Cascade-driven mixing at metal oxide interfaces

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Volumn 268, Issue 19, 2010, Pages 3114-3116

  Valone, S M ^a   Uberuaga, B P ^a   Liu, X Y ^a   Jeon, B ^b   Chaudhry, A ^b   Gronbech Jensen N ^b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Insulators; Material interfaces; Molecular dynamics; Radiation effects

Indexed keywords

ATOMISTIC SIMULATIONS; CASCADE DAMAGE; ELECTRONIC STRUCTURE CALCULATIONS; FISSION TRACK; FLUORITE STRUCTURE; INSULATORS; LATTICE SPACING; MATERIAL INTERFACES; METAL OXIDE INTERFACE; MODEL SYSTEM; MOLECULAR DYNAMICS SIMULATIONS; ROCK-SALT STRUCTURE;

CERIUM COMPOUNDS; DEFECTS; ELECTRONIC STRUCTURE; HAFNIUM; HAFNIUM COMPOUNDS; MAGNESIA; MATERIALS; METALLIC COMPOUNDS; MOLECULAR DYNAMICS; OXYGEN; POSITIVE IONS; RADIATION EFFECTS;

PHASE INTERFACES;

EID: 77956176742     PISSN: 0168583X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.nimb.2010.05.066     Document Type: Conference Paper

References (21)

1. M. Osaka, S. Miwa, and Y. Tachi Ceram. Int. 32 2006 659
2. L.V. Woodcock, and K. Singer Trans. Faraday Soc. 67 1971 12
3. M.J.L. Sangster J. Phys. C: Solid State Phys. 14 1981 2889
4. G. Henkelman, B.P. Uberuaga, D.J. Duncan, J.H. Harding, and N.L. Allan Phys. Rev. B 72 2005 115437
5. R.W. Grimes, and C.R.A. Catlow Phil. Trans.: Phys. Sci. Engin. 335 1991 609
6. B. Jeon, and N. Grønbech-Jensen Comput. Phys. Commun. 180 2009 231
7. K.M. Beardmore, and N. Grønbech-Jensen Phys. Rev. E 57 1998 7278
8. W. Brandt, and Kitagawa Phys. Rev. B 25 1982 5631
9. D. Cai, N. Grønbech-Jensen, C.M. Snell, and K.M. Beardmore Phys. Rev. B 54 1996 17147
10. L.M. Kishinevskii Izv. Akad. Nauk. SSSR, Ser. Fiz. 26 1962 1410
11. Bull. Acad. Sci. USSR, Phys. Ser. 26 1962 1433
12. J.F. Ziegler, J.P. Biersack, and U. Littmark The Stopping Power of Ions in Solids 1985 Pergamon Press New York
13. S.J. Plimpton J. Comp. Phys. 117 1995 1 10 Oct. 2008 version
14. J. Echigoya J. Euro. Ceram. Soc. 25 2005 1381
15. X.-Y. Liu, B.P. Uberuaga, and K.E. Sickafus J. Phys.: Condens. Matter 21 2009 045403
16. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
17. G. Kresse, and J. Furthmüller J. Comput. Mater. Sci. 6 1996 15
18. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
19. R.F.W. Bader Acc. Chem. Res. 8 1985 9
20. J. Chem. Phys. 85 1986 3133
21. G. Henkelman, A. Arnaldsson, and H. Jónsson Comput. Mater. Sci. 36 2006 254