First-principles study of the mode-1 fracture of Fe-TiX interfaces (X=C,N)

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 9, 2008, Pages

  Jones, Travis E ^a   Sauer, Matt A ^a   Eberhart, Mark E ^a  

^a Department of Metallurgical and Materials Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 51749098409     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.092104     Document Type: Article

References (14)

1. J. R. Rice and R. Thomson, Philos. Mag. B 29, 73 (1974). 1364-2812
2. R. Wu, A. J. Freeman, and G. B. Olson, Science SCIEAS 0036-8075 10.1126/science.265.5170.376 265, 376 (1994).
3. M. E. Eberhart, R. M. Lantansion, and K. H. Johnson, Acta Metall. AMETAR 0001-6160 10.1016/0001-6160(85)90001-X 33, 1769 (1985).
4. G. M. Whiteside, Atomistics of Fracture (Plenum, New York, 1983), p. 337.
5. G. S. Hammond, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja01607a027 77, 334 (1955).
6. R. F. W. Bader, Atoms in Molecules: A Quantum Theory (Clarendon, Oxford, UK, 1990).
7. P. Hohenberg and W. Kohn, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.136.B864 136, B864 (1964).
8. G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
9. G. te Velde, F. M. Bickelhaupt, S. J. A. van Gisbergen, C. Fonseca Guerra, E. J. Baerends, J. G. Snijders, and T. Ziegler, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.1056 22, 931 (2001).
10. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
11. TECPLOT, Seattle, WA (http://www.tecplot.com).
12. T. Shishidou, J. H. Lee, Y. J. Zhao, A. J. Freeman, and G. B. Olson, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1556151 93, 6876 (2003).
13. S. V. Dudiy and B. I. Lundqvist, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.045403 64, 045403 (2001).
14. T. E. Jones, M. E. Eberhart, and D. P. Clougherty, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.017208 100, 017208 (2008).