Density functional theory for crystal-liquid interfaces of Lennard-Jones fluid

Journal of Chemical Physics

Volumn 138, Issue 16, 2013, Pages

  Wang, Xin ^a   Mi, Jianguo ^a   Zhong, Chongli ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATTRACTIVE INTERACTIONS; DENSITY-FUNCTIONAL APPROACH; FIRST-ORDER MEAN-SPHERICAL APPROXIMATIONS; FUNDAMENTAL MEASURE THEORIES; HARD-SPHERE REPULSION; LIQUID-SOLID INTERFACES; NUCLEATION THERMODYNAMICS; THEORETICAL FRAMEWORK;

COMPUTER SIMULATION; FREE ENERGY; LIQUIDS; NUCLEATION; PHASE INTERFACES; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

ARTICLE; CHEMISTRY; LIQUID CRYSTAL; QUANTUM THEORY; THERMODYNAMICS;

LIQUID CRYSTALS; QUANTUM THEORY; THERMODYNAMICS;

EID: 84877272077     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4802633     Document Type: Article

References (45)

1. P. N. Pusey and W. Van Megen, Nature (London) 320, 340 (1986). 10.1038/320340a0
2. P. Wette, H. J. Schope, and T. Palberg, J. Chem. Phys. 123, 174902 (2005). 10.1063/1.2075047
3. D. M. Herlach, I. Klaasen, P. Wette, and D. Holland-Moritz, J. Phys.: Condens. Matter 22, 153101 (2010). 10.1088/0953-8984/22/15/153101
4. W. A. Tiller, The Science of Crystallization: Microscopic Interfacial Phenomena (Cambridge University Press, Cambridge, UK, 1991).
5. L. Filion, R. Ni, D. Frenkel, and M. Dijkstra1, J. Chem. Phys. 134, 134901 (2011). 10.1063/1.3572059
6. M. Chopra, M. Muller, and J. J. de Pablo, J. Chem. Phys. 124, 134102 (2006). 10.1063/1.2178324
7. E. B. Moore and V. Molinero, Nature (London) 479, 506 (2011). 10.1038/nature10586
8. T. Zykova-Timan, J. Horbach, and K. Binder, J. Chem. Phys. 133, 014705 (2010). 10.1063/1.3455504
9. P. Harrowell and D. W. Oxtoby, J. Chem. Phys. 80, 1639 (1984). 10.1063/1.446864
10. W. A. Curtin, Phys. Rev. B 39, 6775 (1989). 10.1103/PhysRevB.39.6775
11. Y. Rosenfeld, M. Schmidt, H. Löwen, and P. Tarazona, Phys. Rev. E 55, 4245 (1997). 10.1103/PhysRevE.55.4245
12. P. Tarazona, Phys. Rev. Lett. 84, 694 (2000). 10.1103/PhysRevLett.84.694
13. M. Oettel, S. Görig, A. Härtel, H. Löwen, M. Radu, and T. Schilling, Phys. Rev. E 82, 051404 (2010). 10.1103/PhysRevE.82.051404
14. H. Hansen-Goos and R. Roth, J. Phys.: Condens. Matter 18, 8413 (2006). 10.1088/0953-8984/18/37/002
15. K. R. Elder, M. Katakowski, M. Haataja, and M. Grant, Phys. Rev. Lett. 88, 245701 (2002). 10.1103/PhysRevLett.88.245701
16. K. R. Elder and M. Grant, Phys. Rev. E 70, 051605 (2004). 10.1103/PhysRevE.70.051605
17. H. Löwen, T. Beier, and H. Wagner, Europhys. Lett. 9, 791 (1989). 10.1209/0295-5075/9/8/009
18. H. Löwen, T. Beier, and H. Wagner, Z. Phys. B 79, 109 (1990). 10.1007/BF01387832
