Structural evolution of Cu during rapid quenching by ab initio molecular dynamics

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 372, Issue 36, 2008, Pages 5831-5837

  Fang, H Z ^a   Hui, X ^a   Chen, G L ^a   Liu, Z K ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Atomic structure; Cu; First principle; Metallic glass; Rapid quenching

Indexed keywords

COPPER; CRYSTAL ATOMIC STRUCTURE; GLASS; LIQUIDS; METALLIC GLASS; RAPID QUENCHING;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; FIRST PRINCIPLES; MEAN SQUARE DISPLACEMENT; PAIR CORRELATION FUNCTIONS; STRUCTURAL EVOLUTION; STRUCTURAL TRANSITIONS; TETRAHEDRAL CLUSTERS;

MOLECULAR DYNAMICS;

EID: 49149122435     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2008.07.022     Document Type: Article

References (27)

1. Xu D.H., Duan G., and Johnson W.L. Phys. Rev. Lett. 92 (2004) 245504
2. Kim Y.C., Lee J.C., Cha P.R., Ahn J.P., and Fleury E. Mater. Sci. Eng. A 437 (2006) 248
3. Park E.S., and Kim D.H. Acta Mater. 54 (2006) 2597
4. Waseda Y. The Structure of Non-Crystalline Materials (1980), McGraw-Hill, New York
5. Zhang Y.N., Wang L., Morioka S., and Wang W.M. Phys. Rev. B 75 (2007) 014106
6. Holender J.M. Phys. Rev. B 41 (1990) 8054
7. Lee H.J., Cagin T., Johnson W.L., and Goddard W.A. J. Chem. Phys. 119 (2003) 9858
8. Car R., and Parrinello M. Phys. Rev. Lett. 55 (1985) 2471
9. de Wijs G.A., Kresse G., and Gillan M.J. Phys. Rev. B 57 (1998) 8223
10. Alfè D., Kresse G., and Gillan M.J. Phys. Rev. B 61 (2000) 132
11. Jakse N., and Pasturel A. J. Chem. Phys. 120 (2004) 6124
12. Ganesh P., and Widom M. Phys. Rev. B 74 (2006) 134205
13. Pasquarello A., Laasonen K., Car R., Lee C., and Vanderbilt D. Phys. Rev. Lett. 69 (1992) 1982
14. Jakse N., and Pasturel A. Phys. Rev. Lett. 91 (2003) 195501
15. Sheng H.W., Luo W.K., Alamgir F.M., Bai J.M., and Ma E. Nature 439 (2006) 419
16. Gu T.K., Qin J.Y., and Bian X.F. Appl. Phys. Lett. 91 (2007) 081907
17. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
18. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
19. Wang Y., and Perdew J.P. Phys. Rev. B 44 (1991) 13298
20. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
21. Kresse G., and Hafner J. J. Phys.: Condens. Matter 6 (1994) 8245
22. Nosé S. J. Chem. Phys. 81 (1984) 511
23. Cammarota C., and Cavagna A. J. Chem. Phys. 127 (2007) 214703
24. Shao G. J. Appl. Phys. 88 (2000) 4443
25. Inoue A. Acta Mater. 48 (2000) 279
26. Honeycutt J.D., and Andersen H.C. J. Phys. Chem. 91 (1987) 4950
27. Iida T., and Guthrie R.I.L. The Physical Properties of Liquid Metals (1988), Clarendon, Oxford