Vapor-liquid equilibria of copper using hybrid Monte Carlo Wang-Landau simulations

Fluid Phase Equilibria

Volumn 287, Issue 2, 2010, Pages 79-83

  Aleksandrov, T ^a   Desgranges, C ^a   Delhommelle, J ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

Author keywords

Copper; Critical properties; Embedded atom model; Hybrid Monte Carlo simulations; Molecular simulation; Vapor liquid equilibria; Wang Landau sampling

Indexed keywords

CRITICAL PROPERTIES; EMBEDDED-ATOM MODELS; HYBRID MONTE CARLO; MOLECULAR SIMULATIONS; VAPOR-LIQUID EQUILIBRIUM; WANG-LANDAU SAMPLING;

ATOMS; COPPER; LIQUIDS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PRESSURE; TEMPERATURE; VAPORS;

SIMULATORS;

EID: 70450225060     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2009.09.009     Document Type: Article

References (37)

1. March N.H. Liquid Metals (1990), Cambridge University Press, Cambridge
2. Lincoln R.C., Koliwad K.M., and Ghate P.B. Phys. Rev. 157 (1984) 463
3. Daw M.S., and Baskes M.I. Phys. Rev. B 29 (1984) 6443
4. Luo S.N., Ahrens T.J., Cagin T.A., Strachan W.A., Goddard W.A., and Swift D.C. Phys. Rev. B 68 (2003) 134206
5. Peng X., Cagin T., and Goddard W.A. J. Chem. Phys. 123 (2005) 104506
6. Desgranges C., and Delhommelle J. Phys. Rev. E 79 (2009) 052201
7. Desgranges C., and Delhommelle J. J. Chem. Phys. 128 (2008) 084506
8. Desgranges C., and Delhommelle J. Phys. Rev. B 76 (2007) 172012
9. Desgranges C., and Delhommelle J. J. Chem. Phys. 127 (2007) 144509
10. Desgranges C., and Delhommelle J. J. Am. Chem. Soc. 129 (2007) 7012
11. Desgranges C., and Delhommelle J. J. Phys. Chem C 113 (2009) 3607
12. Bhatt D., Jasper A.W., Schultz N.E., Siepmann J.I., and Truhlar D.G. J. Am. Chem. Soc. 128 (2006) 4224
13. Panagiotopoulos A.Z. Mol. Phys. (1987) 813
14. Chen B., and Siepmann J.I. J. Phys. Chem. B 104 (2000) 8725
15. Siepmann J.I., and Frenkel D. Mol. Phys. 75 (1992) 59
16. Esselink K., Loyens L.D.J.C., and Smit B. Phys. Rev. E 51 (1995) 1560
17. Wang F.G., and Landau D.P. Phys. Rev. E 64 (2001) 056101
18. Wang F.G., and Landau D.P. Phys. Rev. Lett. 86 (2001) 2050
19. Yan Q., Faller R., and de Pablo J.J. J. Chem. Phys. 116 (2002) 8745
20. Shell M.S., Debenedetti P.G., and Panagiotopoulos A.Z. Phys. Rev. E 119 (2002) 056703
21. Shell M.S., Debenedetti P.G., and Panagiotopoulos A.Z. J. Chem. Phys. 119 (2003) 9406
22. Gazenmuller G., and Camp P.J. J. Chem. Phys. 127 (2007) 154504
23. Duane S., Kennedy A.D., Pendleton B.J., and Roweth D. Phys. Lett. B 195 (1987) 216
24. Mehlig B., Heerman D.W., and Forrest B.M. Phys. Rev. B 45 (1992) 679
25. Desgranges C., and Delhommelle J. J. Chem. Phys. 130 (2009) 244109
26. Daw M.S., and Baskes M.I. Phys. Rev. Lett. 50 (1983) 1285
27. Sutton A.P., and Chen S. Philos. Mag. Lett. 61 (1990) 139
28. Allen M.P., and Tildesley D.J. Computer Simulation of Liquids (1987), Clarendon, Oxford p. 61
29. Ascarelli P., and Harrison R.J. Phys. Rev. Lett. 22 (1969) 385
30. Rowlinson J.S., and Swinton F.L. Liquids and Liquid Mixtures (1982), Butterworths, London
31. Delhommelle J., Boutin A., Tavitian B.A., Mackie A.D., and Fuchs A.H. Mol. Phys. 96 (1999) 1517
32. Delhommelle J., Tschirwitz C., Granucci G., Millie P., Pattou D., and Fuchs A.H. J. Phys. Chem. B 104 (2000) 4745
33. Stull D., and Gray D.E. American Institute of Physics Handbook. 3rd ed. (1972), McGraw Hill, New York
34. Singh J.K., Adhikari J., and Kwak S.K. Fluid Phase Equlibria 248 (2006) 1
35. Hess H. Z. Metallkd. 89 (1998) 388
36. Martynyuk M.M., and Panteleichuk O.G. High Temperature 14 (1976) 1201
37. Errington J.R. J. Chem. Phys. 118 (2003) 9915