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Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type

  • Xinlin Yan , Xing-Qiu Chen , A. Grytsiv , V. T. Witusiewicz , P. Rogl EMAIL logo , R. Podloucky , V. Pomjakushin and G. Giester
Published/Copyright: January 19, 2022
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International Journal of Materials Research
From the journal International Journal of Materials Research Volume 97 Issue 4

Abstract

Site preference and thermodynamic properties of the ternary Laves phase Ti(Fe1 –xAlx)2 with MgZn2-type have been studied employing Rietveld refinement of X-ray and neutron powder diffraction data, X-ray single crystal data, and isoperibolic drop calorimetry techniques. A detailed relation between lattice parameters of Ti(Fe1– xAlx)2 and the Al content in the Laves phase has been presented. The Rietvelt refinement revealed that Ti atoms occupy the 4f site in the MgZn2-type, whilst Fe and Al atoms randomly share the 2a and 6 θ site. Heat of formation has been measured for Ti(Fe0.5Al0.5)2. For the ab initio density functional theory applications, a large number of structural models were investigated to calculate the concentration dependent (Al) heats of formation, magnetic structural stabilities, lattice parameters, and site occupancies, which are in good agreement with experiment.

Keywords: Ternary titanium aluminides; Crystal chemistry; Site occupancy; Diffraction (X-ray/neutron powder and X-ray single crystal); Thermodynamics and ab-initio calculation
Univ.-Prof. Dr. Peter Rogl Institut für Physikalische Chemie, Universität Wien Währingerstraße 42, A-1090 Wien, Austria Tel.: +43 1 4277 52456 Fax: +43 1 4277 9524

Dedicated to Prof. Dr. Ferdinand Sommer on the occasion of his 65th birthday

  1. This work was supported by the Austrian National Science Foundation FWF projects no. P16957, P16778 and was partially performed at the spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland. The authors also thank the Austrian-Chinese scientific technical exchange program under OEAD project VII.A.16 for a research grant (X. Yan).

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Received: 2005-10-03
Accepted: 2005-12-04
Published Online: 2022-01-19

© 2006 Carl Hanser Verlag, München

Articles in the same Issue

  1. Frontmatter
  2. Editorial
  3. Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
  4. Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
  5. Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
  6. Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
  7. Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
  8. Structure-induced order – disorder transformation in Cd – Na liquid alloys
  9. An indirect approach to measure glass transition temperature in metallic glasses
  10. Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
  11. Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
  12. Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
  13. The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
  14. Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
  15. Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
  16. Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
  17. Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
  18. Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
  19. Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
  20. Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
  21. Low temperature deposition with inductively coupled plasma
  22. Instructions for Authors
  23. Personal/Personelles
  24. Press/Presse
  25. Conferences/Konferenzen
  26. Frontmatter
  27. Editorial
  28. Editorial
  29. BBasic
  30. Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
  31. Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
  32. Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
  33. Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
  34. Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
  35. Structure-induced order – disorder transformation in Cd – Na liquid alloys
  36. An indirect approach to measure glass transition temperature in metallic glasses
  37. Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
  38. Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
  39. Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
  40. The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
  41. Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
  42. Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
  43. Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
  44. Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
  45. Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
  46. Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
  47. Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
  48. AApplied
  49. Low temperature deposition with inductively coupled plasma
  50. Notifications/Mitteilungen
  51. Instructions for Authors
  52. Personal/Personelles
  53. Press/Presse
  54. Conferences/Konferenzen
https://doi.org/10.1515/ijmr-2006-0074
Keywords for this article
Ternary titanium aluminides; Crystal chemistry; Site occupancy; Diffraction (X-ray/neutron powder and X-ray single crystal); Thermodynamics and ab-initio calculation

Articles in the same Issue

  1. Frontmatter
  2. Editorial
  3. Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
  4. Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
  5. Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
  6. Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
  7. Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
  8. Structure-induced order – disorder transformation in Cd – Na liquid alloys
  9. An indirect approach to measure glass transition temperature in metallic glasses
  10. Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
  11. Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
  12. Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
  13. The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
  14. Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
  15. Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
  16. Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
  17. Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
  18. Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
  19. Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
  20. Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
  21. Low temperature deposition with inductively coupled plasma
  22. Instructions for Authors
  23. Personal/Personelles
  24. Press/Presse
  25. Conferences/Konferenzen
  26. Frontmatter
  27. Editorial
  28. Editorial
  29. BBasic
  30. Evolution of the mixed-mode character of solid-state phase transformations in metals involving solute partitioning
  31. Liquid–liquid interfacial tension in themonotectic alloy (Al34.5Bi65.5)95Si5 (wt.%)
  32. Influence of Sb additions on surface tension and density of Sn–Sb, Sn–Ag–Sb and Sn–Ag–Cu–Sb alloys: Experiment vs. modeling
  33. Liquid–liquid transition in elemental liquids investigated by sound velocity measurements: trends in the periodic table
  34. Bulk and surface properties of liquid Ga–Tl and Zn–Cd alloys
  35. Structure-induced order – disorder transformation in Cd – Na liquid alloys
  36. An indirect approach to measure glass transition temperature in metallic glasses
  37. Fragility, kinetic stability and phase separations in the undercooled state of bulk glass formers – a case study on metallic model systems
  38. Development of long-period ordered structures during crystallisation of amorphous Mg80Cu10Y10 and Mg83Ni9Y8
  39. Isothermal crystallization behavior of undercooled liquid Pd40Cu30Ni10P20 in terms of crystal growth, overall volume crystallization kinetics and their relation to the viscosity temperature dependence
  40. The magnesium-ytterbium system: A contribution to the thermodynamics of solid alloys
  41. Experimental investigation and thermodynamic modelling of the Mg–Al-rich region of the Mg–Al–Sr System
  42. Thermodynamic properties and phase relations of Zn-rich alloys in the system Pt–Zn
  43. Comparison of thermodynamic data of the ternary Cu–Sn–Zn system, measured with the EMF and with the calorimetric method
  44. Analysis of phase formation in Ni-rich alloys of the Ni–Ta–W system by calorimetry, DTA, SEM, and TEM
  45. Site preference, thermodynamic, and magnetic properties of the ternary Laves phase Ti(Fe1 – xAlx)2 with the crystal structure of the MgZn2-type
  46. Activity measurements on the Al-rich region of the Ni–Al system – A high temperature mass spectrometric study
  47. Metastable phases and nanocrystalline-forming ability (NFA) of melt-quenched Ni-rich (Zr, Hf)–Ni alloys
  48. AApplied
  49. Low temperature deposition with inductively coupled plasma
  50. Notifications/Mitteilungen
  51. Instructions for Authors
  52. Personal/Personelles
  53. Press/Presse
  54. Conferences/Konferenzen
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