Fundamental-measure density functional theory study of the crystal-melt interface of the hard sphere system

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 73, Issue 3, 2006, Pages

  Warshavsky, Vadim B ^a   Song, Xueyu ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTALS; DENSITY (SPECIFIC GRAVITY); FREE ENERGY; INTERFACES (MATERIALS);

CANONICAL POTENTIAL; CRYSTAL-MELT INTERFACES; HARD SPHERE SYSTEMS;

PROBABILITY DENSITY FUNCTION;

EID: 33644951339     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.73.031110     Document Type: Article

References (38)

1. M. E. Glicksman and C. Vold, Acta Metall. AMETAR 0001-6160 10.1016/0001-6160(69)90157-6 17, 1 (1969).
2. R. E. Napolitano, S. Liu, and R. Trivedi, Interface Sci. INSCE9 0927-7056 10.1023/A:1015884415896 10, 217 (2002).
3. J. J. Hoyt, M. Asta, T. Haxhimali, A. Karma, R. E. Napolitano, R. Trivedi, B. Laird, and J. R. Morris, MRS Bull. MRSBEA 0883-7694 29, 935 (2004).
4. J. Q. Broughton and G. H. Gilmer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449884 84, 5759 (1986).
5. R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.4751 85, 4751 (2000).
6. Y. Mu and X. Song, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2159474 124, 034712 (2006).
7. J. J. Hoyt, M. Asta, and A. Karma, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5530 86, 5530 (2001).
8. J. R. Morris, Z. Y. Lu, Y. Y. Ye, and K. M. Ho, Interface Sci. INSCE9 0927-7056 10.1023/A:1015800629100 10, 143 (2002).
9. J. R. Morris and X. Song, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1591725 119, 3920 (2003).
10. Y. Mu, A. Houk, and X. Song, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp046289e 109, 6500 (2005).
11. R. Evans, in Fundamentals of Inhomogeneous Fluid, edited by, D. Henderson, (Wiley, New York, 1992).
12. J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1674820 54, 5237 (1971).
13. V. B. Warshavsky and X. Song, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.69.061113 69, 061113 (2004).
14. W. A. Curtin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.6775 39, 6775 (1989).
15. A. D. J. Haymet and D. W. Oxtoby, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.441326 74, 2559 (1981).
16. R. Ohnesorge, H. Lowen, and H. Wagner, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.50.4801 50, 4801 (1994).
17. S. M. Moore and H. J. Raveche, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451519 85, 6039 (1986).
18. W. E. McMullen and D. W. Oxtoby, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454121 88, 1967 (1988).
19. W. A. Curtin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.59. 1228 59, 1228 (1987).
20. D. W. Marr and A. P. Gast, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.47.1212 47, 1212 (1993).
21. A. Kyrlidis and R. A. Brown, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.51.5832 51, 5832 (1995).
22. N. Choudhury and S. K. Ghosh, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.57.1939 57, 1939 (1998).
23. D. W. Marr, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.468961 102, 8283 (1995).
24. Y. Rosenfeld, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.63. 980 63, 980 (1989).
25. H. Löwen, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/46/301 14, 11897 (2002).
26. Y. Rosenfeld, M. Schmidt, H. Lowen, and P. Tarazona, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.55.4245 55, 4245 (1997).
27. R. Roth, R. Evans, A. Lang, and G. Kahl, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/46/313 14, 12063 (2002).
28. P. Tarazona, Physica A PHYADX 0378-4371 10.1016/S0378-4371(02)00501-0 306, 243 (2002).
29. W. G. Hoover and F. H. Ree, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1670641 49, 3609 (1968).
30. B. Groh and B. Mulder, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.61. 3811 61, 3811 (2000).
31. R. Ohnesorge, H. Lowen, and H. Wagner, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.43.2870 43, 2870 (1991).
32. J. K. Percus, J. Stat. Phys. JSTPBS 0022-4715 10.1007/BF01011639 52, 1157 (1988).
33. W. A. Curtin and K. Runge, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.35.4755 35, 4755 (1987).
34. Y. Rosenfeld, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454810 89, 4272 (1988).
35. W. H. Press, B. P. Flannery, S. A. Teukovsky, and W. T. Vetterling, Numerical Recipes (FORTRAN version) (Cambridge University Press, Cambridge, 1989).
36. A. Mori, R. Manabe, and K. Nishioka, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.51.R3831 51, R3831 (1995).
37. R. L. Davidchack and B. B. Laird, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476396 108, 9452 (1998).
38. R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.086102 94, 086102 (2005).