Inherent-structure view of self-diffusion in liquids

Journal of Physical Chemistry B

Volumn 108, Issue 21, 2004, Pages 6772-6777

  Shell, M Scott ^a   Debenedetti, Pablo G ^a   Stillinger, Frank H ^b  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMPTOTIC STABILITY; COMPUTER SIMULATION; CORRELATION METHODS; DENSITY (SPECIFIC GRAVITY); DIFFUSION; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

MEAN-SQUARE DISPLACEMENT; PARTICLE MOTION; SELF-DIFFUSION PROCESS; VELOCITY AUTOCORRELATION FUNCTIONS;

NEWTONIAN LIQUIDS;

EID: 2942616780     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0372800     Document Type: Article

References (23)

1. Goldstein, M. J. Chem. Phys. 1969, 51, 3728.
2. Stillinger, F. H.; Weber, T. A. Phys. Rev. A 1982, 25, 978.
3. Stillinger, F. H. Collective Phenomena in Statistical Mechanics and the Geometry of Potential Energy Hypersurfaces. In Mathematical Frontiers in Computational Chemical Physics; Truhlar, D. G., Ed.; Springer-Verlag: New York, 1988; pp 157-173.
4. Stillinger, F. H. Science 1995, 267, 1935.
5. Sciortino, F.; Kob, W.; Tartaglia, P. J. Phys.: Condens. Matter 2000, 12, 6525.
6. Dzugutov, M. Phys. Rev. A 1992, 46, R2984.
7. Dzugutov, M. Phys. Rev. Lett. 1993, 70, 2924.
8. Dzugutov, M.; Simdyankin, S. I.; Zetterling, F. H. M. Phys. Rev. Lett. 2002, 89, 195701.
9. Keyes, T.; Chowdhary, J. Phys. Rev. E 2002, 65, 041106.
10. Hansen, J. P.; McDonald, I. R. Theory of Simple Liquids; Academic Press: New York, 1976; pp 239-241.
11. Stillinger, F. H.; Weber, T. A. Phys. Rev. A 1983, 28, 2408.
12. Weber, T. A.; Stillinger, F. H. Phys. Rev. B 1985, 31, 1954.
13. Schrøder, T. B.; Sastry, S.; Dyre, J. C.; Glotzer, S. C. J. Chem. Phys. 2000, 112, 9834.
14. Stillinger, F. H.; Weber, T. A. Science 1984, 225, 983.
15. Reference 10, sections 10.5 and 10.6.
16. Martin, C. J.; O'Connor, D. A. J. Phys. C: Solid State Phys. 1977, 10, 3521.
17. LaViolette, R. A.; Stillinger, F. H. J. Chem. Phys. 1985, 83, 4079.
18. Roth, J.; Denton, A. R. Phys. Rev. E 2000, 61, 6845.
19. Stillinger, F. H. J. Chem. Phys. 2001, 115, 5208.
20. Roth, J. Eur. Phys. J. 2000, 14, 449.
21. Frenkel, D.; Smit, B. Understanding Molecular Simulation: From Algorithms to Applications; Academic Press: San Diego, 2002.
22. Press: W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes; Cambridge University Press: Cambridge, U.K., 1986; pp 301-307.
23. Götze, W.; Sjögren, L. Rep. Prog. Phys. 1992, 55, 241.