Prediction of the kink-pair formation enthalpy on screw dislocations in α-iron by a line tension model parametrized on empirical potentials and first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 14, 2013, Pages

  Proville, Laurent ^a   Ventelon, Lisa ^a   Rodney, David ^b  

^a SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^b UNIV GRENOBLE ALPES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84877050021     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.87.144106     Document Type: Article

References (51)

1. L. P. Kubin, Rev. Deform. Behav. Mater. 1, 244 (1977).
2. D. Caillard and J. L. Martin, Thermally Activated Mechanisms of Crystal Plasticity (Pergamon, Amsterdam, 2003).
3. S. Ismail-Beigi and T. A. Arias, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.1499 84, 1499 (2000).
4. A. H. W. Ngan and M. Wen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.075505 87, 075505 (2001).
5. L. H. Yang, P. Soderlind, and J. A. Moriarty, Philos. Mag. A PMAADG 0141-8610 10.1080/01418610108214446 81, 1355 (2001).
6. S. L. Frederiksen and K. W. Jacobsen, Philos. Mag. 1478-6435 10.1080/0141861021000034568 83, 365 (2003).
7. J. Chaussidon, M. Fivel, and D. Rodney, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2006.03.044 54, 3407 (2006). (Pubitemid 44038467)
8. L. Ventelon, F. Willaime, and P. Leyronnas, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2008.12.053 386-388, 26 (2009).
9. C. Woodward and S. I. Rao, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.216402 88, 216402 (2002).
10. L. Ventelon and F. Willaime, J. Comput. Aided Mater. Des. JCODES 0928-1045 10.1007/s10820-007-9064-y 14, 85 (2007).
11. L. Ventelon and F. Willaime, Philos. Mag. 1478-6435 10.1080/ 14786431003668793 90, 1063 (2010).
12. E. Clouet, L. Ventelon, and F. Willaime, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.224107 84, 224107 (2011).
13. P. A. Gordon, T. Neeraj, Y. Li, and J. Li, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 10.1088/0965-0393/18/8/085008 18, 085008 (2010).
14. C. Domain and G. Monnet, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.215506 95, 215506 (2005). (Pubitemid 41777062)
15. L. Romaner, C. Ambrosch-Draxl, and R. Pippan, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.195503 104, 195503 (2010).
16. L. Proville, D. Rodney, and M.-C. Marinica, Nat. Mater. 1476-1122 10.1038/nmat3401 11, 845 (2012).
17. E. Orowan, Proc. Phys. Soc. PPSOAU 0370-1328 10.1088/0959-5309/52/1/303 52, 8 (1940).
18. A. Seeger and U. Holzwarth, Philos. Mag. 1478-6435 10.1080/ 14786430500531769 86, 3861 (2006). (Pubitemid 43970618)
19. J. E. Dorn and S. Rajnak, Trans. AIME 230, 1052 (1964).
20. J. Friedel, Dislocations (Pergamon, London, 1964).
21. A. Seeger and P. Schiller, in Physical Acoustics, edited by, W. Mason, (Academic, New York, 1966), Vol. 3A, p. 361.
22. A. Seeger, in Dislocation 1984, edited by, P. Veyssière, L. Kubin, and, J. Castaing, (CNRS, Paris, 1984).
23. J. P. Hirth and J. Lothe, Theory of Dislocations (Wiley, New York, 1982).
24. J. P. J. P. Hirth, T. Jossang, and J. Lothe, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1707791 37, 110 (1966).
25. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys. Condens. Matter. JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002). (Pubitemid 34288362)
26. P. Guyot and J. E. Dorn, Can. J. Phys. CJPHAD 0008-4204 10.1139/p67-073 45, 983 (1967).
27. S. B. Sinnott and S. W. Brenner, MRS Bull. MRSBEA 0883-7694 10.1557/mrs.2012.88 37, 469 (2012).
28. M. I. Mendelev, S. W. Han, D. J. Srolovitz, G. J. Ackland, D. Y. Sun, and M. Asta, Philos. Mag. 1478-6435 10.1080/14786430310001613264 83, 3977 (2003).
29. P. A. Gordon, T. Neeraj, and M. I. Mendelev, Philos. Mag. 1478-6435 10.1080/14786435.2011.597947 91, 3931 (2011).
30. M. Itakura, H. Kaburaki, and M. Yamaguchi, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2012.03.033 60, 3698 (2012).
31. D. J. Bacon, Y. N. Osetsky, and D. Rodney, in Dislocations in Solids, edited by, L. K. J. P. Hirth, (Elsevier, Amsterdam, 2008), p. 1.
32. D. Rodney, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.144108 76, 144108 (2007).
33. J. Frenkel and T. Kontorova, Phys. Z. Sowj. 13, 1 (1938)
34. J. Frenkel and T. Kontorova, [J. Phys. (Moscow) 1, 137 (1939)].
35. B. Joós, Solid State Comm. SSCOA4 0038-1098 10.1016/0038-1098(82) 90643-3 42, 709 (1982). (Pubitemid 12532148)
36. B. Joós and M. S. Duesbery, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.55.11161 55, 11161 (1997).
37. J. D. Eshelby, Proc. R. Soc. London, Ser. A 1364-5021 10.1098/rspa.1962.0058 266, 222 (1962).
38. K. Kanga, V. V. Bulatov, and W. Cai, Proc. Natl. Acad. Sci. USA 0027-8424 10.1073/pnas.1206079109 109, 15174 (2012).
39. D. Rodney and L. Proville, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.094108 79, 094108 (2009)
40. D. Rodney and J. Bonneville, in Physical Metallurgy, edited by, K. Hono, and, D. Laughlin, (Elsevier, Amsterdam, 2013).
41. R. Gröger and V. Vitek, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2008.07.027 56, 5426 (2008).
42. L. Pizzagalli, A. Pedersen, A. Arnaldsson, H. Jónsson, and P. Beauchamp, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.064106 77, 064106 (2008).
43. R. Gröger and V. Vitek, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 10.1088/0965-0393/20/3/035019 20, 035019 (2012).
44. L. Ventelon, E. Clouet, F. Willaime, and D. Rodney, Acta Mater. (in press).
45. H. Jónsson, G. Mills, and K. Jacobsen, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by, G. C. B. J. Berne, and, D. F. Coker, (World Scientific, Singapore, 1998), p. 385.
46. G. Henkelman, G. Jóhannesson, and H. Jónsson, in Progress on Theoretical Chemistry and Physics (Kluwer, Dordrecht, 2000), p. 269.
47. D. Brunner and J. Diehl, Phys. Status Solidi A PSSABA 0031-8965 10.1002/pssa.2211240114 124, 155 (1991).
48. D. Brunner and J. Diehl, Phys. Status Solidi A PSSABA 0031-8965 10.1002/pssa.2211240210 124, 455 (1991).
49. M. Peyrard and T. Dauxois, Physics of Solitons (Cambridge University Press, Cambridge, 2006).
50. D. Caillard, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2010.02.024 58, 3504 (2010).
51. A. D. Brailsford, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1658478 41, 4439 (1970).