Direct calculation of the hard-sphere crystal/melt interfacial free energy

Physical Review Letters

Volumn 85, Issue 22, 2000, Pages 4751-4754

  Davidchack, Ruslan L ^a   Laird, Brian B ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; COMPUTER SIMULATION; CRYSTALS; FREE ENERGY; INTERFACIAL ENERGY; MELTING; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SPHERES;

BROUGHTON-GILMER PROCEDURE; HARD SPHERE CRYSTAL;

INTERFACES (MATERIALS);

EID: 0034314556     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.4751     Document Type: Article

References (21)

1. D. P. Woodruff, The Solid-Liquid Interface (Cambridge University Press, London, 1973).
2. J. M. Howe, Interfaces in Materials (John Wiley & Sons, New York, 1997).
3. A. W. Adamson and A. P. Gast, Physical Chemistry of Surfaces (Wiley, New York, 1997).
4. B. B. Laird, in The Encyclopedia of Computational Chemistry, edited by P. v. R Schleyer, N. L. Allinger, T. Clark, P. Kollman, and H. F. Schaefer (J. Wiley and Sons, New York, 1998).
5. D. Turnbull, J. Appl. Phys. 21, 1022 (1950).
6. J. K. G. Dhont, C. Smits, and H. N. W. Lekkerkerker, J. Colloid Interface Sci. 152, 386 (1992).
7. D. W. Marr and A. P. Gast, Langmuir 10, 1348 (1994).
8. D. W. Marr, J. Chem. Phys. 102, 8283 (1995).
9. W. G. Hoover and F. H. Ree, J. Chem. Phys. 49, 3609 (1968).
10. M. E. Glicksman and C. Vold, Acta Metall. 17, 1 (1969).
11. W. E. McMullen and D. W. Oxtoby, J. Chem. Phys. 88, 1967 (1988).
12. D. W. Oxtoby and W. E. McMullen, Phys. Chem. Liq. 18, 97 (1988).
13. W. A. Curtin, Phys. Rev. B 39, 6775 (1989).
14. D. W. Marr and A. P. Gast, Phys. Rev. E 47, 1212 (1993).
15. A. Kyrlidis and R. A. Brown, Phys. Rev. E 51, 5832 (1995).
16. R. Ohnesorge, H. Löwen, and H. Wagner, Phys. Rev. E 50, 4801 (1995).
17. J. Q. Broughton and G. H. Gilmer, J. Chem. Phys. 84, 5759 (1986).
18. R. L. Davidchack and B. B. Laird, J. Chem. Phys. 108, 9452 (1998).
19. D. C. Rappaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, New York, 1995).
20. J. Yu, L. Degrève, and M. Lozada-Cassou, Phys. Rev. Lett. 79, 3656 (1997).
21. J. A. Barker and D. Henderson, J. Chem. Phys. 47, 4714 (1967).