An ab initio study of the energetics for interfaces between group V transition metal carbides and bcc iron

ISIJ International

Volumn 46, Issue 10, 2006, Pages 1523-1531

  Chung, Soon Hyo ^a   Ha, Heon Phil ^a   Jung, Woo Sang ^a   Byun, Ji Young ^a  

^a Korea Institute of Science and Technology   (South Korea)

Author keywords

Ab intio calculation; bcc iron; Interface energy; Misfit strain energy; Transition metal carbides

Indexed keywords

CHEMICAL BONDS; STRAIN; TRANSITION METAL ALLOYS;

AB INTIO CALCULATION; BCC IRON; TRANSITION METAL CARBIDES;

INTERFACES (MATERIALS);

EID: 33845425043     PISSN: 09151559     EISSN: None     Source Type: Journal    
DOI: 10.2355/isijinternational.46.1523     Document Type: Article

References (26)

1. D. A. Porter and K. E. Easterling: Phase Transformation in Metals and Alloys, 2nd ed., Chapman & Hall, London, UK, ( 1992), 314.
2. J. D. Robson and H. K. D. H. Bhadeshia: Calphad, 20 (1996), 447.
3. N. Fujita and H. K. D. H. Bhadeshia: Mater. Sci. Technol., 17 (2001), 403.
4. N. Fujita and H. K. D. H. Bhadeshia: ISIJ Int., 42 (2002), 760.
5. N. Fujita, H. K. D. H. Bhadeshia and M. Kikuchi: Model. Simul. Mater. Sci. Eng., 12 (2004), 273.
6. J. Hald and L. Korcakova: ISU Int., 43 (2003), 420.
7. Z.-G. Yang and M. Enomoto: Mater. Sci. Eng., A332 (2002), 184.
8. F. R. de Boer, R. Boom, W. C. M, Mattens, A. R. Miedema and A. K. Niessen: Cohesion in Metals; Transition Metal Alloys, North-Holland, Amsterdam, (1988), 655.
9. J. Hartford: Phys. Rev. B, 61 (2000), 2221.
10. S. V. Dudiy and B. I. Lundqvist: Phys. Rev. B, 64 (2001), 045403.
11. M. Christensen, S. Dudiy and G. Wahnstroem: Phys. Rev. B, 65 (2002), 045408.
12. D. J. Siegel, L. G. Hector and J. B. Adams: Phys. Rev. B, 67 (2003), 092105.
13. S. V Dudiy and B. I. Lundqvist: Phys. Rev. B, 69 (2004), 125421.
14. J. P. Perdew: Electronic Structure of Solids, ed. by P. Ziesche and H. Eschrig, Akademie Verlag, Berlin, (1991), 11.
15. K. Laasonen, A. Pasquarello, R. Car, C. Lee and D. Vanderbilf. Phys. Rev. B, 47 (1993), 10142.
16. R. Benedeck, D. N. Seidman and C. Woodward: J. Phys. Condens. Matter, 14 (2002), 2877.
17. V. Fiorentini and M. Methfessel: J. Phys. Condens. Matter, 8 (1996), 6525.
18. Smithells Metals Reference Book, ed. by W. F. Gale and T. C. Totemeier, Elsevier, Amsterdam, (2004), 6-4, 6-23 and 15-2.
19. D. J. Siegel, L. G. Hector and J. B. Adams: Acta Mater., 50 (2002), 619.
20. T. Amriou, T. B. Bouhafs, H. Aourag, B. Khelifa, S. Bresson and C. Mathieu: Physica B, 325 (2005), 46.
21. M. Sahnoun, C. Daul, M. Driz, J. C. Parlebas and C. Demangeat: Comp. Mater. Sci., 33 (2005), 175.
22. K. Kobayashi: Surf. Sci., 493 (2001), 665.
23. M. Tagawa, T. Kawasaki, C. Oshima, S. Otani, K. Edamoto and A. Nagashima: Surf. Sci., 517 (2002), 59.
24. G. R. Gruzalski, D. M. Zehner, S. R. Noonan, H. L. Davis, R. A. Didio and K. Mueller: J. Vac. Sci. Technol., A7 (1989), 2054.
25. J. Haeglund, A. F. Guillermet, G. Grimvall and M. Koerling: Phys. Rev. B, 48 (1993), 11685.
26. S. V. Dudiy: Surf. Sci., 497 (2002), 171.