The core structure of dislocations and their relationship to the material γ-surface

Journal of Applied Physics

Volumn 115, Issue 13, 2014, Pages

  Hunter, A ^a   Zhang, R F ^b   Beyerlein, I J ^c  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b Iowa State University   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; ELECTRONIC STRUCTURE; PLATINUM;

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; DENSITY FUNCTIONALS; DISLOCATION DYNAMICS MODELS; EQUILIBRIUM CORE; FACE-CENTERED-CUBIC (FCC) METALS; INTRINSIC STACKING FAULT; INVERSE RELATIONSHIP; QUANTITATIVE AGREEMENT;

CALCULATIONS;

EID: 84898042749     PISSN: 00218979     EISSN: 10897550     Source Type: Journal    
DOI: 10.1063/1.4870462     Document Type: Article

References (45)

1. U. F. Kocks and H. Mecking, Prog. Mater. Sci. 48, 171 (2003). 10.1016/S0079-6425(02)00003-8
2. D. Hull and D. Bacon Introduction to Dislocations (Elsevier Butterworth-Heinemann, Oxford, 2001).
3. J. P. Hirth and J. Lothe Theory of Dislocations (Krieger Pub. Co., Florida, 1992).
4. G. Schoeck, Philos. Mag. Lett. 89, 505 (2009). 10.1080/09500830903092399
5. V. Yamakov, D. Wolf, M. Salazar, S. R. Phillpot, and H. Gleiter, Acta Mater. 49, 2713 (2001). 10.1016/S1359-6454(01)00167-7
6. G. Lu, V. V. Bulatov, and N. Kioussis, Phys. Rev. B 66, 144103 (2002). 10.1103/PhysRevB.66.144103
7. P. Szelestey, M. Patriarca, and K. Kaski, Modell. Simul. Mater. Sci. Eng. 11, 883 (2003). 10.1088/0965-0393/11/6/006
8. C. Woodward, D. R. Trinkle, L. G. Hector, Jr., and D. L. Olmsted, Phys. Rev. Lett. 100, 045507 (2008). 10.1103/PhysRevLett.100.045507
9. V. Vitek, Philos. Mag. 18, 773 (1968). 10.1080/14786436808227500
10. X. Z. Liao, S. G. Srinivasan, Y. H. Zhao, M. I. Baskes, and Y. T. Zhu, Appl. Phys. Lett. 84, 3564 (2004). 10.1063/1.1734689
11. S. G. Srinivasan, X. Z. Liao, M. I. Baskes, R. J. McCabe, Y. H. Zhao, and Y. T. Zhu. Phys. Rev. Lett. 94, 125502 (2005). 10.1103/PhysRevLett.94.125502
12. D. J. H. Cockayne, M. L. Jenkins, and I. L. F. Ray, Philos. Mag. 24, 1383 (1971). 10.1080/14786437108217419
13. H. Van Swygenhoven, P. M. Derlet, and A. G. Frøseth, Nature Mater. 3, 399 (2004). 10.1038/nmat1136
14. J. R. Rice, J. Mech. Phys. Solids 40, 239 (1992). 10.1016/S0022-5096(05) 80012-2
15. N. Bernstein and E. B. Tadmor, Phys. Rev. B 69, 094116 (2004). 10.1103/PhysRevB.69.094116
16. S. Kibey, J. B. Liu, M. J. Curtis, D. D. Johnson, and H. Sehitoglu, Acta Mater. 54, 2991 (2006). 10.1016/j.actamat.2006.02.048
17. A. Hunter, I. J. Beyerlein, T. C. Germann, and M. Koslowski, Phys. Rev. B 84, 144108-1 (2011). 10.1103/PhysRevB.84.144108
18. A. Hunter, R. F. Zhang, I. J. Beyerlein, T. C. Germann, and M. Koslowski, Modell. Simul. Mater. Sci. Eng. 21, 025015-1 (2013). 10.1088/0965-0393/21/2/ 025015
