Short-range order of liquid and undercooled metals: Ab initio molecular dynamics study

Journal of Non-Crystalline Solids

Volumn 353, Issue 32-40, 2007, Pages 3684-3688

  Jakse, Noël ^a   Bacq, Olivier Le ^a   Pasturel, Alain ^a,b  

^a Domaine Universitaire   (France)

^b CNRS   (France)

Author keywords

Ab initio; Liquid metals; Modeling and simulation; Molecular dynamics; Short range order; Structure; Transition metals

Indexed keywords

MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NEUTRON SCATTERING; PHASE EQUILIBRIA; TRANSITION METALS; UNDERCOOLING;

KASPER POLYHEDRA; MOLECULAR DYNAMICS SIMULATIONS (MD); SHORT-RANGE ORDER; UNDERCOOLED METALS;

LIQUID METALS;

EID: 34548607157     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2007.05.131     Document Type: Article

References (23)

1. Spaepen F. Nature 408 (2000) 781
2. Frank F.C. Proc. Roy. Soc. London A215 (1952) 43
3. Nelson D.R., and Spaepen F. In: Ehrenreich H., Seitz F., and Turnbull D. (Eds). Solid State Physics 42 (1989), Academic, New York 1
4. Cortella L., Vinet B., Desre P., Pasturel A., Paxton A.T., and van Schilfgaarde M. Phys. Rev. Lett. 70 (1993) 1469
5. Berne C., Pasturel A., Sluiter M., and Vinet B. Phys. Rev. Lett. 83 (1999) 1621
6. Schenk T., Holland-Moritz D., Simonet V., Bellissent R., and Herlach D.M. Phys. Rev. Lett. 89 (2002) 075507
7. Krishnan S., and Price D.L. J. Phys. Condens. Mat. 12 (2000) R145
8. Kelton K.F., Lee G.W., Gangopadhyay A.K., Hyers R.W., Rathz T.J., Rogers J.R., Robinson M.B., and Robinson D.S. Phys. Rev. Lett. 90 (2003) 195504
9. Steinhardt P.J., Nelson D.R., and Ronchetti M. Phys. Rev. B 28 (1983) 784
10. Jonsson H., and Andersen H.C. Phys. Rev. Lett. 60 (1988) 2295
11. Jakse N., and Pasturel A. J. Chem. Phys. 120 (2004) 6124
12. Jakse N., and Pasturel A. Phys. Rev. Lett. 91 (2003) 195501
13. Jakse N., Le Bacq O., and Pasturel A. Phys. Rev. B 70 (2004) 174203
14. Honeycutt J.D., and Andersen H.C. J. Phys. Chem. 91 (1987) 4950
15. Wand Y., and Perdew J.P. Phys. Rev. B 44 (1991) 13298
16. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
17. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
18. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
19. Stillinger F.H., and Weber T.A. Phys. Rev. A 25 (1982) 978
20. Kresse G., and Hafner J. Phys. Rev. B 48 (1993) 13115
21. Frank F.C., and Kasper J.S. Acta Crystallogr. 11 (1958) 184
22. Frank F.C., and Kasper J.S. Acta Crystallogr. 12 (1959) 483
23. Chathoth S.M., Meyer A., Koza M.M., and Juranyi F. Appl. Phys. Lett. 85 (2005) 5003