Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface

Journal of Chemical Physics

Volumn 127, Issue 12, 2007, Pages

  Coslovich, D ^a   Pastore, G ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

ISOBARIC FRAGILITY; POTENTIAL ENERGY BARRIERS; STATIONARY POINTS;

ACTIVATION ENERGY; CORRELATION METHODS; POTENTIAL ENERGY SURFACES; SUPERCOOLING;

BINARY MIXTURES;

EID: 67651182492     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2773720     Document Type: Article

References (67)

1. F. Sciortino, J. Stat. Mech.: Theory Exp. 2005, P05015 (2005).
2. D. J. Wales, Energy Landscapes (Cambridge University Press, Cambridge, 2003).
3. F. H. Stillinger and T. A. Weber, Phys. Rev. A 1050-2947 10.1103/PhysRevA.25.978 25, 978 (1982).
4. S. Sastry, P. G. Debenedetti, and F. H. Stillinger, Nature 0028-0836 10.1038/31146 393, 554 (1998).
5. F. H. Stillinger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.2409 41, 2409 (1990).
6. B. Doliwa and A. Heuer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 91.235501 91, 235501 (2003).
7. B. Doliwa and A. Heuer, Phys. Rev. E 1063-651X 10.1103/PhysRevE.67.031506 67, 031506 (2003).
8. B. Doliwa and A. Heuer, Phys. Rev. E 1063-651X 10.1103/PhysRevE.67.030501 67, 030501 (2003).
9. R. A. Denny, D. R. Reichman, and J. -P. Bouchaud, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.90.025503 90, 025503 (2003).
10. F. H. Stillinger, Science 0036-8075 10.1126/science.267.5206.1935 267, 1935 (1995).
11. S. Sastry, Nature 0028-0836 10.1038/35051524 409, 164 (2001).
12. R. J. Speedy, J. Phys. Chem. B 1089-5647 10.1021/jp983830w 103, 4060 (1999).
13. G. Ruocco, F. Sciortino, F. Zamponi, C. De Michele, and T. Scopigno, J. Chem. Phys. 0021-9606 10.1063/1.1736628 120, 10666 (2004).
14. G. Tarjus, D. Kivelson, S. Mossa, and C. Alba-Simionesco, J. Chem. Phys. 0021-9606 10.1063/1.1649732 120, 6135 (2004).
15. T. F. Middleton and D. J. Wales, Phys. Rev. B 0163-1829 10.1103/PhysRevB.64.024205 64, 024205 (2001).
16. T. F. Middleton and D. J. Wales, J. Chem. Phys. 0021-9606 10.1063/1.1545096 118, 4583 (2003).
17. L. Angelani, G. Ruocco, M. Sampoli, and F. Sciortino, J. Chem. Phys. 0021-9606 10.1063/1.1587132 119, 2120 (2003).
18. J. P. K. Doye and D. J. Wales, J. Chem. Phys. 0021-9606 10.1063/1.1436470 116, 3777 (2002).
19. D. J. Wales and J. P. K. Doye, J. Chem. Phys. 0021-9606 10.1063/1.1625644 119, 12409 (2003).
20. M. Sampoli, P. Benassi, R. Eramo, L. Angelani, and G. Ruocco, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/15/11/340 15, S1227 (2003).
21. L. Angelani, R. Di Leonardo, G. Ruocco, A. Scala, and F. Sciortino, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.85.5356 85, 5356 (2000).
22. L. Angelani, R. Di Leonardo, G. Ruocco, A. Scala, and F. Sciortino, J. Chem. Phys. 0021-9606 10.1063/1.1475764 116, 10297 (2002).
23. D. Coslovich and G. Pastore, Europhys. Lett. 0295-5075 10.1209/epl/i2006-10175-8 75, 784 (2006).
24. A. Cavagna, Europhys. Lett. 0295-5075 10.1209/epl/i2001-00179-4 53, 490 (2001).
25. F. Zamponi, L. Angelani, L. F. Cugliandolo, J. Kurchan, and G. Ruocco, J. Phys A 36, 8565 (2004).
26. T. Keyes, J. Chowdhary, and J. Kim, Phys. Rev. E 1063-651X 10.1103/PhysRevE.66.051110 66, 051110 (2002).
27. A. Andronico, L. Angelani, L. F. Cugliandolo, J. Kurchan, and G. Ruocco, Phys. Rev. E 70, 041101 (2004).
28. A. Cavagna, I. Giardina, and G. Parisi, J. Phys A 34, 5317 (2001).
29. T. Grigera, A. Cavagna, I. Giardina, and G. Parisi, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.88.055502 88, 055502 (2002).
30. P. Shah and C. Chakravarty, J. Chem. Phys. 0021-9606 10.1063/1.1413739 115, 8784 (2001).
31. S. N. Chakraborty and C. Chakravarty, J. Chem. Phys. 0021-9606 10.1063/1.2140282 124, 014507 (2006).
32. L. Angelani, C. De Michele, G. Ruocco, and F. Sciortino, J. Chem. Phys. 0021-9606 10.1063/1.1801011 121, 7533 (2004).
