Structural characterization of Mg65Cu25Y10 metallic glass from ab initio molecular dynamics

Computational Materials Science

Volumn 44, Issue 2, 2008, Pages 802-806

  Gao, R ^a   Hui, X ^a   Fang, H Z ^a   Liu, X J ^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

Ab initio molecular dynamics; Coordination number; Mg based BMG; Pair correlation function; Structure factor

Indexed keywords

AMORPHOUS ALLOYS; ATOMIC PHYSICS; ATOMS; COPPER; COPPER ALLOYS; CORRELATION METHODS; DYNAMICS; LIQUID METALS; MAGNESIUM PRINTING PLATES; METALLIC GLASS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS; COORDINATION NUMBER; MG-BASED BMG; PAIR CORRELATION FUNCTION; STRUCTURE FACTOR;

ALLOYS;

EID: 55649124326     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.05.031     Document Type: Article

References (18)

1. Park E.S., Kang H.G., Kim W.T., and Kim D.H. J. Non-Cryst. Solids 279 (2001) 154
2. Men H., Hu Z.Q., and Xu J. Scripta Mater. 46 (2002) 699
3. Zheng Q., Ma H., Ma En., and Xu J. Scripta Mater. 55 (2006) 541
4. Ma H., Ma E., and Xu J. J. Mater. Res. 18 (2003) 2288
5. Park E.S., and Kim D.H. J. Mater. Res. 20 (2005) 1465
6. Kim S.G., Inoue A., and Masumoto T. Mater. Trans. JIM 31 (1990) 929
7. Ren Y.L., Zuo J.H., Qiu K.Q., Zhang H.F., and Hu Z.Q. Intermetallics 12 (2004) 1205
8. Men H., Kim W.T., and Kim D.H. J. Non-Cryst. Solids 337 (2004) 29
9. Car R., and Parrinello M. Phys. Rev. Lett. 55 (1985) 2471
10. Amiya K., and Inoue A. Mater. Trans. JIM 41 (2000) 1460
11. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
12. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
13. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
14. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
15. Takeuchi A., and Inoue A. Mater. Trans. JIM 46 (2005) 2817
16. Wang W.H., Dong C., and Sheck C.H. Mater. Sci. Eng. R 44 (2004) 45
17. Miracle D.B., Sanders W.S., and Senkov O.N. Philos. Mag. 83 (2003) 2409
18. Mattern N., Kühn U., Hermann H., Ehrenberg H., Neuefeind J., and Ecket J. Acta Mater. 50 (2002) 305