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

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.
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:
OSTI Identifier:
1226907
Report Number(s):
IS--J-8531
Journal ID: ISSN 0264-1275; PII: S0264127515308005
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Materials & Design
Additional Journal Information:
Journal Volume: 90; Journal Issue: C; Journal ID: ISSN 0264-1275
Publisher:
Elsevier
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
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