Molecular dynamics simulations of the crystal-melt interfacial free energy and mobility in Mo and V

Philosophical Magazine

Volumn 86, Issue 24, 2006, Pages 3651-3664

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

^a SANDIA NATIONAL LABORATORIES   (United States)

^b Northwestern University   (United States)

^c EAST CHINA NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; COMPUTATION THEORY; COMPUTER SIMULATION; CRYSTALLIZATION; CRYSTALLOGRAPHY; KINETIC THEORY; THERMODYNAMICS;

BCC METALS; CRYSTAL-MELT INTERFACES; DYNAMICS SIMULATIONS; TURNBULL COEFFICIENT;

MOLECULAR DYNAMICS;

EID: 33745136115     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786430500156625     Document Type: Review

References (63)

1. J.S. Langer, in Chance and Matter: Lectures on the Theory of Pattern Formation, edited by J. Souletie, J. Vannimenus and R. Stora (Les Mouches, North-Holland, Amsterdam, 1987), p. 629.
2. D. Kessler, J. Koplik and H. Levine, Adv. Phys. 37 255 (1988).
3. J. Bragard, A. Karma, Y.H. Lee et al., Interface Sci. 10 119 (2002).
4. M. Muschol, D. Liu and H.Z. Cummins, Phys. Rev. A 46 1038 (1992).
5. M.E. Glicksman and N.B. Singh, J. Cryst. Growth 98 277 (1989).
6. R.E. Napolitano, S. Liu and R. Trivedi, Interface Sci. 10 217 (2002).
7. S. Liu, R.E. Napolitano and R. Trivedi, Acta Mater. 49 4271 (2001).
8. R.E. Napolitano and S. Liu, Phys. Rev. B 70 214 103 (2004).
9. M.E. Glicksman and R.J. Schaefer, J. Cryst. Growth 1 297 (1967).
10. G.H. Rodway and J.D. Hunt, J. Cryst. Growth 112 554 (1991).
11. J.Q. Broughton and G.H. Gilmer, J. Chem. Phys. 84 5759 (1986).
12. R.L. Davidchack and B.B. Laird, Phys. Rev. Lett. 85 4751 (2000).
13. J.J. Hoyt, M. Asta and A. Karma, Phys. Rev. Lett. 86 5530 (2001).
14. J.J. Hoyt, M. Asta and A. Karma, Mater. Sci. Engng 41 121 (2003).
15. R.L. Davidchack and B.B. Laird, J. Chem. Phys. 118 7651 (2003).
16. J.R. Morris, J. Chem. Phys. 119 3920 (2002).
17. J.R. Morris, Phys. Rev. B 66 144 104 (2002).
18. J.J. Hoyt and M. Asta, Phys. Rev. B 65 214 106 (2002).
19. D.Y. Sun, M. Asta, J.J. Hoyt, et al., Phys. Rev. B 69 020 102 (2004).
20. D.Y. Sun, M. Asta and J.J. Hoyt, Phys. Rev. B 69 174 103 (2004).
21. M. Asta, J.J. Hoyt and A. Karma, Phys. Rev. B 66 100 101 (2002).
22. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 1285 (1983).
23. M.S. Daw and M.I. Baskes, Phys. Rev. B 29 6443 (1984).
24. M.S. Daw, S.M. Foiles and M.I. Baskes, Mater. Sci. Rep. 9 251 (1993).
25. D.H. Turnbull, J. Appl. Phys. 21 1022 (1950).
26. N. Eustathopoulos, Int. Metall. Rev. 28 189 (1983).
27. L. Granasy, T. Borzsonyi and T. Pusztai, Phys. Rev. Lett. 88 206 105 (2002).
28. D.Y. Sun, M. Asta and J.J. Hoyt, Phys. Rev. B 69 024 108 (2004).
