Molecular dynamics determination of the surface tension of silver-gold liquid alloys and the Tolman length of nanoalloys

Journal of Chemical Physics

Volumn 136, Issue 15, 2012, Pages

  Calvo, F ^a  

^a UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOYS; DROPS; GOLD; LIQUIDS; SURFACE TENSION;

EFFECTS OF TEMPERATURE; EMBEDDED-ATOM MODELS; GOLD CONCENTRATION; LIQUID ALLOY; MOLECULAR DYNAMICS SIMULATIONS; NANO-ALLOYS; NANOSCALE DROPLETS; NON-LINEAR VARIATION; PRESSURE TENSORS; PURE METALS; SIZE VARIATION; SOLUTION MODEL;

MOLECULAR DYNAMICS;

EID: 85010244160     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3701372     Document Type: Article

References (43)

1. I. Egry, E. Ricci, R. Novakovic, and S. Ozawa, Adv. Colloid Interface Sci. 159, 198 (2010). 10.1016/j.cis.2010.06.009
2. J. A. V. Butler, Proc. R. Soc. London, Ser. A 135, 348 (1932). 10.1098/rspa.1932.0040
3. M. S. Daw, and M. I. Baskes, Phys. Rev. B 29, 6443 (1984). 10.1103/PhysRevB.29.6443
4. S. M. Thompson, K. E. Gubbins, J. P. R. B. Walton, R. A. R. Chantry, and J. S. Rowlinson, J. Chem. Phys. 81, 530 (1984). 10.1063/1.447358
5. B. Sadigh, and G. Grimwall, Phys. Rev. B 54, 15742 (1996). 10.1103/PhysRevB.54.15742
6. E. B. Webb III and G. S. Grest, Phys. Rev. Lett. 86, 2066 (2001). 10.1103/PhysRevLett.86.2066
7. G. Grochola, S. P. Russo, I. Yarovsky, and I. K. Snook, J. Chem. Phys. 120, 3425 (2004). 10.1063/1.1637334
8. H. Y. Hou, G. L. Chen, G. Chen, and Y. L. Shao, Comput. Mater. Sci. 46, 516 (2009). 10.1016/j.commatsci.2009.04.001
9. B. Smit, A. G. Schlijper, L. A. M. Rupert, and N. M. van Os, J. Phys. Chem. 94, 6933 (1990). 10.1021/j100381a003
10. W. Yu, and D. Stroud, Phys. Rev. B 56, 12243 (1997). 10.1103/PhysRevB.56. 12243
11. B. J. Block, S. K. Das, M. Oettel, P. Virnau, and K. Binder, J. Chem. Phys. 133, 154702 (2010). 10.1063/1.3493464
12. A. E. van Giessen and E. M. Blokhuis, J. Chem. Phys. 131, 164705 (2009). 10.1063/1.3253685
13. J. C. Tolman, J. Chem. Phys. 17, 118 (1949). 10.1063/1.1747204
14. D. I. Zhukhovitskii, Russ. J. Phys. Chem. 75, 1043 (2001).
15. M. J. Haye and C. Bruin, J. Chem. Phys. 100, 556 (1994). 10.1063/1.466972
16. A. E. van Giessen and E. M. Blokhuis, J. Chem. Phys. 116, 302 (2002). 10.1063/1.1423617
17. L. Granas, J. Chem. Phys. 109, 9660 (1998). 10.1063/1.477634
18. K. Koga, X. C. Zeng, and A. K. Shchekin, J. Chem. Phys. 109, 4063 (1998). 10.1063/1.477006
19. M. P. Moody and P. Attard, Phys. Rev. Lett. 91, 056104 (2003). 10.1103/PhysRevLett.91.056104
20. V. G. Baidakov, G. Sh. Boltachev, and G. C. Chernykh, Phys. Rev. E 70, 011603 (2004). 10.1103/PhysRevE.70.011603
