Structure of and ion segregation to an alumina grain boundary: Implications for growth and creep

Journal of Materials Research

Volumn 23, Issue 5, 2008, Pages 1494-1508

  Milas, Ivan ^a,b   Hinnemann, Berit ^a,b,c   Carter, Emily A ^a,b  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c HALDOR TOPSØE A S   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; CREEP RESISTANCE; DENSITY FUNCTIONAL THEORY; GRAIN BOUNDARIES; THERMAL BARRIER COATINGS; TRANSITION METALS;

CREEP KINETICS;

ALUMINA;

EID: 44649094585     PISSN: 08842914     EISSN: None     Source Type: Journal    
DOI: 10.1557/jmr.2008.0188     Document Type: Article

References (59)

1. N.P. Padture, M. Gell, and E.H. Jordan: Materials science - Thermal barrier coatings for gas-turbine engine apptications. Science 296, 280 (2002).
2. G.W. Goward: Progress in coatings for gas turbine airfoils. Surf. Coat. Technol. 108-109, 73 (1998).
3. A.G. Evans, D.R. Mumm, J.W. Hutchinson, G.H. Meier, and F.S. Petit: Mechanisms controlling the durability of thermal-barrier coatings. Prog. Mater. Sci. 46, 55 (2001).
4. 3. Oxid. Met. 39, 167 (1993).
5. 3 doping. J. Mater. Sci. 30, 201 (1995).
6. 3. 2. Oxygen diffusion in 'undoped' single crystals. Philos. Mag. A 73, 899 (1996).
7. 3. Philos. Mag. A 73, 919 (1996).
8. 3. 4. Oxygen grain-boundary self-diffusion in undoped and yttria-doped alumina polycrystals. Philos. Mag. A 73, 935 (1996).
9. 3 below 1000 °C - Measurements and molecular dynamics calculation. Philos. Mag. Lett. 84, 781 (2004).
10. P. Fielitz, G. Borchardt, M. Schmucker, H. Schneider, and P. Willich: Measurement of oxygen grain-boundary diffusion in mullite ceramics by SIMS depth profiling. J. Am. Ceram. Soc. 87, 2232 (2004).
11. J.H. Harding, K.J.W. Atkinson, and R.W. Grimes: Experiment and theory of diffusion in alumina. J. Am. Ceram. Soc. 86, 554 (2003).
12. 3 and liquid alumina. Phys. Rev. B 69, 024302 (2004).
13. J. Carrasco, N. Lopez, and F. Illas: First principles analysis of the stability and diffusion of oxygen vacancies in metal oxides. Phys. Rev. Lett. 93, 225502 (2004).
14. Y. Oishi and W.D. Kingery: Self-diffusion of oxygen in single crystal and polycrystalline aluminum oxide. J. Chem. Phys. 33, 480 (1960).
15. 3 as determined from electrical-conductivity measurements. J. Am. Ceram. Soc. 57, 250 (1974).
16. B.A. Pint: Experimental observations in support of the dynamic-segregation theory to explain the reactive-element effect. Oxid. Metal. 45, 1 (1996).
17. I.G. Wright and B.A. Pint: Bond coating issues in thermal barrier coatings for industrial gas turbines. Proc. IMechE 219, 101 (2005).
18. J. Cho, C.M. Wang, H.M. Chan, J.M. Rickman, and M.P. Harmer: Grain boundary chemistry and creep resistance of oxide ceramics. Acta Mater. 47, 4197 (1999).
19. P.Y. Hou: Impurity effects on alumina scale growth. J. Am. Ceram. Soc. 86, 660 (2003).
20. J.D. French, J. Zbao, M.P. Harmer, H.M. Chan, and G.A. Miller: Creep of duplex microstructures. J. Am. Ceram. Soc. 77, 2857 (1994).
21. J. Cho, M.P. Harmer, H.M. Chan, J.M. Rickman, and A.M. Thompson: Effect of yttrium and lanthanum on the tensile creep behavior of aluminum oxide. J. Am. Ceram. Soc. 80, 1013 (1997).
22. M. Rühle: Structure and composition of metal-ceramic interfaces. J. Eur. Ceram. Soc. 16, 353 (1996).
23. 3. J. Phys. Chem. Solids 55, 1067 (1994).
