emphasis on the experimental [...] Read more.
One of the many singularities of Frank-Kasper phases is their ability to accommodate extremely large composition ranges by atom mixing on the different sites of the crystal structures. This phenomenon will be reviewed in the present paper with special emphasis on the experimental demonstration of this phenomenon, the theoretical calculation of disordered structures and the modeling of these phases. Full article
(This article belongs to the Special Issue Frank-Kasper Phases)
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