A first-principles study of dilute solutions of oxygen in titanium

Scripta Materialia

Volumn 59, Issue 12, 2008, Pages 1255-1258

  Boureau, G ^a,b   Capron, N ^a,b   Tetot R ^b  

^a SORBONNE UNIVERSITÉ   (France)

^b CNRS   (France)

Author keywords

Ab initio calculation; Interstitials; Oxidation; Thermodynamics; Titanium

Indexed keywords

ATOMIC PHYSICS; ATOMS; DISSOLUTION; PROBABILITY DENSITY FUNCTION; TITANIUM;

AB INITIO CALCULATION; INTERSTITIALS; OXIDATION; THERMODYNAMICS;

OXYGEN;

EID: 53249103050     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2008.08.040     Document Type: Article

References (14)

1. Matteazzi P. Mater. Sci. Forum 539 (2007) 2878
2. Tétot R., Picard C., Boureau G., and Gerdanian P. Adv. Ceram. 23 (1987) 455
3. Kresse G., and Hafner J. Phys. Rev. B 49 (1994) 14251
4. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
5. Capron N., Boureau G., Pasturel A., and Hafner J. J. Chem. Phys. 117 (2002) 1843
6. Capron N., and Boureau G. Int. J. Quantum Chem. 99 (2004) 677
7. Kaschnitz E., and Reiter P. Int. J. Thermophys. 23 (2002) 1339
8. Dechamps M., Quivy A., Baur G., and Lehr P. Scripta Metall. 11 (1977) 941
9. Lado-Tourino I., and Tsobnang F. Comput. Mater. Sci. 32 (2005) 13
10. Tétot R., Picard C., Boureau G., and Gerdanian P. J. Chem. Phys. 69 (1978) 326
11. Crocombette J.P., de Monestrol H., and Willaime F. Phys. Rev. B 66 (2002) 024114
12. Dubertret A. Métaux Corrosion Ind. 546 (1971) 87
13. Boureau G., and Campserveux J. Philos. Mag. 36 (1977) 9
14. Cobian M., Boureau G., Hafner J., and Kresse G. J. Chem. Phys. 123 (2005) 174705