Helium atoms in chromium-rich Fe-Cr alloys - Ab initio results

Journal of Nuclear Materials

Volumn 395, Issue 1-3, 2009, Pages 45-49

  Henriksson, K O E ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Chromium; Defects; Density functional theory; Helium

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; CONSTRUCTION MATERIALS; DEFECTS DENSITY; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ENERGY DIFFERENCES; FECR ALLOYS; FORMATION ENERGIES; HELIUM ATOM; HELIUM GENERATION; IRON ATOMS; MAGNETIC BEHAVIOR; PURE IRON; SECOND-NEAREST-NEIGHBOR; SMALL CONCENTRATION; TETRAHEDRAL SITES;

ALLOYS; APPROXIMATION THEORY; ATOMS; BINDING ENERGY; BINDING SITES; CHROMIUM; CHROMIUM ALLOYS; DENSITY FUNCTIONAL THEORY; FERROMAGNETIC MATERIALS; FERROMAGNETISM; NUCLEAR ENERGY; POTENTIAL ENERGY; RADIOACTIVITY; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

HELIUM;

EID: 70449697867     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2009.09.014     Document Type: Article

References (27)

1. Stoller R.E. J. Nucl. Mater. 174 (1990) 289
2. Trinkaus H., and Singh B. J. Nucl. Mater. 323 (2003) 229-242
3. Henriksson K.O.E., Nordlund K., and Keinonen J. Nucl. Instr. Meth. Phys. Res. B 244 (2006) 377-391
4. Seletskaia T., Osetsky Y., Stoller R.E., and Stocks G.M. Phys. Rev. Lett. 94 4 (2005) 046403
5. Fu C.-C., and Willaime F. Phys. Rev. B 72 (2005) 064117
6. Ventelon L., Wirth B., and Domain C. J. Nucl. Mater. 351 (2006) 119-132
7. Fu C.-C., and Willaime F. J. Nucl. Mater. 367-370 (2007) 244-250
8. Bloom E.E., Busby J.T., Duty C.E., Maziasz P.J., McGreevy T.E., Nelson B.E., Pint B.A., Tortorelli P.F., and Zinkle S.J. J. Nucl. Mater. 367-370 (2007) 1-10
9. Blöchl P.E. Phys. Rev. B 50 24 (1994) 17953-17979
10. Kresse G., and Hafner J. Phys. Rev. B 47 1 (1993) 558-561
11. Kresse G., and Hafner J. Phys. Rev. B 49 20 (1994) 14251-14269
12. Kresse G., and Furthmüller J. Comp. Mater. Sci. 6 (1996) 15-50
13. Kresse G., and Furthmüller J. Phys. Rev. B 54 16 (1996) 11169-11186
14. Kresse G., and Joubert D. Phys. Rev. B 59 3 (1999) 1758-1775
15. Perdew J.P., and Zunger A. Phys. Rev. B 23 10 (1981) 5048-5079
16. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 11 (1992) 6671-6687
17. Wang Y., and Perdew J.P. Phys. Rev. B 44 24 (1991) 13298-13307
18. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
19. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 12 (1976) 5188-5192
20. Methfessel M., and Paxton A.T. Phys. Rev. B 40 6 (1989) 3616-3621
21. Blöchl P.E., Jepsen O., and Andersen O.K. Phys. Rev. B 49 23 (1994) 16223-16233
22. Olsson P., Domain C., and Wallenius J. Phys. Rev. B 75 1 (2007) 014110
23. Domain C. J. Nucl. Mater. 351 (2006) 1-19
24. Hafner R., Spisak D., Lorenz R., and Hafner J. Phys. Rev. B 65 18 (2002) 184432
25. Capelle K., and Oliveira L.N. Phys. Rev. B 61 22 (2000) 15228-15240
26. Domain C., Becquart C.S., and Foct J. Phys. Rev. B 69 (2004) 144112
27. Seletskaia T., Osetsky Y.N., Stoller R.E., and Stocks G.M. J. Nucl. Mater. 351 (2006) 109-118