19. S. Banerjee, N. Ghoniem, G. Lu, and N. Kioussis, Philos. Mag. 87, 4131 (2007). 10.1080/14786430701528739
20. H. W. Sheng, M. J. Kramer, A. Cadien, T. Fujita, and M. W. Chen, Phys. Rev. B 83, 134118 (2011). 10.1103/PhysRevB.83.134118
21. G. Kresse and J. Furthmúller, Comp. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
22. G. Kresse and J. Furthmúller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
23. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
24. See supplementary material at http://dx.doi.org/10.1063/1.4870462 E-JAPIAU-115-059414 for additional elastic constants, γ-surface parameters, and VCDD results for nine fcc metals.
25. Z. H. Jin, S. T. Dunham, H. Gleiter, H. Hahn, and P. Gumbsch, Scr. Metall. 64, 605 (2011). 10.1016/j.scriptamat.2010.11.033
26. C. Shen and Y. Wang, Acta Mater 52, 683 (2004). 10.1016/j.actamat.2003. 10.014
27. A. Hunter and I. J. Beyerlein, APL Mater. 1, 032109 (2013). 10.1063/1.4820427
28. M. Koslowski, A. Cuitiño, and M. Ortiz, J. Mech. Phys. Solids 50, 2597 (2002). 10.1016/S0022-5096(02)00037-6
29. A. Hunter and M. Koslowski, J. Mech. Phys. Solids 56, 3181 (2008). 10.1016/j.jmps.2008.08.002
30. X. Wu, W. Shaofeng, and H. Zhang, Acta Mech. Solida Sin. 21, 403 (2008). 10.1007/s10338-008-0849-7
31. W. Hóllerbauer and H. P. Karnthaler, Beitr. Elek. Direkt. Oberfl. 14, 361 (1981).
32. R. Wang and Q. F. Fang, J. Alloys Compd. 310, 80 (2000). 10.1016/S0925-8388(00)00991-9
33. G. Lu, E. B. Tadmor, and E. Kaxiras, Phys. Rev. B 73, 024108 (2006). 10.1103/PhysRevB.73.024108
34. G. Lu, N. Kioussis, V. V. Bulatov, and E. Kaxiras, Mater. Sci. Eng A 309-310, 142 (2001). 10.1016/S0921-5093(00)01711-1
35. G. Schoeck, Mater. Sci. Eng. A 333, 390 (2002). 10.1016/S0921-5093(01) 01872-X
36. Y. Mishin, D. Farkas, M. J. Mehl, and D. A. Papaconstatopoulos, Phys. Rev. B 59, 3393 (1999). 10.1103/PhysRevB.59.3393
37. A. Y. Kuksin, V. V. Stegalov, and A. V. Yanilkin, Doklady Phys. 53, 287 (2008). 10.1134/S1028335808060013
38. R. Wang, S. Wang, and X. Wu, Phys. Scr. 83, 045604 (2011). 10.1088/0031-8949/83/04/045604
39. T. Shimokawa, T. Kinari, S. Shintaku, A. Nakatani, and H. Kitagawa, Modell. Simul. Mater. Sci. Eng. 13, 1217 (2005). 10.1088/0965-0393/13/8/002
40. T. J. Balk and K. J. Hemker, Mater. Sci. Eng. A 309-310, 108 (2001). 10.1016/S0921-5093(00)01622-1
41. C. S. Hartley and Y. Mishin, Mater. Sci. Eng. A 400-401, 18 (2005). 10.1016/j.msea.2005.03.076
42. A. Aslanides and V. Pontikis, Comput. Mater. Sci. 10, 401 (1998). 10.1016/S0927-0256(97)00109-2
43. S. Aubry and D. A. Hughes, Phys. Rev. B 73, 224116 (2006). 10.1103/PhysRevB.73.224116
44. M. Chen, E. Ma, K. J. Hemker, H. Sheng, Y. Wang, and X. Cheng, Science 300, 1275 (2003). 10.1126/science.1083727
45. M. McLean and H. Mykura, Acta Metall. 13, 376 (1965). 10.1016/0001-6160(65)90215-4