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Re-optimization of the Mg–Sb system under topological constraints

  • Dmitri V. Malakhov and Thevika Balakumar
Published/Copyright: May 31, 2013
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International Journal of Materials Research
From the journal International Journal of Materials Research Volume 97 Issue 5

Abstract

Non-existing inverted miscibility gaps in the liquid phase at high temperatures, reappearance of the liquid phase at low temperatures or reappearance of a solid phase at elevated temperatures, and other “approximation phantoms” sometimes result from thermodynamic assessments. A method for struggling against such artifacts is proposed. The method is based on introducing a sufficiently dense mesh of knots (not related to experimental points utilized in the optimization) and ensuring that specific inequality conditions (topological constraints) governing the appearance of the phase diagram are satisfied in these knots. It is shown that the syntax of the language describing conditions and experiments in the PARROT module of Thermo-Calc is suitable for performing such optimization. The workability of the approach proposed is exemplified by carrying out a re-optimization of the Mg–Sb system.

Keywords: CALPHAD method; Mg–Sb; miscibility gap; topological constraints; Thermo-Calc
* Correspondence address: Dr. Dmitri V. Malakhov, Associate Professor, JHE 357/B, 1280 Main Street West, Hamilton, Ontario, Canada, L8S 4L7, Tel.: +9055259140 ext. 24308, Fax: +9055289295. E-mail:

Dedicated to Professor Dr. Fritz Aldinger on the occasion of his 65th birthday

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Received: 2005-11-13
Accepted: 2006-2-6
Published Online: 2013-05-31
Published in Print: 2006-05-01

© 2006, Carl Hanser Verlag, München

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https://doi.org/10.3139/146.101267
Keywords for this article
CALPHAD method; Mg–Sb; miscibility gap; topological constraints; Thermo-Calc

Articles in the same Issue

  1. Contents
  2. Contents
  3. Editorial
  4. Editorial
  5. Basic
  6. Three-dimensional printing of TiAl3/Al2O3 composites
  7. Microemulsion mediated synthesis of nanocrystalline BaTiO3: possibilities, potential and perspectives
  8. Solid-State 17O NMR studies on Yttria-stabilized zirconia
  9. Twinning in ultrathin silicon nanowires
  10. Re-optimization of the Mg–Sb system under topological constraints
  11. Mg-rich phase equilibria of Mg–Mn–Zn alloys analyzed by computational thermochemistry
  12. The In–Pt–Sb phase diagram
  13. Thermodynamic evaluation of the Al–Cr–C system
  14. Thermodynamic description of the Ni–Si–Ti ternary system
  15. Enthalpies of formation measurements and thermodynamic description of the Ag–Cu–Zn system
  16. Thermodynamic assessment of the Mn–Cr–O system for solid oxide fuel cell (SOFC) materials
  17. Subsolidus phase equilibria in the CeO2−x–SiO2–ZrO2 system: An experimental study
  18. Generalized Maugis–Dugdale model of an elastic cylinder in non-slipping adhesive contact with a stretched substrate
  19. Implications of linear relationships between local and macroscopic flow stresses in the composite model
  20. Applied
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  22. Thin film formation by oriented attachment of polymer-capped nanocrystalline ZnO
  23. The sintering mechanism and microstructure evolution in SiC–AlN ceramics studiedby EFTEM
  24. Thermal evolution of free volumes and of crystallization in amorphous Si–B–C–N ceramics
  25. High-temperature deformation behavior of nanocrystalline precursor-derived Si–B–C–N ceramics in controlled atmosphere
  26. Nanopowder dispersion and spray-drying process: the case of Cr2O3
  27. Electroless deposition of brushite (CaHPO4 · 2H2O) crystals on Ti–6Al–4V at room temperature
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  29. The influence of porosity on the electrical properties of liquid-phase sintered silicon carbide
  30. Development of high-temperature thermoelectric materials based on SrTiO3-layered perovskites
  31. The influence of the preparation method on the microstructure and properties of Al2O3/TiN nanocomposites
  32. Infrared properties of sintered α-MnSe
  33. Quasi-equilibrium sintering of particle clusters containing Bernal holes
  34. Design of metal ceramic composites
  35. Notifications
  36. DGM News
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