Study of spinodal decomposition and formation of nc-Al2O 3/ZrO2 nanocomposites by combined ab initio density functional theory and thermodynamic modeling

Acta Materialia

Volumn 59, Issue 9, 2011, Pages 3498-3509

  Sheng, S H ^a   Zhang, R F ^a   Veprek, S ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Ab initio calculation; Al2O3; Density functional theory; Spinodal phase segregation; ZrO2

Indexed keywords

AB INITIO CALCULATIONS; AL2O3; DENSITY FUNCTIONALS; SPINODALS; ZRO2;

ALUMINUM; CALCULATIONS; NANOCOMPOSITES; PHASE SEPARATION; SOLID SOLUTIONS; SOLIDIFICATION; SPINODAL DECOMPOSITION; ZIRCONIUM; ZIRCONIUM ALLOYS;

DENSITY FUNCTIONAL THEORY;

EID: 79954420709     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2011.02.023     Document Type: Article

References (54)

1. R.W. Rice Mechanical properties of ceramics and composites 2000 CRC Press Boca Raton, FL
2. P. Knauth, and J. Schoonman Nanocrystalline metals and oxides: selected properties and applications 2002 Kluwer Academic Publishers New York
3. G. Berg, C. Friedrich, E. Broszeit, and C. Berger R. Riedel, Handbook of ceramic hard materials 2000 Wiley-VCH Weinheim
4. M. strand, T.L. Selinder, F. Fietzke, and H. Klostermann Surf Coat Technol 188-189 2004 186
5. T. Kohara, H. Tamagaki, Y. Ikari, and H. Fuji Surf Coat Technol 185 2004 166
6. J. Ramm, M. Ante, T. Bachmann, B. Widrig, H. Brändle, and M. Döbeli Surf Coat Technol 202 2007 876
7. G. Jomard, T. Petit, A. Pasturel, L. Magaud, G. Kresse, and J. Hafner Phys Rev B 59 1999 4044
8. X.Y. Zhao, and D. Vanderbilt Phys Rev B 65 2002 075105
9. H. Klostermann, B. Böcher, F. Fietzke, T. Modes, and O. Zywitzki Surf Coat Technol 200 2005 760
10. Y. Jia, Y. Hotta, K. Sato, and K. Watari J Am Ceram Soc 89 2006 1103
11. K. Koski, J. Holsa, and P. Juliet Surf Coat Technol 120-121 1999 303
12. D.H. Trinh, H. Högberg, J.M. Andersson, M. Collin, I. Reineck, and U. Helmersson J Vac Sci Technol A 24 2006 309
13. D.H. Trinh, T. Kubart, T. Nyberg, M. Ottosson, L. Hultman, and H. Högberg Thin Solid Films 516 2008 8352
14. D.H. Trinh, M. Ottosson, M. Collin, I. Reineck, L. Hultman, and H. Högberg Thin Solid Films 516 2008 4977
15. R.F. Zhang, and S. Veprek Thin Solid Films 516 2008 2264
16. R.F. Zhang, and S. Veprek Mater Sci Eng A 448 2007 111
17. R.F. Zhang, and S. Veprek Acta Mater 55 2007 4615
18. S.H. Sheng, R.F. Zhang, and S. Veprek Acta Mater 56 2008 968
19. R.F. Zhang, S.H. Sheng, and S. Veprek Acta Mater 56 2008 4440
20. S.H. Sheng, R.F. Zhang, and S. Veprek Acta Mater 59 2011 297
21. O. Redlich, and A. Kister Ind Eng Chem 40 1948 345
22. G. Kaptay CALPHAD 28 2004 115
23. G. Kresse, and J. Hafner Phys Rev B 47 1993 558
24. G. Kresse, and J. Furthmüller Comput Mater Sci 6 1996 15
25. G. Kresse, and J. Furthmüller Phys Rev B 54 1996 11169
26. G. Kresse, and D. Joubert Phys Rev B 59 1999 1758
27. E. Blöchl Phys Rev B 50 1994 17953
28. J.P. Perdew, and Y. Wang Phys Rev B 45 1992 13244
29. M.L. Kronberg Acta Metall Mater 5 1957 507
30. W.E. Lee, and K.P.D. Lagerlof J Electron Microsc Tech 2 1985 247
31. W.D. Scott, and K.K. Orr J Am Ceram Soc 66 1983 27
32. J.S. Kasper, K. Lonsdale, International tables for X-ray crystallography vol. 1 1972 Kynoch Press Birmingham
33. H. d'Amour, H. Schiferl, W. Denner, H. Schulz, and W.B. Holzapfel J Appl Phys 49 1978 4411
34. K. Matsunaga, T. Tanaka, T. Yamamoto, and Y. Ikuhara Phys Rev B 68 2003 085110
35. E.V. Stefanovich, A.L. Shluger, and C.R.A. Catlow Phys Rev B 49 1994 11560
36. R.W.G. Wyckoff 2nd ed. Crystal structures vol. 1 1963 Wiley New York
37. H.Q. Shi, R. Asahi, and C. Stampfl Phys Rev B 75 2007 205125
38. K.P. Huber, and G. Herzberg Molecular spectra and molecular structure IV: constants of diatomic molecules 1979 Van Nostrand Reinhold New York
39. W.X. Li, C. Stampfl, and M. Scheffler Phys Rev B 65 2002 075407
40. J.P. Perdew, K. Burke, and M. Ernzerhof Phys Rev Lett 77 1996 3865
41. F.D. Murnaghan Proc Natl Acad Sci 30 1944 244
42. C.J. Howard, R.J. Hill, and B.E. Reichert Acta Crystallogr B 44 1988 116
43. M. Iuga, G. Steinle-Neumann, and J. Meinhardt Eur Phys J B 58 2007 127
44. S. Desgreniers, and K. Lagarec Phys Rev B 59 1999 8467
45. I. Barin Thermochemical data of pure substances 2nd ed. 1993 VCH-Verlag Weinheim
46. D.A. Jerebtsov, G.G. Mikhailov, and S.V. Sverdina Ceram Int 26 2000 821
47. S. Veprek J Nanosci Nanotechnol 11 2011 14 (Invited review)
48. A.S. Argon, and S. Yip Philos Mag Lett 86 2006 713
49. S. Veprek, and M.G.J. Veprek-Heijman Surf Coat Technol 201 2006 6064
50. R.F. Zhang, A.S. Argon, and S. Veprek Phys Rev Lett 102 2009 015503
51. R.F. Zhang, A.S. Argon, and S. Veprek Phys Rev B 79 2009 245426
52. R.F. Zhang, A.S. Argon, and S. Veprek Phys Rev B 81 2010 245418
53. S. Veprek, A.S. Argon, and R.F. Zhang Philos Mag Lett 87 2007 955
54. S. Veprek, and M.G.J. Veprek-Heijman Surf Coat Technol 202 2008 5063