Startseite Reassessment of the Ni–B system supported by key experiments and first-principles calculation
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Reassessment of the Ni–B system supported by key experiments and first-principles calculation

  • Wei-Hua Sun , Yong Du , Yi Kong , Hong-Hui Xu , Wei Xiong und Shu-Hong Liu
Veröffentlicht/Copyright: 11. Juni 2013
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International Journal of Materials Research
Aus der Zeitschrift International Journal of Materials Research Band 100 Heft 1

Abstract

The Ni – B system is reassessed based on critical literature review and the results of key experiments and first-principles calculation. Eight Ni – B alloys are prepared by arc melting the pure elements. The samples are analyzed by means of chemical analysis, X-ray diffraction and differential thermal analysis. NiB12 and NiB2 are not found in the equilibrium condition. Four invariant temperatures are measured: 1098 ± 2 °C for L ↔ fcc(Ni) + Ni3B, 1114 ± 2 °C for L ↔ Ni3B + Ni2B, 1025 ± 2 °C for L ↔ Ni2B + orthorhombic-Ni4B3 and 1044 ± 2 °C for L + βB ↔ NiB. The heat capacity of NiB is determined to be 58.46092 + 0.0012 · T – 1 597 915.59793 · T– 2 (J mol– 1 K– 1, T in Kelvin) in the temperature range from 40 to 950 °C by differential scanning calorimetry. First-principles calculation indicates that the energy of inserting a B atom into the interstitial site of the lattice for Ni atoms is lower than that of substituting for an Ni atom with a B atom. Consequently, the sublattice model (Ni) (B, Va) in which B atoms occupy the interstitial sites is employed for the fcc(Ni) phase rather than the model (Ni, B) (Va) in which B atoms substitute for Ni atoms. In addition, the enthalpies of formation for the five compounds are obtained via first-principles calculation to supplement the modeling. A self-consistent set of thermodynamic parameters for the Ni – B system is finally obtained and the calculated results show good agreement with the experimental data.

Keywords: Ni – B system; Thermodynamic modeling; First-principles calculation; X-ray diffraction; Differential thermal analysis
* Correspondence address, Professor Dr. Yong Du, State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083, P.R. China, Tel.: +86 731 883 6213, Fax: +86 731 871 0855, E-mail:

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Received: 2008-7-18
Accepted: 2008-10-20
Published Online: 2013-06-11
Published in Print: 2009-01-01

© 2009, Carl Hanser Verlag, München

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Editorial
  4. Editorial
  5. Congratulations
  6. The 100th Volume of “International Journal of Materials Research” – the DGM congratulates!
  7. Feature
  8. The anatomy of the International Journal of Materials Research1 in the light of bibliometry
  9. Verhakungen, dislocations, solitons, and kinks
  10. Review
  11. Do we need a new conference series for the German materials community?
  12. Basic
  13. Bainite orientation in plastically deformed austenite
  14. Microstructure evolution during a liquid–liquid decomposition under the common action of the nucleation, growth and Ostwald ripening of droplets
  15. Surface tension of liquid binary alloys – theory versus experiment
  16. Reassessment of the Ni–B system supported by key experiments and first-principles calculation
  17. A combined microtensile testing and nanoindentation study of the mechanical behavior of nanocrystalline LIGA Ni–Fe
  18. Effect of electropulsing on the tensile flow stress of ultrafine-grained 3Y-TZP at 1400°C
  19. Applied
  20. Experimental survey on fluid brazing in ancient goldsmith' art
  21. Correlation between heat treatment, microstructure and mechanical properties of a hot-work tool steel
  22. Study of near surface changes in yttria-doped tetragonal zirconia after low temperature degradation
  23. Thermographic analysis of AlSi12 during crystallisation as a function of cooling rate
  24. Oxidation behaviour of experimental Co–Re-base alloys in laboratory air at 1000°C
  25. Notification
  26. DGM News
https://doi.org/10.3139/146.101786
Schlagwörter für diesen Artikel
Ni – B system; Thermodynamic modeling; First-principles calculation; X-ray diffraction; Differential thermal analysis

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Editorial
  4. Editorial
  5. Congratulations
  6. The 100th Volume of “International Journal of Materials Research” – the DGM congratulates!
  7. Feature
  8. The anatomy of the International Journal of Materials Research1 in the light of bibliometry
  9. Verhakungen, dislocations, solitons, and kinks
  10. Review
  11. Do we need a new conference series for the German materials community?
  12. Basic
  13. Bainite orientation in plastically deformed austenite
  14. Microstructure evolution during a liquid–liquid decomposition under the common action of the nucleation, growth and Ostwald ripening of droplets
  15. Surface tension of liquid binary alloys – theory versus experiment
  16. Reassessment of the Ni–B system supported by key experiments and first-principles calculation
  17. A combined microtensile testing and nanoindentation study of the mechanical behavior of nanocrystalline LIGA Ni–Fe
  18. Effect of electropulsing on the tensile flow stress of ultrafine-grained 3Y-TZP at 1400°C
  19. Applied
  20. Experimental survey on fluid brazing in ancient goldsmith' art
  21. Correlation between heat treatment, microstructure and mechanical properties of a hot-work tool steel
  22. Study of near surface changes in yttria-doped tetragonal zirconia after low temperature degradation
  23. Thermographic analysis of AlSi12 during crystallisation as a function of cooling rate
  24. Oxidation behaviour of experimental Co–Re-base alloys in laboratory air at 1000°C
  25. Notification
  26. DGM News
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