Crystal-melt interfacial free energies and mobilities in fcc and bcc Fe

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 17, 2004, Pages

  Sun, D Y ^a,c   Asta, M ^a   Hoyt, J J ^b  

^a Northwestern University   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

^c INSTITUTE OF SOLID STATE PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

IRON;

ANALYTIC METHOD; ANISOTROPY; ARTICLE; ATOM; ATOMIC POTENTIAL; BODY CENTERED CUBIC STRUCTURE; CALCULATION; CAPILLARY FLUCTUATION METHOD; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ENERGY; FACE CENTERED CUBIC STRUCTURE; INTERFACIAL FREE ENERGY; KINETIC COEFFICIENT; KINETICS; LIQUID; MODEL; MOLECULAR DYNAMICS; PHASE TRANSITION; SIMULATION; SOLID; SOLID LIQUID INTERFACE; SOLIDIFICATION; THERMODYNAMICS;

EID: 42749103103     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.174103     Document Type: Article

References (70)

1. W.J. Boettinger, S.R. Coriell, A.L. Greer, A. Karma, W. Kurz, M. Rappaz, and R. Trivedi, Acta Mater. 48, 43 (2000).
2. M.E. Glicksman and R.J. Schaefer, J. Cryst. Growth 1, 297 (1967).
3. G.H. Rodway and J.D. Hunt, J. Cryst. Growth 112, 554 (1991).
4. J.J. Hoyt, M. Asta, and A. Karma, Mater. Sci. Eng., R. 41, 121 (2003).
5. J.Q. Broughton and G.H. Gilmer, J. Chem. Phys. 84, 5749 (1986).
6. R.L. Davidchack and B.B. Laird, Phys. Rev. Lett. 85, 4751 (2000).
7. R.L. Davidchack and B.B. Laird, J. Chem. Phys. 118, 7651 (2003).
8. J.J. Hoyt, M. Asta, and A. Karma, Phys. Rev. Lett. 86, 5530 (2001).
9. J.J. Hoyt and M. Asta, Phys. Rev. B 65, 214106 (2002).
10. J.R. Morris, Phys. Rev. B 66, 144104 (2002).
11. M. Asta, J.J. Hoyt, and A. Karma, Phys. Rev. B 66, 100101(R) (2002).
12. J.R. Morris and X.Y. Song, J. Chem. Phys. 119, 3920 (2003).
13. D.Y. Sun, M. Asta, and J.J. Hoyt, Phys. Rev. B 69, 024108 (2004).
14. J.Q. Broughton, G.H. Gilmer, and K.A. Jackson, Phys. Rev. Lett. 49, 1496 (1982).
15. E. Burke, J.Q. Broughton, and G.H. Gilmer, J. Chem. Phys. 89, 1030 (1988).
16. H.L. Tepper and W.J. Briels, J. Cryst. Growth 230, 270 (2001).
17. H.L. Tepper and W.J. Briels, J. Chem. Phys. 115, 9434 (2001).
18. H.L. Tepper and W.J. Briels, J. Chem. Phys. 116, 5186 (2002).
19. W.J. Briels and H.L. Tepper, Phys. Rev. Lett. 79, 5074 (1997).
20. J.J. Hoyt, B. Sadigh, M. Asta, and S.M. Foiles, Acta Mater. 47, 3181 (1999).
21. J.J. Hoyt, M. Asta, and A. Karma, Interface Sci. 10, 149 (2002).
22. F. Celestini and J.-M. Debierre, Phys. Rev. E 65, 041605 (2002).
23. C.J. Tymczak and J.R. Ray, Phys. Rev. Lett. 64, 1278 (1990).
24. C.J. Tymczak and J.R. Ray, J. Chem. Phys. 92, 7520 (1990).
25. J. Bragard, A. Karma, Y.H. Lee, and M. Plapp, Interface Sci. 10, 121 (2002).
26. R.E. Cech, Trans. AIME 206, 535 (1956).
27. G. Ghosh, Mater. Sci. Eng., A 189, 277 (1994).
28. T. Volkmann, W. Löser, and D.M. Herlach, Metall. Mater. Trans. A 28A, 453 (1997).
29. A. Zambon, B. Badan, K. Eckler, F. Gärtner, A.F. Norman, A.L. Greer, D.M. Herlach, and E. Ramous, Acta Mater. 46, 4657 (1998).
30. M. Li, Z. Lin, G. Song, G. Yang, and Y. Zhou, Mater. Sci. Eng., A 268, 90 (1999).
31. D.M. Herlach, J. Phys.: Condens. Matter 13, 7737 (2001).
32. A.L. Greer and I.T. Walker, J. Non-Cryst. Solids 317, 78 (2003).
