Stability and structures of the ε-phases of iron nitrides and iron carbides from first principles

Scripta Materialia

Volumn 64, Issue 3, 2011, Pages 296-299

  Fang, C M ^a,b   Van Huis, M A ^b,c   Zandbergen, H W ^b  

^a MATERIALS INNOVATION INSTITUTE M2I   (Netherlands)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^c UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Density functional theory calculations; Formation enthalpy; Iron nitrides and carbides; Precipitates in steels

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENTHALPY; HEXAGONAL CLOSE-PACKED; IRON CARBIDES; IRON NITRIDES; IRON NITRIDES AND CARBIDES; LATTICE PARAMETERS; STRUCTURAL RELATIONSHIP; SUB-LATTICES;

CARBIDES; ENTHALPY; NITRIDES;

DENSITY FUNCTIONAL THEORY;

EID: 78649323398     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2010.08.048     Document Type: Article

References (28)

1. K.H. Lo, C.H. Shek, and J.K.L. Lai Mater. Sci. Eng. R65 2009 39
2. L.J.E. Hofer, E.M. Cohn, and W.C. Peebles J. Am. Chem. Soc. 71 1949 189
3. M.O. Speidel J. Oct, A. Henry, Proceedings of the 1st International Conference on High Nitrogen Steels 1989 The Institute of Metals London 92 96
4. M. Fini, N. Nicoli Aldini, P. Torricelli, G. Giavaresi, V. Borsari, H. Lenger, J. Bernauer, R. Giardino, and A. Cigada Biomaterials 24 2003 4929
5. M. Tanelke, F. Abe, and K. Sawada Nature 424 2003 294
6. P. Jaques, Q. Furnémont, A. Mertens, and F. Deflannay Phil. Mag. 81 2001 1789
7. Q. Furnémont, M. Kempf, P.J. Jaques, M. Göken, and F. Delannay Mater. Sci. Eng., A 328 2002 26
8. L. Mazzoni-Leduc, T. Pardoen, and T.J. Massart Int. J. Solids Struct. 45 2008 5397
9. Y. Kimura, T. Inoue, F.X. Yin, and K. Tsuzaki Science 320 2008 1057
10. J.W. Morris Jr. Science 320 2008 1022
11. K.H. Jack Proc. Roy. Soc., A 195 1948 34
12. K.H. Jack Acta Cryst. 5 1952 404
13. T. Liapina, A. Leineweber, E.J. Mittemeijer, and W. Kockelmann Acta Mater. 52 2004 173
14. S. Nagakuri, and K. Tanehashi J. Phys. Soc. Jpn. 25 1968 840
15. A. Leineweber, H. Jacobs, F. Hüning, H. Lueken, and W. Kockelmann J. Alloy Compd. 316 2001 21
16. M.A.J. Somers, B.J. Kooi, L. Maldzinski, E.J. Mittemeijer, A.A. van der Horst, A.M. van der Kraan, and N.M. van der Pers Acta Mater. 45 1997 2013
17. B. Eck, R.D. Dronskowski, M. Takahashi, and S. Kikkawa J. Mater. Chem. 9 1999 1527
18. S.L. Shang, A.J. Böttger, and Z.K. Liu Acta Mater. 56 2008 719
19. S. Shang, A.J. Böttger, M.P. Steenvoorden, and M.W.J. Crajé Acta Mater. 54 2006 2407
20. R. Niewa, D. Rau, A. Wosylus, K. Meier, M. Hanfland, M. Wessel, R. Dronskowski, D.A. Dzivenko, R. Riedel, and U. Schwarz Chem. Mater. 21 2009 391
21. J.H. Jang, I.G. Kim, and H.K.D.H. Bhadeshia Scripta Mater. 63 2010 121
22. C.M. Fang, M.A. van Huis, and H.W. Zandbergen Scripta Mater. 63 2010 618
23. H.J. Goldschmidt J. Iron Steel I. 160 1948 345
24. C.M. Fang, M.H.F. Sluiter, M.A. van Huis, C.K. Ande, and H.W. Zandbergen Phys. Rev. Lett. 105 2010 055503
25. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
26. H.J. Monkhorst, and J.D. Pack Phys. Rev. B. 13 1976 5188
27. C.M. Fang, M.A. van Huis, and H.W. Zandbergen Phys. Rev. B 90 2009 224108
28. Handbook of Chemistry and Physics, 90th ed., CRC Press/Taylor & Francis, Boca Raton, FL, 2010, p. 77 (Section 9).