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Thermal stability of coherent Pd/TiAl interfaces studied from first-principles calculations and experiments

  • F. Wang and H. R. Gong
Published/Copyright: June 11, 2013
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International Journal of Materials Research
From the journal International Journal of Materials Research Volume 103 Issue 10

Abstract

Both first-principles molecular-dynamics calculations and experimental observations reveal that the coherent Pd/TiAl interfaces with various orientations are all thermally stable after annealing at 773 K, which seems good for the lifetime of Pd/TiAl membranes. It is found that the bond strength of the Pd/TiAl interface at 773 K becomes slightly smaller than the corresponding value at 0 K, and the interface dipole formed at 773 K seems marginally smaller than that at 0 K. In addition, calculations also show that the bond lengths of Pd/TiAl interfaces after annealing at 773 K become oscillated due to thermal vibrations, which are quite different from those at 0 K.

Keywords: Thermal stability; Pd membranes; Interfaces; First principles calculations
1 Correspondence address: Prof. H. R. Gong, School of Materials Science and EngineeringNanChang HangKong UniversityNanChang, 330063China, Fax: 86-791-86453201, E-mail:

Refrences

[1]T.Mitsui, M.K.Rose, E.Fomin, D.F.Ogletree, M.Salmeron: Nature422 (2003) 705; Science 297 (2002) 1850. 12228712 10.1126/science.1075095Search in Google Scholar PubMed

[2]J.Rogal, K.Reuter, M.Scheffler: Phys. Rev. Lett.98 (2007) 046101. 10.1103/PhysRevLett.98.046101Search in Google Scholar PubMed

[3]A.Grosz, A.Dianat: Phys. Rev. Lett.98 (2007) 206107. 10.1103/PhysRevLett.98.206107Search in Google Scholar PubMed

[4]R.E.Buxbaum, T.L.Marker: J. Membr. Sci.85 (1993) 29. 10.1016/0376-7388(93)85004-GSearch in Google Scholar

[5]G.Xomeritakis, Y.S.Lin: J. Membr. Sci.133 (1997) 217. 10.1016/S0376-7388(97)00084-7Search in Google Scholar

[6]S.-J.Lee, S.-M.Yang, S.Bin: J. Membr. Sci.96 (1994) 223. 10.1016/0376-7388(94)00133-2Search in Google Scholar

[7]A.Li, W.Liang, R.Hughes: J. Membr. Sci.149 (1998) 259. 10.1016/S0376-7388(98)00192-6Search in Google Scholar

[8]Y.Huang, R.Dittmeyer: J. Membr. Sci.282 (2006) 296. 10.1016/j.memsci.2006.05.032Search in Google Scholar

[9]D.J.Edlund, J.McCarthy: J. Membr. Sci.107 (1995) 147. 10.1016/0376-7388(95)00110-XSearch in Google Scholar

[10]H.R.Gong, Y.H.He, B.Y.Huang: Appl. Phys. Lett.93 (2008) 101907. 10.1063/1.2970966Search in Google Scholar

[11]H.R.Gong: Intermetallics17 (2009) 562. 10.1016/j.intermet.2009.01.009Search in Google Scholar

[12]W.Sha, S.Malinov: Titanium alloys: Modelling of microstructure, properties and applications, Woodhead Publishing, Cambridge, UK (2009). 10.1063/1.2970966Search in Google Scholar

[13]G.Kresse, J.Hafner: Phys. Rev. B47 (1993) 558. 10.1103/PhysRevB.47.558Search in Google Scholar

[14]P.E.Blöchl: Phys. Rev. B50 (1994) 17953. 10.1103/PhysRevB.50.17953Search in Google Scholar

[15]G.Kresse, D.Joubert: Phys. Rev. B59 (1999) 1758. 10.1103/PhysRevB.59.1758Search in Google Scholar

[16]J.Perdew, A.Zunger: Phys. Rev. B23 (1981) 5048. 10.1103/PhysRevB.23.5048Search in Google Scholar

[17]W.Sha, X.Wu, K.G.Keong: Electroless copper and nickel-phosphorus plating: Processing, characterisation and modelling, Woodhead Publishing, Cambridge, UK (2011). 10.1533/9780857090966Search in Google Scholar

Received: 2011-10-2
Accepted: 2012-2-11
Published Online: 2013-06-11
Published in Print: 2012-10-01

© 2012, Carl Hanser Verlag, Munich

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https://doi.org/10.3139/146.110762
Keywords for this article
Thermal stability; Pd membranes; Interfaces; First principles calculations

Articles in the same Issue

  1. Contents
  2. Contents
  3. Original Contributions
  4. Phase equilibria in the Gd–Ni binary and Mg–Ni–Gd ternary systems
  5. Thermodynamics of dilute binary solid solutions using the cluster variation method
  6. Thermal stability of coherent Pd/TiAl interfaces studied from first-principles calculations and experiments
  7. Electropulsing-induced phase transformations and their effects on the single point diamond turning of a tempered alloy AZ91
  8. Study of the mechanism of ductile-regime grinding of SiCp/Al composites using finite element simulation
  9. Investigations on laser welding of magnesium alloys
  10. Investigation of the surface of a laser-treated cast iron cylinder bore
  11. Solidification behaviour of an AA5754 Al alloy ingot cast with high impurity content
  12. Study of the structural evolution of crystalline zinc oxide films prepared by PLD
  13. Effects of sintering temperature on pore characterization and strength of porous cordierite–mullite ceramics by a pore-forming in-situ technique
  14. Sol–gel synthesis of Eu3+, Tb3+ co-doped Y2O3 scintillating nanopowders
  15. Morphological study of SiC coating developed on 2D carbon composites using MTS precursor in a hot-wall vertical reactor
  16. Self-assembling behavior and corrosion inhibition properties of TDPA films on differently structured surfaces of 2024 and 1060 aluminum alloys
  17. Photocatalytic activity of MnWO4 powder in highly effective hydrogen generation from H2O and H2O2
  18. Rheology and microstructure of polymer-modified asphalt nanocomposites
  19. Short Communications
  20. Microstructure and phase composition in a die cast Mg–Nd alloy containing Zn and Zr
  21. DGM News
  22. DGM News
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