Saddles in the energy landscape probed by supercooled liquids

Physical Review Letters

Volumn 85, Issue 25, 2000, Pages 5356-5359

  Angelani, L ^a   Di Leonardo, R ^b   Ruocco, G ^b   Scala, A ^c   Sciortino, F ^c  

^a UNIVERSITY OF TRENTO   (Italy)

^b UNIVERSITY OF L'AQUILA   (Italy)

^c SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIFFUSION IN LIQUIDS; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; THERMAL EFFECTS; TOPOLOGY;

INSTANTANEOUS NORMAL MODE; POTENTIAL ENERGY SURFACE; SADDLES; SUPERCOOLED LIQUIDS;

SUPERCOOLING;

EID: 0034510935     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.5356     Document Type: Article

References (41)

1. Special issue of Physica (Amsterdam) 107D, Issue 2-4 (1997).
2. T. R. Kirkpatrick and D. Thirumalai, Phys. Rev. Lett. 58, 2091 (1987).
3. J. Kurchan and L. Laloux, J. Phys. A 29, 1929 (1996).
4. S. Sastry, P.G. Debenedetti, and F.H. Stillinger, Nature (London) 393, 554 (1998); see also H. Jonsson and H. C. Andersen, Phys. Rev. Lett. 60, 2295 (1988).
5. S. Sastry, P.G. Debenedetti, and F.H. Stillinger, Nature (London) 393, 554 (1998); see also H. Jonsson and H. C. Andersen, Phys. Rev. Lett. 60, 2295 (1988).
6. A. Heuer, Phys. Rev. Lett. 78, 4051 (1997); S. Buchner and A. Heuer, Phys. Rev. E 60, 6507 (1999).
7. A. Heuer, Phys. Rev. Lett. 78, 4051 (1997); S. Buchner and A. Heuer, Phys. Rev. E 60, 6507 (1999).
8. L. Angelani, G. Parisi, G. Ruocco, and G. Viliani, Phys. Rev. Lett. 81, 4648 (1998).
9. B. Coluzzi, Ph.D thesis, University of Roma La Sapienza, 1999; B. Coluzzi, G. Parisi, and P. Verrocchio, Phys. Rev. Lett. 84, 306 (2000).
10. B. Coluzzi, Ph.D thesis, University of Roma La Sapienza, 1999; B. Coluzzi, G. Parisi, and P. Verrocchio, Phys. Rev. Lett. 84, 306 (2000).
11. F. Sciortino, W. Kob, and P. Tartaglia, Phys. Rev. Lett. 83, 3214 (1999).
12. T. B. Schrøder, S. Sastry, J. Dyre, and S. C. Glotzer, J. Chem. Phys. 112, 9834 (2000).
13. F.H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978 (1982); Science 225, 983 (1984); F.H. Stillinger, Science 267, 1935 (1995).
14. F.H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978 (1982); Science 225, 983 (1984); F.H. Stillinger, Science 267, 1935 (1995).
15. F.H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978 (1982); Science 225, 983 (1984); F.H. Stillinger, Science 267, 1935 (1995).
16. S. Sastry, cond-mat/0005225.
17. T. Keyes, J. Phys. Chem. 101, 2921 (1997).
18. In the INM approach, the positive eigenvalues of the Hessian (H) are associated with vibration around the quasiequilibrium position, while the modes with negative eigenvalues are assumed to contain all of the information relevant to the description of the long-time (diffusive) dynamical processes. It is not obvious that a negative curvature in H is necessarily a diffusion coordinate in configuration space; for example, in the crystal phase -though the diffusion is absent - negative curvatures are present at finite T [29]. One finds that nondiffusive unstable modes are present even in the liquid and glassy phase at all T [30]. This makes the identification of those unstable modes which really contribute to diffusion the main difficulty of a straightforward INM approach [15,31]. Indeed, model-dependent recipes are requested to sort out the diffusive directions (i.e., the direction which leads to distinct basins) from the body of directions characterized by negative eigenvalues.
19. F. Sciortino and P. Tartaglia, Phys. Rev. Lett. 78, 2385 (1997).
20. C. Donati, F. Sciortino, and P. Tartaglia, Phys. Rev. Lett. 85, 1464 (2000).
21. W. Li, and T. Keyes, J. Chem. Phys. 111, 5503 (1999).
22. E. La Nave, A. Scala, F. W. Starr, F. Sciortino, and H. E. Stanley, Phys. Rev. Lett. 84, 4605 (2000).
23. W. Götze, J. Phys. Condens. Matter 11, A1 (1999).
24. →∇V.
25. s.
26. K. K. Battacharya, K. Broderix, A. Cavagna, I. Giardina, and A. Zippelius (to be published).
27. G. Ruocco, L. Angelani, and R. Di Leonardo (to be published); R. Di Leonardo, L. Angelani, G. Parisi, and G. Ruocco, Phys. Rev. Lett. 84, 6054 (2000).
28. G. Ruocco, L. Angelani, and R. Di Leonardo (to be published); R. Di Leonardo, L. Angelani, G. Parisi, and G. Ruocco, Phys. Rev. Lett. 84, 6054 (2000).
29. W. Kob and H. C. Andersen, Phys. Rev. Lett. 73, 1376 (1994); Phys. Rev. E 51, 4626 (1995); Phys. Rev. E 52, 4134 (1995).
30. W. Kob and H. C. Andersen, Phys. Rev. Lett. 73, 1376 (1994); Phys. Rev. E 51, 4626 (1995); Phys. Rev. E 52, 4134 (1995).
31. W. Kob and H. C. Andersen, Phys. Rev. Lett. 73, 1376 (1994); Phys. Rev. E 51, 4626 (1995); Phys. Rev. E 52, 4134 (1995).
32. This is evident by the observation that the distribution functions P(n, T) are very narrow and their variance becomes smaller and smaller when N is increased.
33. A. Cavagna, cond-mat/9910244.
34. Starting from a given saddle point, we randomly perturb the particle coordinates, and then we start the minimization of V from these perturbed structures. The 3N - D Euclidean distance between the minima configurations found is then calculated.
35. B. Madan and T. Keyes, J. Chem. Phys. 98, 3342 (1993).
36. T. Keyes, Phys. Rev. E (to be published).
37. T. Keyes, J. Chem. Phys. 101, 5081 (1994); M. C. Ribeiro and P. A. Madden, J. Chem. Phys. 108, 3256 (1998).
38. T. Keyes, J. Chem. Phys. 101, 5081 (1994); M. C. Ribeiro and P. A. Madden, J. Chem. Phys. 108, 3256 (1998).
39. S. D. Bembenek and B. B. Laird, Phys. Rev. Lett. 74, 936 (1995); J. Chem. Phys. 104, 5199 (1996).
40. S. D. Bembenek and B. B. Laird, Phys. Rev. Lett. 74, 936 (1995); J. Chem. Phys. 104, 5199 (1996).
41. J. D. Gezelter, E. Rabani, and B. J. Berne, J. Chem. Phys. 107, 4618 (1997).