Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase

Zhou, S. H.; Kramer, M. J.; Meng, F. Q.; McCallum, R. W.; Ott, R. T.

doi:10.1016/j.matdes.2015.11.058

Title: Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase

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Abstract

Co₅Pr-D2_d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co₅Pr-D2_d phase. The object of our study is to assess thermodynamic pathways for crystalline phases under far-from-equilibrium conditions by combining first-principles calculations and experimental measurements into a robust description of the thermodynamic behavior. The energetic calculations, temperature and time dependent phase selections are predicted under varying degrees of chemical partitioning. Our calculation to assess the chemical partitioning-temperatures indicates that the major magnetic compounds: Co₁₇Pr₂-α, Co₅Pr-D2_d, Co₁₉Pr₅-β, and Co₇Pr₂-χ form from a congruent manner to eutectic reactions with decreasing cooling rate. The compositions of the compounds from these highly driven liquids can be far from equilibrium.

Authors:

Zhou, S. H. ^[1]; Kramer, M. J. ^[2]; Meng, F. Q. ^[1]; McCallum, R. W. ^[2]; Ott, R. T. ^[1]

Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Publication Date:: Sat Nov 14 00:00:00 EST 2015

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1226907

Alternate Identifier(s):: OSTI ID: 1397673

Report Number(s):: IS-J-8531
Journal ID: ISSN 0264-1275; PII: S0264127515308005

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Materials & Design

Additional Journal Information:: Journal Volume: 90; Journal Issue: C; Journal ID: ISSN 0264-1275

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; first-principles calculation; energetic calculation; nonequilibrium phase transformation; chemical partitioning; hard magnetic Co5Pr-D2d

Citation Formats


                    Zhou, S. H., Kramer, M. J., Meng, F. Q., McCallum, R. W., and Ott, R. T. Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase.  United States: N. p., 2015. 
Web.  doi:10.1016/j.matdes.2015.11.058.

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                    Zhou, S. H., Kramer, M. J., Meng, F. Q., McCallum, R. W., & Ott, R. T. Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase.  United States.  https://doi.org/10.1016/j.matdes.2015.11.058

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                    Zhou, S. H., Kramer, M. J., Meng, F. Q., McCallum, R. W., and Ott, R. T. Sat .  
"Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase".  United States.  https://doi.org/10.1016/j.matdes.2015.11.058.  https://www.osti.gov/servlets/purl/1226907.

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@article{osti_1226907,

  title        = {Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase},

  author       = {Zhou, S. H. and Kramer, M. J. and Meng, F. Q. and McCallum, R. W. and Ott, R. T.},

  abstractNote = {Co5Pr-D2d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co5Pr-D2d phase. The object of our study is to assess thermodynamic pathways for crystalline phases under far-from-equilibrium conditions by combining first-principles calculations and experimental measurements into a robust description of the thermodynamic behavior. The energetic calculations, temperature and time dependent phase selections are predicted under varying degrees of chemical partitioning. Our calculation to assess the chemical partitioning-temperatures indicates that the major magnetic compounds: Co17Pr2-α, Co5Pr-D2d, Co19Pr5-β, and Co7Pr2-χ form from a congruent manner to eutectic reactions with decreasing cooling rate. The compositions of the compounds from these highly driven liquids can be far from equilibrium.},

  doi          = {10.1016/j.matdes.2015.11.058},

  journal      = {Materials & Design},

  number       = C,

  volume       = 90,

  place        = {United States},

  year         = {Sat Nov 14 00:00:00 EST 2015},

  month        = {Sat Nov 14 00:00:00 EST 2015}

}

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