19. J. F. Lutsko, Physica A 366, 229 (2006). 10.1016/j.physa.2005.10.044
20. K. R. Elder, N. Provatas, J. Berry, P. Stefanovic, and M. Grant, Phys. Rev. B 75, 064107 (2007). 10.1103/PhysRevB.75.064107
21. A. Jaatinen, C. V. Achim, K. R. Elder, and T. Ala-Nissila, Phys. Rev. E 80, 031602 (2009). 10.1103/PhysRevE.80.031602
22. G. Kahl and H. Löwen, J. Phys.: Condens. Matter 21, 464101 (2009). 10.1088/0953-8984/21/46/464101
23. T. V. Ramakrishnan and M. Yussouff, Phys. Rev. B 19, 2775 (1979). 10.1103/PhysRevB.19.2775
24. S. A. Brazovskii, Zh. Eksp. Teor. Fiz. 68, 175 (1975).
25. J. Swift and P. C. Hohenberg, Phys. Rev. A 15, 319 (1977). 10.1103/PhysRevA.15.319
26. S. van Teeffelen, R. Backofen, A. Voigt, and H. Löwen, Phys. Rev. E 79, 051404 (2009). 10.1103/PhysRevE.79.051404
27. S.-C. Kim and S. H. Lee, J. Phys.: Condens. Matter 16, 6365 (2004). 10.1088/0953-8984/16/36/003
28. M. G. Knepley, D. A. Karpeev, S. Davidovits, R. S. Eisenberg, and D. Gillespie, J. Chem. Phys. 132, 124101 (2010). 10.1063/1.3357981
29. Y. Tang, Z. Tong, and B. C.-Y. Lu, Fluid Phase Equilib. 134, 21 (1997). 10.1016/S0378-3812(97)00049-6
30. J. A. Barker and D. Henderson, J. Chem. Phys. 47, 2856 (1967). 10.1063/1.1712308
31. J. A. Barker and D. Henderson, J. Chem. Phys. 47, 4714 (1967). 10.1063/1.1701689
32. Y. Tang and J. Wu, Phys. Rev. E 70, 011201 (2004). 10.1103/PhysRevE.70. 011201
33. C. Kittel, Introduction to Solid State Physics (John Wiley Sons, Inc., New York, 1958).
34. A. Härtel, M. Oettel, R. E. Rozas, S. U. Egelhaaf, J. Horbach, and H. Löwen, Phys. Rev. Lett. 108, 226101 (2012). 10.1103/PhysRevLett.108. 226101
35. R. Ohnesorge, H. Löwen, and H. Wagner, Phys. Rev. E 50, 4801 (1994). 10.1103/PhysRevE.50.4801
36. Y. Tang, J. Chem. Phys. 134, 224508 (2011). 10.1063/1.3599048
37. A. Lotfi, J. Vrabec, and J. Fischer, Molec. Phys. 76, 1319 (1992). 10.1080/00268979200102111
38. A. Ahmed and R. J. Sadus, J. Chem. Phys. 131, 174504 (2009). 10.1063/1.3253686
39. M. A. van der Hoef, J. Chem. Phys. 113, 8142 (2000). 10.1063/1.1314342
40. D. Fu, Y. G. Li, and J. Z. Wu, Phys. Rev. E 68, 011403 (2003). 10.1103/PhysRevE.68.011403
41. J. Z. Wu and J. Prausnitz, Fluid Phase Equilib. 194, 689 (2002). 10.1016/S0378-3812(01)00679-3
42. R. L. Davidchack and B. B. Laird, J. Chem. Phys. 118, 7651 (2003). 10.1063/1.1563248
43. F. Spaepen, Acta Metall. 23, 729 (1975). 10.1016/0001-6160(75)90056-5
44. F. Spaepen and R. B. Meyer, Scr. Metall. 10, 257 (1976). 10.1016/0036-9748(76)90374-4
45. A. Alexander and J. McTague, Phys. Rev. Lett. 41, 702 (1978). 10.1103/PhysRevLett.41.702