21. M. Tanaka, T. Noda, O. Sakata, H. Terauchi, and I. Takahashi, in Proceedings of the 8th Conference of the Asian Crystallographic Association (AsCA07), Taipei, 2007.
22. S. Masada, and S. Sawada, Eur. Phys. J. D 61, 637 (2011). 10.1140/epjd/e2011-10444-6
23. T. B. Massalski, J. L. Murray, L. H. Bernett, and H. Baker, Binary Alloy Phase Diagrams (American Society for Metals, Metals Park, OH, 1986), Vol. 1.
24. G. N. Derry, and R. Wan, Surf. Sci. 566-568, 862 (2004). 10.1016/j.susc.2004.06.022
25. I. Srnov-Sloufov, B. Vickova, Z. Bastl, and T. L. Hasslett, Langmuir 20, 3407 (2004). 10.1021/la0302605
26. K. Kim, K. L. Kim, J.-Y. Choi, H. B. Lee, and K. S. Shin, J. Phys. Chem. C 114, 3448 (2010). 10.1021/jp9112624
27. G. Bozzolo, J. E. Garcs, and G. N. Derry, Surf. Sci. 601, 2038 (2007). 10.1016/j.susc.2007.02.035
28. G. Rossi, R. Ferrando, A. Rapallo, A. Fortunelli, B. C. Curley, L. D. Lloyd, and R. L. Johnston, J. Chem. Phys. 122, 194309 (2005). 10.1063/1.1898224
29. F. P. Buff, J. Chem. Phys. 23, 419 (1955). 10.1063/1.1742005
30. A. Rapallo, G. Rossi, R. Ferrando, A. Fortunelli, B. C. Curley, L. D. Lloyd, G. M. Tarbuck, and R. L. Johnston, J. Chem. Phys. 122, 194308 (2005). 10.1063/1.1898223
31. F. Cleri, and V. Rosato, Phys. Rev. B 48, 22 (1993). 10.1103/PhysRevB.48. 22
32. F. Calvo, E. Cottancin, and M. Broyer, Phys. Rev. B 77, 121406(R) (2008). 10.1103/PhysRevB.77.121406
33. F. Calvo, J. Phys. Chem. C 115, 17730 (2011); 10.1021/jp205656m F. Calvo, J. Phys. Chem. C 116, 7607 (2012). 10.1021/jp302071a
34. B. D. Todd and R. M. Lynden-Bell, Surf. Sci. 281, 191 (1993). 10.1016/0039-6028(93)90868-K
35. J. H. Irving and J. G. Kirkwood, J. Chem. Phys. 18, 817 (1950). 10.1063/1.1747782
36. B. Hafskjold and T. Ikeshoji, Phys. Rev. E 66, 011203 (2002); 10.1103/PhysRevE.66.011203 T. Nakamura, W. Shinoda, and T. Ikeshoji, J. Chem. Phys. 135, 094106 (2011). 10.1063/1.3626410
37. R. A. van Santen and M. A. M. Boersma, J. Catal. 34, 13 (1974). 10.1016/0021-9517(74)90004-9
38. R. Bouwman, L. H. Toneman, M. A. M. Boersma, and R. A. van Santen, Surf. Sci. 59, 72 (1976). 10.1016/0039-6028(76)90292-2
39. R. C. Weast, Handbook of Chemistry and Physics, 61st ed. (CRC, Boca Raton, FL, 1980).
40. G. Bernard, and C. H. P. Lupis, Metall. Trans. 2, 555 (1971). 10.1007/BF02663348
41. J. G. Powles, R. F. Fowler, and W. A. B. Evans, Phys. Lett. A 98, 421 (1983). 10.1016/0375-9601(83)90253-0
42. F. Calvo, Faraday Discuss. 138, 75 (2008). 10.1039/b702732j
43. H. L. Lukas, S. G. Fries, and B. Sundman, Computational Thermodynamics, The Calphad Method (Cambridge University Press, Cambridge, 2007).