29. H.E.A. Huitema, M.J. Vlot and J.P. van der Eerden, J. Chem. Phys. 111 4714 (1999).
30. L.V. Mikheev and A.A. Chernov, J. Cryst. Growth 112 591 (1991).
31. L.V. Mikheev and A.A. Chernov, Soviet Phys. JETP 65 971 (1987).
32. G. Gosh, Mater. Sci. Engng 189 277 (1994).
33. T. Volkmann, W. Loser and D.M. Herlah, Metall. Mater. Trans. A 28 453 (1997).
34. A. Zambom, B. Badan, K. Eckler, et al., Acta Mater. 46 4657 (1998).
35. M. Li, Z. Lin, G. Song, et al., Mater. Sci. Engng 268 90 (1999).
36. D.M. Herlach, J. Phys. Condens. Matter 13 7737 (2001).
37. A.L. Greer and I.T. Walker, J. Non-Crystalline Solids 317 78 (2003).
38. C. Notthoff, B. Feuerbacker, H. Franz, et al., Phys. Rev. Lett. 86 1038 (2001).
39. F. Spaepen, Acta Metall. 23 729 (1975).
40. F. Spaepen and R.B. Meyer, Scripta Metall. 10 257 (1976).
41. C.V. Thompson, Crystal Formation in Easy Glass-Forming Metallic Alloys, PhD thesis, Harvard Univerity (1982).
42. S.M. Foiles and J.B. Adams, Phys. Rev. B 41 3316 (1990).
43. R.A. Johnson and D.J. Oh, J. Mater. Res. 4 1195 (1989).
44. J.R. Morris, C.Z. Wang, K.M. Ho, et al., Phys. Rev. B 49 3109 (1994).
45. J.R. Morris and X.Y. Song, J. Chem. Phys. 116 9352 (2002).
46. P.-F. Paradis, T. Ishikawa and S. Yoda, Int. J. Thermophys. 23 555 (2002).
47. P.-F. Paradis, T. Ishikawa, T. Aoyama, et al., J. Chem. Thermodynamics 34 1929 (2002).
48. W.R. Fehlner and S.H. Vosko, Can. J. Phys. 54 2159 (1976).
49. J.J. Hoyt, M. Asta and A. Karma, Int. Sci. 10 149 (2002).
50. A.F. Voter and S.P. Chen, Characterization of Defects in Materials, Materials Research Society Symposiums Proceedings, Vol. 82, edited by R.W. Seigel, J.R. Weertman and R. Sinclair (Materials Research Society, Pittsburgh, PA, 1978), p. 175.
51. H.S. Lim, C.K. Ong and F. Ercolessi, Surf. Sci. 269-270 1109 (1992).
52. F. Ercolessi and J.B. Adams, Europhys. Lett. 26 583 (1994).
53. S.M. Foiles, M.I. Baskes and M.S. Daw, Phys. Rev. B 33 7983 (1986).
54. S.M. Foiles, Phys. Rev. B 32 7685 (1985).
55. G.J. Ackland, D.J. Bacon, A.F. Calder, et al., Phil. Mag. A 75 713 (1997).
56. M.I. Mendelev, S. Han, D.J. Srolovitz, et al., Phil. Mag. 83 3997 (2003).
57. R.L. Davidchack and B.B. Laird, Phys. Rev. Lett. 94 086 102 (2005).
58. H.A. Wilson, Phil. Mag. 50 238 (1990).
59. J. Frenkel, Phys. Z. Sowjetunion 1 498 (1932).
60. J.Q. Broughton, G.H. Gilmer and K.A. Jackson, Phys. Rev. Lett. 49 1496 (1982).
61. J.-P. Hansen and L. Verlet, Phys. Rev. 184 151 (1969).
62. D.H. Turnbull and B.G. Bagley, in Treatise on Solid State Chemistry, Vol. 5, edited by N.B. Hannay (Plenum, New York, 1975), p. 233.
63. J.J. Hoyt, M. Asta, D.Y. Sun, et al., In preparation (2005).