33. C. Notthoff, B. Feuerbacker, H. Franz, D.M. Herlach, and D. Holland-Moritz, Phys. Rev. Lett. 86, 1038 (2001).
34. P.R. ten Wolde, M.J. Ruiz-Montero, and D. Frenkel, Phys. Rev. Lett. 75, 2714 (1995).
35. Y.C. Shen and D.W. Oxtoby, Phys. Rev. Lett. 77, 3585 (1996).
36. D.Y Sun, M. Asta, J.J. Hoyt, M.I. Mendelev, and D.J. Srolovitz, Phys. Rev. B 69, 020102 (2004).
37. K. Eckler, F. Gätner, H. Assadi, A.F. Norman, A.L. Greer, and D.M. Herlach, Mater. Sci. Eng., A 226-228, 410 (1997).
38. G.J. Ackland, D.J. Bacon, A.F. Calder, and T. Harry, Philos. Mag. A 75, 713 (1997).
39. M.I. Mendelev, S. Han, D.J. Srolovitz, G.J. Ackland, D.Y. Sun, and M. Asta, Philos. Mag. 83, 3977 (2003).
40. A.T. Dinsdale, CALPHAD: Comput. Coupling Phase Diagrams Thermochem. 15, 317 (1991).
41. G. Ghosh and G.B. Olson, Acta Mater. 50, 2655 (2002).
42. C. Hausleitner and J. Hafner, J. Phys.: Condens. Matter 1, 5243 (1989).
43. Q. Williams, R. Jeanloz, J. Bass, B. Svendsen, and T.J. Ahrens, Science 235, 181 (1987).
44. A.E. Carlsson, Solid State Phys. 43, 1 (1990).
45. J.R. Morris, C.Z. Wang, K.M. Ho, and C.T. Chan, Phys. Rev. B 49, 3109 (1994).
46. Smithells Metals Reference Book, 7th ed., edited by E.A. Brandes and G. B. Brook (Butterworth-Heinemann, Oxford, 1992).
47. H.C. Andersen, J. Chem. Phys. 72, 2384 (1980).
48. M. Parinello and A. Rahman, Phys. Rev. Lett. 45, 1196 (1981).
49. M. Parinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981).
50. M. Parinello and A. Rahman, J. Chem. Phys. 76, 2662 (1982).
51. S. Nosé, J. Chem. Phys. 81, 511 (1984); Mol. Phys. 52, 255 (1984).
52. S. Nosé, J. Chem. Phys. 81, 511 (1984); Mol. Phys. 52, 255 (1984).
53. W.G. Hoover, Phys. Rev. A 31, 1695 (1985); 34, 2499 (1986).
54. W.G. Hoover, Phys. Rev. A 31, 1695 (1985); 34, 2499 (1986).
55. M. P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1993).
56. F. Spaepen, Acta Metall. 23, 729 (1975).
57. F. Spaepen and R.B. Meyer, Scr. Metall. 10, 257 (1976).
58. C.V. Thompson, Ph.D. thesis, Harvard University, 1979.
59. B.B. Laird (private communication).
60. S. Auer and D. Frenkel, J. Phys.: Condens. Matter 14, 7667 (2002).
61. W. Löser, A. Garcia-Escorial, and B. Vinet, Int. J. Non-Equilib. Process. 11, 87 (1998).
62. O. Tomagnini, F. Ercolessi, S. Iarlori, F.D. Di Tolla, and E. Tosatti, Phys. Rev. Lett. 76, 1118 (1996).
63. E.T. Chen, R.N. Barnett, and U. Landman, Phys. Rev. B 40, 924 (1989).
64. H.E.A. Huitema, M.J. Vlot, and J.P. van der Eerden, J. Chem. Phys. 111, 4714 (1999).
65. M.E. Glicksman and N.B. Singh, J. Cryst. Growth 98, 277 (1989).
66. L.V. Mikheev and A.A. Chernov, J. Cryst. Growth 112, 591 (1991).
67. L.V. Mikheev and A.A. Chemov, Sov. Phys. JETP 65, 971 (1987).
68. W.J. Boettinger, S. R. Coriell, and R. Trivedi, in Rapid Solidification Processing, Principles and Technologies IV, edited by R. Mehrabian and P.A. Parrish (Claitor's, Baton Rouge, 1988), p. 13.
69. J.S. Langer, in Chance and Matter, Proceedings of the Lectures on the Theory of Pattern Formation, edited by J. Souletie, J. Vannimenus, and R. Stora, Session 46 (North Holland, Amsterdam, 1987), p. 629.
70. D. Kessler, J. Koplik, and H. Levine, Adv. Phys. 37, 255 (1988).