Segregated light elements at grain boundaries in niobium and molybdenum

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 22, 2003, Pages

  Janisch, Rebecca ^a   Elsässer, Christian ^a,b  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

^b FRAUNHOFER INSTITUTE FOR MECHANICS OF MATERIALS IWM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BORON; CARBON; HYDROGEN; MOLYBDENUM; NIOBIUM; NITROGEN; TANTALUM; TRANSITION ELEMENT; TUNGSTEN;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BINDING; DENSITY; ELECTRON; ENERGY; GEOMETRY; PHYSICS; THEORY;

EID: 0042706307     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.224101     Document Type: Article

References (45)

1. G.H. Campbell, W.E. King, S.M. Foiles, P. Gumbsch, and M. Rühle, in Structure and Properties of Interfaces in Materials, edited by W. A. T. Clark, U. Dahmen, and C. L. Bnat, MRS Symposia Proceedings No. 238 (Materials Research Society, Pittsburgh, 1992), p. 163.
2. F. Ernst, Mater. Sci. Eng., R. 14, 97 (1995).
3. T. Ochs, O. Beck, C. Elsässer, and B. Meyer, Philos. Mag. A 80, 351 (2000).
4. S. Nufer, A.G. Marinopoulos, T. Gemming, C. Elsässer, W. Kurtz, S. Köstlmeier, and M. Rühle, Phys. Rev. Lett. 86, 5066 (2001).
5. T. Ochs, C. Elsässer, M. Mrovec, V. Vitek, J. Belak, and J. Moriarty, Philos. Mag. A 80, 2405 (2000).
6. G.H. Campbell, S.M. Foiles, P. Gumbsch, M. Rühle, and W.E. King, Phys. Rev. Lett. 70, 449 (1993).
7. G.H. Campbell, J. Belak, and J.A. Moriarty, Acta Mater. 47, 3977 (1999).
8. G.H. Campbell, J. Belak, and J.A. Moriarty, Scr. Mater. 43, 659 (2000).
9. W. Sigle (unpublished).
10. A.G. Marinopoulos, V. Vitek, and A.E. Carlsson, Philos. Mag. A 72, 1311 (1995).
11. A. Paxton, J. Phys. D 29, 1689 (1996).
12. C. Elsässer, O. Beck, T. Ochs, and B. Meyer, in Microscopic Simulation of Interfacial Phenomena in Solids and Liquids, edited by S. R. Phillpot, P. D. Bristowe, D. G. Stroud, and J. R. Smith, MRS Symposia Proceedings No. 492 (Materials Research Society, Pittsburgh, 1998), p. 121.
13. R. Janisch, T. Ochs, A. Merkle, and C. Elsässer, in Multiscale Phenomena in Materials—Experiments and Modeling, edited by D. H. Lassila, I. M. Robertson, R. Phillips, and B. Devincre, MRS Symposia Proceedings No. 578 (Materials Research Society, Pittsburgh, 2001), p. 405.
14. A. Kumar and L.B. Eyre, Proc. R. Soc. London, Ser. A 370, 431 (1980).
15. A.S. Drachinskiy, A.V. Kraynikov, and V.N. Slyunyayev, Phys. Met. Metallogr. 70, 100 (1990).
16. K. Hiratsuka, K. Watanabe, I. Hashimoto, and H. Yamaguchi, Philos. Mag. A 74, 465 (1996).
17. X. Wu, B. Hu, and Q. Zheng, Chin. Phys. Lett. 5, 157 (1987).
18. M. Hashimoto, Y. Ishida, S. Wakayama, R. Yamamoto, M. Doyama, and T. Fujiwara, Acta Metall. 32, 13 (1983).
19. R.P. Messmer and C.L. Briant, Acta Metall. 30, 457 (1981).
20. C.L. Briant and R.P. Messmer, Acta Metall. 32, 2043 (1984).
21. A.H. Cottrell, Mater. Sci. Technol. 6, 807 (1990).
22. W.T. Geng, A.J. Freeman, and G.B. Olson, Phys. Rev. B 63, 165415 (2001).
23. R. Wu, A.J. Freeman, and G.B. Olson, Phys. Rev. B 50, 75 (1994).
24. R. Wu, A.J. Freeman, and G.B. Olson, Phys. Rev. B 53, 7504 (1996).
25. L. Zhong, R. Wu, A.J. Freeman, and G.B. Olson, Phys. Rev. B 55, 11 133 (1997).
26. W.T. Geng, A.J. Freeman, R. Wu, C.B. Geller, and J.E. Raynolds, Phys. Rev. B 60, 7149 (1999).
27. W.T. Geng, A.J. Freeman, R. Wu, and G.B. Olson, Phys. Rev. B 62, 6208 (2000).
28. R.J. Rice and J.-S. Wang, Mater. Sci. Eng., A 107, 23 (1989).
29. W. A. Harrison, Electronic Structure and the Properties of Solids (Dover Publications, New York, 1989).
30. D.G. Pettifor, Sold State Phys. 40, 43 (1987).
31. F. Cyrot-Lackmann, J. Phys. Chem. Solids 29, 1235 (1968).
32. M.W. Finnis and J.E. Sinclair, Philos. Mag. A 50, 45 (1984).
33. C. Elsässer, N. Takeuchi, K.-M. Ho, C.T. Chan, P. Braun, and M. Fähnle, J. Phys.: Condens. Matter 2, 4371 (1990).
34. K.M. Ho, C. Elsässer, C.T. Chan, and M. Fähnle, J. Phys.: Condens. Matter 4, 5207 (1992).
35. B. Meyer, Doctoral thesis, Universität Stuttgart, 1998.
36. B. Meyer, C. Elsässer, and M. Fähnle, FORTRAN90 Program for Mixed-Basis Pseudopotential Calculations for Crystals (Max-Planck-Institut für Metallforschung, Stuttgart, 1998).
37. J. Moreno and J.M. Soler, Phys. Rev. B 45, 13 891 (1992).
38. D.G. Brandon, B. Ralph, S. Ranganathan, and M.S. Wald, Acta Metall. 12, 813 (1964).
39. Y. Itsumi and D.E. Ellis, J. Mater. Res. 11, 2206 (1996).
40. Y. Itsumi and D.E. Ellis, J. Mater. Res. 11, 2214 (1996).
41. M. Taheri, Mater. Sci. Eng. 32, 221 (1978).
42. L. Keys, Met. Forum 2, 164 (1979).
43. Gmelin Handbuch der Inorganischen Chemie (Verlag Chemie, Weinheim, 1969), Vol. A.
44. Gmelin Handbook of Inorganic Chemistry, (Springer Verlag, Berlin, 1985), Vol. Mo: Suppl. Vol. A2a.
45. Periodic Table of the Elements (Wiley-VCH, Weinheim, 1999).