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

Abstract

Co 5Pr-D2 d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co 5Pr-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: Co 17Pr 2-α, Co 5Pr-D2 d, Co 19Pr 5-β, and Co 7Pr 2-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:
 [1];  [2];  [1];  [2];  [1]
  1. Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), 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.
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. doi:10.1016/j.matdes.2015.11.058.
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. doi:10.1016/j.matdes.2015.11.058. https://www.osti.gov/servlets/purl/1226907.
@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 = {2015},
month = {11}
}

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