Strings and interstitials in liquids, glasses and crystals

Europhysics Letters

Volumn 71, Issue 4, 2005, Pages 625-631

  Nordlund, K ^a,b   Ashkenazy, Y ^b,c   Averback, R S ^b   Granato, A V ^b  

^a UNIVERSITY OF HELSINKI   (Finland)

^b University of Illinois at Urbana Champaign   (United States)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 23944490716     PISSN: 02955075     EISSN: None     Source Type: Journal    
DOI: 10.1209/epl/i2005-10132-1     Document Type: Article

References (27)

1. SCHOBERE. R., OLIGSCHLEGERC. and LAIRD B. B., J. Non-Cryst. Solids, 156-158 (1993) 965.
2. OLIGSCHLEGER C. and SCHOBER H. R., Phys. Rev. B, 59 (1999) 811.
3. KOB W., DONATI C., PLIMPTON S. J., POOLE P. H. and GLOTZER S. C., Phys. Rev. Lett., 79 (1997) 2827.
4. DONATI C. et al., Phys. Rev. Lett., 80 (1998) 2338.
5. DONATI C., GLOTZER S. C., POOLE P. H., KOB W. and PLIMPTON S. J., Phys. Rev. E, 60 (1999) 3107.
6. GLOTZER S. C. and DONATI C., J. Phys. F, 11 (1999) A285.
7. GOETZE W. and SJOEGREN, Rep. Prog. Phys., 55 (1992) 241.
8. ADAM G. and GIBBS J. H., J. Chem. Phys., 43 (1965) 139.
9. GRANATO A. V., Phys. Rev. Lett., 68 (1992) 974.
10. NORDLUND K. and AVERBACK R. S., Phys. Rev. Lett., 80 (1998) 4201.
11. GRANATO A. V., J. Phys. Chem. Solids, 55 (1994) 931.
12. EHMLER H., HEESEMANN A., RÄTZKE K., FAUPEL F. and GEYER U., Phys. Rev. Lett., 80 (1998) 4919.
13. BÖHMER R. et al., J. Non-Cryst. Solids, 235-237 (1998) 1.
14. ZÖLLMER V., RÄTZKE K., FAUPEL F., REHMET A. and GEYER U., Phys. Rev. B, 65 (2002) 220201 (R).
15. FAUPEL F. et al., Rev. Mod. Phys., 75 (2003) 237, and references therein.
16. EHRHART P., in Properties and Interactions of Atomic Defects in Metals and Alloys, Landolt-Börnstein, New Series III, edited by ULLMAIER H., Vol. 25 (Springer, Berlin) 1991, Chapt. 2, p. 88.
17. DAW M. S., FOILES S. M. and BASKES M. I., Mater. Sci. Engr. Rep., 9 (1993) 251.
18. BERENDSEN H. J. C., POSTMA J. P. M., VAN GUNSTEREN W. F., DINOLA A. and HAAK J. R., J. Chem. Phys., 81 (1984) 3684.
19. SABOCHICK M. J. and LAM N. Q., Phys. Rev. B, 43 (1991) 5243.
20. GLOTZER S. C., J. Non-Cryst. Solids, 274 (2000) 342.
21. The only reason for using more than one interstitial in this case was simply that this is the easiest way to obtain statistically significant results.
22. In the simulations with high interstitial concentrations, we encountered the practical problem that in large cells the interstitials clustered into extra atom planes, which complicated the analysis. Hence for large interstitial concentrations and cells we introduced artificial constraints which prevented atom clustering but did not affect normal vibrations or the potential energy. In cases where clustering did not occur, the results of constrained and non-constrained simulations were in good agreement.
23. Amorphous Cu samples were made by quenching liquid Cu from 1600 K to 10 K at a rate of 100 K/ps and initial pressure of 1 kbar. This procedure and sample size (90000 atoms) was chosen in order to ensure that we indeed have a stable amorphous sample.
24. DELAYE J. M. and LIMOGE Y., J. Phys. I, 3 (1993) 2063.
25. GEBREMICHAEL Y., VOGEL M. and GLOTZER S., J. Chem. Phys., 120 (2004) 4415.
26. HOLDER J., GRANATO A. V. and REHN L. E., Phys. Rev. Lett., 32 (1974) 1054.
27. Since our potential yields a lower formation enthalpy at low concentrations, a value somewhat less than 0.7 should be obtained in the amorphous phase.