The first-principles design of ductile refractory alloys

JOM

Volumn 60, Issue 7, 2008, Pages 61-65

  Gao, Michael C ^a,d   Doğan, Ömer N ^a   King, Paul ^a   Rollett, Anthony D ^b   Widom, Michael ^c  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b CARNEGIE MELLON UNIVERSITY   (United States)

^c CARNEGIE MELLON UNIVERSITY   (United States)

^d Parsons   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; FORECASTING; HIGH TEMPERATURE APPLICATIONS; THERMODYNAMIC PROPERTIES;

CHROMIUM-BASED ALLOYS; COMPUTATIONAL APPROACH; ENERGY SYSTEMS; EXPERIMENTAL EVIDENCE; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION;

CHROMIUM ALLOYS;

EID: 48349146564     PISSN: 10474838     EISSN: 15431851     Source Type: Journal    
DOI: 10.1007/s11837-008-0092-1     Document Type: Article

References (32)

1. B.P. Bewlay et al., Metall. Mater. Trans. A, 34A (2003), pp. 2043-2052.
2. P. Jehanno et al., Metall. Mater. Trans. A, 36A (2005), p. 515-523.
3. Ö.N. Doǧan, Oxidation of Metals, 69 (2008), pp. 233-247.
4. W.D. Klopp, J. Metals, 21 (1969), pp. 23-32.
5. Y.F. Gu, H. Harada, and Y. Ro, JOM, 56 (9) (2004), pp.28-33.
6. M.J. Mehl et al., Phys, Rev. B, 41 (1990), pp. 10311-10323.
7. U.V. Waghmare et al., Model. Simul. Mater. Sci. Eng., 6 (1998), pp. 493-506.
8. W.T. Geng, Phys. Rev. B, 68 (2003), art. No. 233402.
9. N.I. Medvedeva, Y.N. Gornostyrev, and A.J. Freeman, Phys. Rev. B, 67 (2003), art. No. 134204.
10. L. Vitos, P.A. Korzhavyi, and B. Johansson, Nature Mater., 2 (2003), pp. 25-28.
11. M.C. Gao et al., Metall. Mater. Trans. A, 36A (2005), pp. 3269-3279.
12. C.B. Geller et al., Scripta Mater., 52 (2005), pp. 205-210.
13. S. Curtarolo, D. Morgan, and G. Ceder, CALPHAD, 29 (2005), pp. 163-211.
14. M.C. Gao, A.D. Rollett, and M. Widom, CALPHAD, 30 (2006), pp. 3411-348.
15. M.C. Gao, A.D. Rollett, and M. Widom, Phys. Rev. B, 75 (2007), art. No. 174120
16. M.C. Gao et al., Metall. Mater. Trans. A, 38A (2007), pp. 2540-2551.
17. S.F Pugh, Phil. Mag., 45 (1954), pp. 823-843.
18. A.H. Cottrell, Advances in Physical Metallurgy, ed. J.A. Charles and G.C. Smith (London: Institute of Metals, 1990), pp. 181-187.
19. J. Schroers and W.L. Johnson, Phys. Rev. Lett., 93 (2004), art. No. 255506.
20. J.J. Lewandowski, W.H. Wang, and A.L. Greer, Phil. Mag. Lett., 85 (2005), pp. 77-87.
21. T.B. Massalski et al., Binary Alloy Phase Diagrams (Materials Park, OH: ASM International, 1995).
22. G. Kresse and J. Hafner, Phys. Rev, B, 47 (1993), pp. 558-561.
23. G. Kresse and J. Furthmueller, Phys. Rev. B, 54 (1996), pp. 11169-11186.
24. P.E. Blöchl, Phys. Rev. B, 50 (1994), pp. 17953-17979.
25. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77 (1996), pp. 3865-3868.
26. A.V. Hershey, J. Appl. Mech., 21 (1954), pp. 236-240.
27. H. Kurishita, T. Kuwabara, and M. Hasegawa, Mat. Sci. Eng. A, 433 (2006), pp.32-38.
28. C.S. Wukusick, Refractory Metals and Alloys IV - Research and Development (New York: Gordon and Breach Science Publishers, 1967), pp. 231-245.
29. M.P. Brady et al., Scripta Mater., 52 (2005), pp. 815-819.
30. U. Holzwarth and H. Stamm, J. Nucl. Mater., 300 (2002), pp. 161-177.
31. M.P. Brady, private communications (2008).
32. J.R. Rice and R. Thomson, Phil. Mag., 19 (1974), pp. 73-97.