33. C. De Michele, F. Sciortino, and A. Coniglio, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/16/45/L01 16, L489 (2004).
34. D. Coslovich and G. Pastore, J. Chem. Phys. 1063-651X 10.1103/PhysRevE.51.4626 51, 4626 (1995).
35. W. Kob and H. C. Andersen, Phys. Rev. E 1063-651X 10.1103/PhysRevE.52. 4134 52, 4134 (1995).
36. S. D. Stoddard and J. Ford, Phys. Rev. A 1050-2947 10.1103/PhysRevA.8. 1504 8, 1504 (1973).
37. P. Shah and C. Chakravarty, J. Chem. Phys. 0021-9606 10.1063/1.1522401 118, 2342 (2003).
38. G. Wahnström, Phys. Rev. A 1050-2947 10.1103/PhysRevA.44.3752 44, 3752 (1991).
39. S. D. Bond, B. J. Leimkuhler, and B. B. Laird, J. Comput. Phys. 0021-9991 10.1006/jcph.1998.6171 151, 114 (1999).
40. S. Noś, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.70.75 70, 75 (2001).
41. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, London, 1987).
42. D. C. Liu and J. Nocedal, Math. Program. 0025-5610 10.1007/BF01589116 45, 503 (1989).
43. T. S. Grigera, J. Chem. Phys. 0021-9606 10.1063/1.2151899 124, 064502 (2006).
44. D. Kivelson, G. Tarjus, X. Zhao, and S. A. Kivelson, Phys. Rev. E 1063-651X 10.1103/PhysRevE.53.751 53, 751 (1996).
45. M. L. Ferrer, H. Sakai, D. Kivelson, and C. Alba-Simionesco, J. Phys. Chem. B 1089-5647 10.1021/jp984388k 103, 4191 (1999).
46. G. Tarjus, D. Kivelson, and P. Viot, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/12/29/321 12, 6497 (2000).
47. V. N. Novikov, Y. Ding, and A. P. Sokolov, Phys. Rev. E 1063-651X 10.1103/PhysRevE.71.061501 71, 061501 (2005).
48. C. A. Angell, B. E. Richards, and V. Velikov, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/11/10A/005 11, A75 (1999).
49. S. D. Bembenek and B. B. Laird, J. Chem. Phys. 0021-9606 10.1063/1.471147 104, 5199 (1995).
50. J. D. Gezelter, E. Rabani, and B. J. Berne, J. Chem. Phys. 0021-9606 10.1063/1.474822 107, 4618 (1997).
51. T. Keyes, G. V. Vijayadamodar, and U. Zurcher, J. Chem. Phys. 0021-9606 10.1063/1.473481 106, 4651 (1997).
52. K. Broderix, K. K. Bhattacharya, A. Cavagna, A. Zippelius, and I. Giardina, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.85.5360 85, 5360 (2000).
53. A. Cavagna, I. Giardina, and T. Grigera, J. Phys A 36, 10721 (2003).
54. T. Keyes, J. Chem. Phys. 0021-9606 10.1063/1.468407 101, 5081 (1995).
55. G. Vijayadamodar and A. Nitzan, J. Chem. Phys. 0021-9606 10.1063/1.469693 103, 2169 (1995).
56. W. -X. Li and T. Keyes, J. Chem. Phys. 0021-9606 10.1063/1.479810 111, 5503 (1999).
57. L. Berthier and J. P. Garrahan, Phys. Rev. E 1063-651X 10.1103/PhysRevE.68.041201 68, 041201 (2003).
58. E. A. Jagla, Mol. Phys. 0026-8976 10.1080/00268970010030031 99, 753 (2001).
59. A. Widmer-Cooper, P. Harrowell, and H. Fynewever, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.135701 93, 135701 (2004).
60. C. Donati, S. C. Glotzer, P. H. Poole, S. J. Plimpton, and W. Kob, Phys. Rev. E 1063-651X 10.1103/PhysRevE.60.3107 60, 3107 (1999).
61. T. B. Schrøder, S. Sastry, J. C. Dyre, and S. C. Glotzer, J. Chem. Phys. 0021-9606 10.1063/1.481621 112, 9834 (2000).
62. G. A. Appignanesi, J. A. Rodriguez Fris, R. A. Montani, and W. Kob, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.96.057801 96, 057801 (2005).
63. G. Tarjus, S. A. Kivelson, Z. Nussinov, and P. Viot, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/17/50/R01 17, R1143 (2005).
64. J. Chowdhary and T. Keyes, Physica A 0378-4371 10.1016/S0378-4371(02) 01053-1 314, 575 (2002).
65. Actually, also a third way has been considered (Ref.).
66. Introduction of a lower frequency cutoff ωc to filter some shoulder modes (Ref.) would not affect our conclusions.
67. It has been suggested (Ref.) that the leading contribution to the density dependence of the geometric mean frequency in local minima should scale as a power law of ρ. We argue that a similar argument might hold for high-order stationary points.