The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases

Samolyuk, G. D.; Újfalussy, B.; Stocks, G. M.

doi:10.1063/1.4901229

Title: The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO₃ Fe₃Al, Co₃Al, and Ni₃Al based intermetallic phases

Abstract

Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co and Ti within the AlNi-based matrix phase. In our paper we report the results of first-principles calculations of the site preference of ternary alloying additions in DO₃ Fe₃Al, Co₃Al and Ni₃Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which corresponds to experimental situation, Ti and Fe are found to occupy the sites, while Co and Ni prefer the sites of the DO₃ lattice. Finally, an important finding is that the magnetic moments of transition metals in Fe₃Al and Co₃Al are ordered ferromagnetically, whereas the Ni3Al were found to be nonmagnetic unless the Fe or Co are added as a ternary element.

Authors:

Samolyuk, G. D. ^[1]; Újfalussy, B. ^[2]; Stocks, G. M. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Hungarian Academy of Sciences Budapest (Hungary). Wigner Research Centre for Physics

Publication Date:: Fri Nov 07 00:00:00 EST 2014

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: Work for Others (WFO); USDOE Office of Energy Efficiency and Renewable Energy (EERE)

OSTI Identifier:: 1286754

Grant/Contract Number:: AC05-00OR22725; AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Volume: 116; Journal Issue: 17; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; permanent magnets; high flux-density; RE-free

Citation Formats


                    Samolyuk, G. D., Újfalussy, B., and Stocks, G. M. The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases.  United States: N. p., 2014. 
Web.  doi:10.1063/1.4901229.

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                    Samolyuk, G. D., Újfalussy, B., & Stocks, G. M. The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases.  United States.  https://doi.org/10.1063/1.4901229

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                    Samolyuk, G. D., Újfalussy, B., and Stocks, G. M. Fri .  
"The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases".  United States.  https://doi.org/10.1063/1.4901229.  https://www.osti.gov/servlets/purl/1286754.

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@article{osti_1286754,

  title        = {The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases},

  author       = {Samolyuk, G. D. and Újfalussy, B. and Stocks, G. M.},

  abstractNote = {Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co and Ti within the AlNi-based matrix phase. In our paper we report the results of first-principles calculations of the site preference of ternary alloying additions in DO3 Fe3Al, Co3Al and Ni3Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which corresponds to experimental situation, Ti and Fe are found to occupy the sites, while Co and Ni prefer the sites of the DO3 lattice. Finally, an important finding is that the magnetic moments of transition metals in Fe3Al and Co3Al are ordered ferromagnetically, whereas the Ni3Al were found to be nonmagnetic unless the Fe or Co are added as a ternary element.},

  doi          = {10.1063/1.4901229},

  journal      = {Journal of Applied Physics},

  number       = 17,

  volume       = 116,

  place        = {United States},

  year         = {Fri Nov 07 00:00:00 EST 2014},

  month        = {Fri Nov 07 00:00:00 EST 2014}

}

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Title: The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases

Abstract

Citation Formats

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Title: The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO₃ Fe₃Al, Co₃Al, and Ni₃Al based intermetallic phases

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Site preference of ternary alloying additions in FeAl and NiAl by first-principles calculations
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First-principles calculations of cohesive energies in the $Al − Co$ binary alloy system
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