Structural phase transitions in the Cu-based Cu-V solid solutions studied by molecular dynamics simulation

Journal of Alloys and Compounds

Volumn 366, Issue 1-2, 2004, Pages 205-212

  Shen, Y X ^a   Gong, H R ^a   Kong, L T ^a   Liu, B X ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Ab initio calculations; Cu V system; Embedded atom potential; Molecular dynamics simulation; Phase transitions

Indexed keywords

BINARY ALLOYS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; INTERDIFFUSION (SOLIDS); MECHANICAL ALLOYING; MOLECULAR DYNAMICS; PHASE TRANSITIONS; SOLUBILITY; STOICHIOMETRY; THERMAL EFFECTS;

AB INITIO CALCULATIONS; STRUCTURAL PHASE TRANSITIONS;

SOLID SOLUTIONS;

EID: 0742319166     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(03)00753-9     Document Type: Article

References (44)

1. F.R. deBoer, R. Boom, W.C.M. Mattens, A.R. Miedema, A.K. Niessen, Cohesion in Metals: Transition Metal Alloys, North-Holland, Amsterdam, 1989.
2. Li S., Dong Z.L., Latt K.M., Park H.S., White T. Appl. Phys. Lett. 80:2002;2296.
3. Latt K.M., Park H.S., Li S., Liu R., Osipowicz T., Zhu W.G., Lee Y.K. J. Matter. Sci. 37:2002;1941.
4. Lee H.J., Kwon K.W., Ryu C., Sinclair R. Acta Mater. 47:1999;3965.
5. Liu B.X., Zhang Z.J., Jin O., Pan F. Mater. Res. Soc. Symp. Proc. 396:1996;71.
6. Cullis A.G., Borders J.A., Hirvonen J.K., Poate J.M. Philos. Mag. B. 37:1978;615.
7. Nastasi M., Saris F.W., Hung L.S., Mayer J.W. J. Appl. Phys. 58:1985;3052.
8. Sakurai K., Yamada Y., Ito M., Lee C.H., Fukunaga T., Mizutani U. Appl. Phys. Lett. 57:1990;2660.
9. Kim J.H., Yoshioka H., Habazaki H., Kawashima A., Asami K., Hashimoto K. Mater. Sci. Eng. A. 156:1992;211.
10. Zeng F., Ding M., Zhao B., Pan F. Mater. Lett. 53:2002;40.
11. R.P. Elliott, Constitution of Binary Alloys, Suppl. 2, McGraw-Hill, New York, 1965.
12. Fukunaga T., Mori M., Inou K., Mizutani U. Mater. Sci. Eng. A. 134:1991;863.
13. Sakurai K., Mori M., Mizutani U. Phys. Rev. B. 46:1992;5711.
14. Baricco M., Battezzati L., Enzo S., Soletta I., Cocco G. Spectrochim. Acta. 49A:1993;1331.
15. Mizutani U., Lee C.H. Mater. Trans., JIM. 36:1995;210.
16. Hsieh H., Yip S. Phys. Rev. B. 39:1989;7476.
17. Zhang Q., Lai W.S., Liu B.X. Phys. Rev. B. 58:1998;14020.
18. Zhang Q., Lai W.S., Liu B.X. Phys. Rev. B. 61:2000;9345.
19. Liu J.B., Yang G.W., Liu B.X. Phys. Rev. B. 62:2000;11277.
20. Liu J.B., Liu B.X. Phys. Rev. B. 64:2001;54102.
21. Kong L.T., Liu J.B., Liu B.X. J. Phys. Soc. Jpn. 71:2002;141.
22. Kresse G., Hafner J. Phys. Rev. B. 47:1993;558.
23. Kresse G., Furthmuller J. Comput. Mater. Sci. 6:1996;15.
24. Kresse G., Furthmuller J. Phys. Rev. B. 54:1996;11169.
25. Vanderbilt D. Phys. Rev. B. 41:1990;7892.
26. Monkhorst H.J., Pack J.D. Phys. Rev. B. 13:1976;5188.
27. Perdew J.P., Wang Y. Phys. Rev. B. 45:1992;13244.
28. Daw M.S., Baskes M.I. Phys. Rev. Lett. 50:1983;1285.
29. Foiles S.M. Phys. Rev. B. 32:1985;3409.
30. Foiles S.M., Baskes M.I., Daw M.S. Phys. Rev. B. 33:1986;7983.
31. Cai J., Ye Y.Y. Phys. Rev. B. 54:1997;8389.
32. Johnson R.A., Oh D.J. J. Mater. Res. 4:1989;1195.
33. Guellil A.M., Adams J.B. J. Mater. Res. 7:1992;639.
34. C. Kittel, Introduction to Solid-State Physics, fifth ed., Wiley, New York, 1976.
35. C.J. Smith, Metal Reference Book, fifth ed., Butterworths, London, 1976.
36. Balluffi R.W. J. Nucl. Matter. 69-70:1978;240.
37. G. Simmons, H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook, second ed., MIT Press, Cambridge, MA, 1971.
38. Janot C., George B., Delcroix P. J. Phys. F. 12:1982;47.
39. Chen J.K., Farkas D., Reynolds W.T. Jr. Acta Mater. 45:1997;4415.
40. Heino P. Comput. Mater. Sci. 20:2001;157.
41. Gong H.R., Kong L.T., Lai W.S., Liu B.X. Phys. Rev. B. 66:2002;104204.
42. Shen Y.X., Kong L.T., Gong H.R., Lai W.S., Liu B.X. J. Phys. Soc. Jpn. 72:2003;464.
43. Parrinello M., Rahman A. J. Appl. Phys. 52:1981;7182.
44. Phillpot S.R., Yip S., Wolf D. Comput. Phys. 3:1989;20.