Rare-Earth Alloys and Compounds

A special issue of Metals (ISSN 2075-4701).

Deadline for manuscript submissions: 25 July 2024 | Viewed by 1366

Special Issue Editors


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Guest Editor
Lawrence Livermore National Laboratory, Livermore, CA 94551-0808, USA
Interests: actinides and lanthanides; high entropy alloys; thermodynamics; alloy design; phase diagrams; CALPHAD

E-Mail Website
Guest Editor
Lawrence Livermore National Laboratory, Livermore, CA 94551-0808, USA
Interests: magnetic materials; actinide and lanthanide compounds; advanced manufacturing; alloy design

Special Issue Information

Dear Colleagues,

Alloys based on critical materials, such as rare-earth metals, host a rich array of physical and chemical phenomena, making them indispensable for a wide range of technological applications. These materials came to global prominence during the rare-earth price shock of the early 2010s and are currently gaining renewed prominence due to the transition to a green economy: from their presence in permanent magnets for EVs or applications in clean-energy generation.

However, they also come with complicated chemistry and physics, and demanding processing conditions, which makes detailed evaluation of their phase stability, properties, and manufacturability challenging. In the face of these complications, this Special Issue aims to present state-of-the-art results of scientific investigations ranging from theoretical approaches (e.g., ab initio calculations and CALPHAD assessment of binary systems) to experimental studies at a higher technology readiness level (e.g., new process development for multicomponent hard magnets) to improve our knowledge of rare-earth alloys and compounds, thus facilitating their (i) separation, refinement, and production; (ii) substitution; and (iii) reuse and recycling.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following: determinations of crystal structures, phase diagrams, phase equilibria, and thermodynamic properties; measurements and prediction of diffusion coefficients; theoretical predictions and experimental characterizations of physical and chemical properties; high throughput alloy synthesis and characterization; and alloy design.

Dr. Aurelien Perron
Dr. Alexander Adrian Baker
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • rare earths
  • 4f electrons
  • critical materials
  • thermodynamics and kinetics
  • phase diagrams
  • magnetism
  • CALPHAD
  • green energy
  • combinatorial material assessment
  • ab initio calculations
  • atomistic simulations

Published Papers (1 paper)

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Research

15 pages, 2623 KiB  
Article
Thermodynamics and Magnetism of SmFe12 Compound Doped with Zr, Ce, Co and Ni: An Ab Initio Study
by Alexander Landa, Per Söderlind, Emily E. Moore and Aurélien Perron
Metals 2024, 14(1), 59; https://doi.org/10.3390/met14010059 - 3 Jan 2024
Viewed by 949
Abstract
Alloys that are Ni-doped, such as the (Sm1−yZry)(Fe1−xCox)12 and (Ce0.5Sm0.5)Fe10Co2 systems, are studied because of their magnetic properties. The (Sm1−yZry)(Fe1−xCox [...] Read more.
Alloys that are Ni-doped, such as the (Sm1−yZry)(Fe1−xCox)12 and (Ce0.5Sm0.5)Fe10Co2 systems, are studied because of their magnetic properties. The (Sm1−yZry)(Fe1−xCox)11−zTiz and (Ce.1−xSmx)Fe9Co2Ti alloys are considered contenders for vastly effective permanent magnets because of their anisotropy field and Curie temperature. Ti can act as a stabilizer for the SmFe12 compound but substantially suppresses saturation magnetization. To maintain the saturation magnetization in the scope of 1.3–1.5 T, we propose substituting a particular quantity of Fe and Co in the (Sm1−yZry)(Fe1−xCox)12 and (Ce0.5Sm0.5)Fe10Co2 alloys with Ni. By performing ab initio calculations, we show that Ni incorporation results in increased thermodynamic stability and, in contrast to Ti, has a parallel spin moment aligned to the moment of the SmFe12 compound and improves its saturation magnetization without affecting the anisotropy field or Curie temperature. Full article
(This article belongs to the Special Issue Rare-Earth Alloys and Compounds)
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