24. 3. Interface Sci. 12, 197 (2004).
25. 3. J. Am. Ceram. Soc. 77, 339 (1994).
26. 3. J. Am. Ceram. Soc. 77, 349 (1994).
27. 3. J. Am. Ceram. Soc. 79, 627 (1996).
28. 3 determined by spatially resolved valence electron energy-loss spectroscopy. J. Phys. D: Appl. Phys. 29, 1751 (1996).
29. 3: Ab-initio case study of segregation to the rhombohedral twin boundary. Acta Mater. 49, 2951 (2001).
30. 3: A model for a general grain boundary. Phys. Rev. B 64, 245117 (2001).
31. 3. Acta Mater. 51, 71 (2003).
32. J. Cho, J.M. Rickman, H.M. Chan, and M.P. Harmer: Modeling of grain-boundary segregation behavior in aluminum oxide. J. Am. Ceram. Soc. 83, 344 (2000).
33. P. Hohenberg and W. Kohn: Inhomogeneous electron gas. Phys. Rev. B 136, 864 (1964).
34. W. Kohn and L.J. Sham: Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133 (1965).
35. G. Kresse and J. Hafner: Ab initio molecular dynamics for open-shell transition-metals. Phys. Rev. B 48, 13115 (1993).
36. G. Kresse and J. Fürthmüller: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996).
37. G. Kresse and J. Fürthmüller: Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15 (1996).
38. P.E. Blöchl: Projector augmented-wave method. Phys. Rev. B 50, 17953 (1994).
39. G. Kresse and D. Joubert: From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758 (1999).
40. J.P. Perdew, K. Burke, and M. Erzerhof: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).
41. H.J. Monkhorst and J.D. Pack: Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188 (1976).
42. 3 (0001). J. Phys. Chem. C 111, 7105 (2007).
43. 3. Acta Mater. 50, 3453 (2002).
44. C.M. Wang, G.S. Cargill III, H.M. Chan, and M.P. Harmer: Structural features of Y-saturated and supersaturated grain boundaries in alumina. Acta Mater. 48, 2579 (2000).
45. I. Milas and E.A. Carter (unpublished).
46. +. J. Phys. Chem. 92, 2109 (1988).
47. T. Noguchi and M. Mizuno: Kogyo Kogaku Zasshi 70, 839 (1967).
48. 3 system. Calphad 29, 239 (2005).
49. 3 scale formation on NiCrAl alloys. Oxid. Met. 17, 429 (1982).
50. D. Bouchet, S. Lartigue-Korinek, R. Molins, and J. Thibault: Yttrium segregation and intergranular defects in alumina. Philos. Mag. A 86, 1401 (2006).
51. 2 impurities. Inter. Sci. 12, 335 (2004).
52. O.A. Ruano, J. Wadsworth, and O.D. Sherby: Deformation of fine-grained alumina by grain boundary sliding accommodated by slip. Acta Mater. 51, 3617 (2003).
53. J.N. Wang: An investigation of the deformation mechanism in grain size-sensitive newtonian creep. Acta Mater. 48, 1517 (2000).
54. K. Matsunaga, H. Nishimura, H. Muto, T. Yamamoto, and Y. Ikuhara: Direct measurements of grain boundary sliding in yttrium-doped alumina bicrystals. Appl. Phys. Lett. 82, 1179 (2003).
55. J.P. Buban, K. Matsunaga, J. Chen, N. Shibata, W.Y. Ching, T. Yamamoto, and Y. Ikuhara: Grain boundary strengthening in alumina by rare earth impurities. Science 311, 212 (2006).
56. 2. Acta Crystall. 12, 951 (1959).
57. Y. Repelin, C. Proust, E. Husson, and J.M. Beny: Vibrational spectroscopy of the c-form of yttrium sesquioxide. J. Solid State Chem. 118, 163 (1995).
58. L.W. Finger and R.M. Hazen: Crystal-structure and compression of ruby to 46 kbar. J. Appl. Phys. 49, 5823 (1978).
59. CRC Handbook of Chemistry and Physics, 79 ed., edited by D.R. Linde and H.P.R. Frederikse (CRC Press, Boca Raton, FL, 1999).