Startseite Technik Construction of the Al–Ni–Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations
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Construction of the Al–Ni–Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations

  • Wei Xiong , Yong Du , Rong-Xiang Hu , Jiong Wang , Wei-Wei Zhang , Philip Nash und Xiao-Gang Lu
Veröffentlicht/Copyright: 11. Juni 2013
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International Journal of Materials Research
Aus der Zeitschrift International Journal of Materials Research Band 99 Heft 6

Abstract

An extensive thermodynamic investigation of the Al – Ni – Si system is carried out via an integrated approach of calculation of phase diagrams, first-principles calculations, and key experiments. Eighteen decisive alloys are prepared in order to verify the existence of the previously reported ternary compounds and to provide new phase equilibrium data. Phase compositions, microstructure, and phase transition temperatures are determined using the combined techniques of X-ray diffraction, scanning electron microscopy, energy dispersion X-ray analysis, and differential thermal analysis. The order/disorder transition between disordered bcc_A2 and ordered bcc_B2 phases as well as that between disordered fcc_A1 and ordered L12 phase are described using a two-sublattice model. A self-consistent parameter set is finally obtained by considering the huge amount of experimental data including 13 vertical sections and 5 isothermal sections from both the literature and the present experiments. Almost all of the reliable phase diagram data can be well described by the present modeling. The reliability of the calculated thermodynamic properties for ternary phases is verified through enthalpy measurement employing drop calorimetry and first-principles calculations. The thermodynamic parameters obtained can also successfully predict most of the thermodynamic properties and describe the solidification path for the selected as-cast alloy Al6Ni55Si39.

Keywords: Al-Ni-Si phase diagram; Thermodynamic modeling; First-principles calculations; Differential thermal analysis; Calorimetry
* 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: 2007-12-14
Accepted: 2008-3-8
Published Online: 2013-06-11
Published in Print: 2008-06-01

© 2008, Carl Hanser Verlag, München

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Editorial
  4. 1st Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  5. Basic
  6. First-principles calculations of the thermodynamic and elastic properties of the L12-based Al3RE (RE = Sc, Y, La–Lu)
  7. From binary assessments to thermodynamic databases
  8. Construction of the Al–Ni–Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations
  9. Modeling rapid liquid/solid and solid/liquid phase transformations in Al alloys
  10. Multiphase/multicomponent modeling of solidification processes: coupling solidification kinetics with thermodynamics
  11. Molecular dynamics study of the hcp–bcc phase transformation in nanocrystalline zirconium
  12. Thermodynamic description of multi-component multi-phase alloys and its application to the solidification process
  13. Applied
  14. Phase-diagram-related problems in thermoelectric materials: Skutterudites as an example
  15. Phase equilibria of the Al–Ni–Zn system at 340°C
  16. Thermodynamic description of the Ce-Mg-Y and Mg-Nd-Y systems
  17. Experimental and theoretical study of the phase relations in the zinc-rich corner of the Zn–Fe–Cr system at 450°C
  18. Formation of primary TiN precipitates during solidification of microalloyed steels – Scheil versus DICTRA simulations
  19. ThermoCalc-based numerical computations for temperature, fraction of solid phase and composition couplings in alloy solidification
  20. Effect of yttrium addition on the glass forming ability of Co-based alloys
  21. Phase equilibria in the Y–Ti–Si system at 773 K
  22. DGM News
  23. Personal
https://doi.org/10.3139/146.101681
Schlagwörter für diesen Artikel
Al-Ni-Si phase diagram; Thermodynamic modeling; First-principles calculations; Differential thermal analysis; Calorimetry

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Editorial
  4. 1st Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  5. Basic
  6. First-principles calculations of the thermodynamic and elastic properties of the L12-based Al3RE (RE = Sc, Y, La–Lu)
  7. From binary assessments to thermodynamic databases
  8. Construction of the Al–Ni–Si phase diagram over the whole composition and temperature ranges: thermodynamic modeling supported by key experiments and first-principles calculations
  9. Modeling rapid liquid/solid and solid/liquid phase transformations in Al alloys
  10. Multiphase/multicomponent modeling of solidification processes: coupling solidification kinetics with thermodynamics
  11. Molecular dynamics study of the hcp–bcc phase transformation in nanocrystalline zirconium
  12. Thermodynamic description of multi-component multi-phase alloys and its application to the solidification process
  13. Applied
  14. Phase-diagram-related problems in thermoelectric materials: Skutterudites as an example
  15. Phase equilibria of the Al–Ni–Zn system at 340°C
  16. Thermodynamic description of the Ce-Mg-Y and Mg-Nd-Y systems
  17. Experimental and theoretical study of the phase relations in the zinc-rich corner of the Zn–Fe–Cr system at 450°C
  18. Formation of primary TiN precipitates during solidification of microalloyed steels – Scheil versus DICTRA simulations
  19. ThermoCalc-based numerical computations for temperature, fraction of solid phase and composition couplings in alloy solidification
  20. Effect of yttrium addition on the glass forming ability of Co-based alloys
  21. Phase equilibria in the Y–Ti–Si system at 773 K
  22. DGM News
  23. Personal
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