Hydrogen effect on shearing and cleavage of Al: A first-principles study

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 10, 2011, Pages

  Apostol, F ^a   Mishin, Y ^a  

^a GEORGE MASON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80053618482     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.104103     Document Type: Article

References (25)

1. J. R. Rice, in Effect of Hydrogen on Behaviour of Materials, edited by, A. M. Thompson, and, I. M. Bernstein, (TMS-AIME, New York, 1976), p. 455.
2. P. Sofronis and I. M. Robertson, Philos. Mag. A PMAADG 0141-8610 10.1080/01418610208240451 82, 3405 (2002).
3. A. Pundt and R. Kirchheim, Annu. Rev. Mater. Res. ARMRCU 1531-7331 10.1146/annurev.matsci.36.090804.094451 36, 555 (2006). (Pubitemid 44478845)
4. Y. Mishin, P. Sofronis, and J. L. Bassani, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(02)00165-9 50, 3609 (2002). (Pubitemid 34813960)
5. A. Van der Ven and G. Ceder, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.060101 67, 060101(R) (2003).
6. A. Van der Ven and G. Ceder, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2003.11.007 52, 1223 (2004).
7. D. E. Jiang and E. A. Carter, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2004.06.037 52, 4801 (2004).
8. G. Lu, Q. Zhang, N. Kioussis, and E. Kaxiras, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.095501 87, 095501 (2001).
9. G. Lu, D. Orlikowski, I. Park, O. Politano, and E. Kaxiras, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.064102 65, 064102 (2002).
10. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
11. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
12. D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.41.7892 41, 7892 (1990).
13. G. Kresse and J. Hafner, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
14. 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 1098-0121 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
15. C. Wolverton, V. Ozoliņ, and M. Asta, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.144109 69, 144109 (2004).
16. M. Ji, C. Z. Wang, K. M. Ho, S. Adhikari, and K. R. Hebert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.024105 81, 024105 (2010).
17. M. Methfessel and A. T. Paxton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.3616 40, 3616 (1989).
18. H. Monkhorst and J. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
19. V. Vitek, Philos. Mag. JCOMEL 1478-6435 10.1080/14786436808227500 18, 773 (1968).
20. V. Vitek, Cryst. Lattice Defects 5, 1 (1974).
21. F. Apostol and Y. Mishin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.054116 83, 054116 (2011).
22. J. Hartford, B. von Sydow, G. Wahnström, and B. I. Lundqvist, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.2487 58, 2487 (1998).
23. J. R. Rice, J. Mech. Phys. Solids JMPSA8 0022-5096 10.1016/S0022-5096(05) 80012-2 40, 239 (1992).
24. J. R. Rice and J. S. Wang, Mater. Sci. Eng. A MSAPE3 0921-5093 10.1016/0921-5093(89)90372-9 107, 23 (1989).
25. R. Stumpf, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4454 78, 4454 (1997).