Single-random-valley approximation in vibration-transit theory of liquid dynamics

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

Volumn 76, Issue 4, 2007, Pages

  De Lorenzi Venneri, Giulia ^a   Wallace, Duane C ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ENTROPY; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; POTENTIAL ENERGY; STATISTICAL MECHANICS; VIBRATION ANALYSIS;

ELEMENTAL LIQUIDS; LIQUID DYNAMICS; TRACTABLE PARTITION FUNCTION; VIBRATION-TRANSIT THEORY;

FLUID DYNAMICS;

EID: 35348957824     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.76.041203     Document Type: Article

References (66)

1. L. J. Sham, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 283, 33 (1965).
2. W. A. Harrison, Pseudopotentials in the Theory of Metals (W. A. Benjamin, New York, 1966).
3. N. W. Ashcroft and D. C. Langreth, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.155.682 155, 682 (1967).
4. D. C. Wallace, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.176.832 176, 832 (1968)
5. D. C. Wallace, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.1.3963 1, 3963 (1970).
6. N. W. Ashcroft and J. Lekner, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.145.83 145, 83 (1966).
7. T. E. Faber, Theory of Liquid Metals (Cambridge University Press, Cambridge, 1972).
8. N. W. Ashcroft and D. Stroud, in Solid State Physics, edited by, H. Ehrenreich, F. Seitz, and, D. Turnbull, (Academic, New York, 1978), Vol. 33, p. 1.
9. J. Hafner, in Amorphous Solids and the Liquid State, edited by, N. H. March, R. A. Street, and, M. P. Tosi, (Plenum, New York, 1985), p. 91.
10. N. Bock, D. Coffey, and D. C. Wallace, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.155120 72, 155120 (2005).
11. N. Bock, D. C. Wallace, and D. Coffey, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.075114 73, 075114 (2006).
12. H. R. Glyde, J. P. Hansen, and M. L. Klein, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.16.3476 16, 3476 (1977).
13. S. K. Schiferl and D. C. Wallace, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.7662 31, 7662 (1985).
14. A. Rahman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.32.52 32, 52 (1974)
15. A. Rahman, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.9.1667 9, 1667 (1974).
16. G. K. Straub, S. K. Schiferl, and D. C. Wallace, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.28.312 28, 312 (1983).
17. G. Jacucci, M. L. Klein, and R. Taylor, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(76)91098-X 19, 657 (1976).
18. U. Balucani, A. Torcini, and R. Vallauri, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.3011 47, 3011 (1993).
19. R. Bansal and W. Bruns, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.446742 80, 872 (1984).
20. P. T. Cummings and G. P. Morris, J. Phys. F: Met. Phys. JPFMAT 0305-4608 10.1088/0305-4608/17/3/007 17, 593 (1987).
21. U. Balucani, R. Vallauri, and T. Gaskell, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.35.4263 35, 4263 (1987).
22. G. Jacucci and I. R. McDonald, in Liquid and Amorphous Metals, edited by, E. Lüscher, and, H. Coufal, (Sijthoff & Noordhof, Alphen aan den Rijn, The Netherlands, 1980), p. 143.
23. U. Balucani, R. Vallauri, and T. Gaskell, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.37.3386 37, 3386 (1988).
24. P. Borgelt, C. Hoheisel, and G. Stell, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.42.789 42, 789 (1990).
25. N. H. March, Liquid Metals (Cambridge University Press, Cambridge, 1990), Chap..
26. P. A. Egelstaff, in Dynamics of Disordered Materials, edited by, D. Richter, A. J. Dainoux, W. Petri, and, J. Teixeira, (Springer, Berlin, 1989), p. 2.
27. N. H. March and J. A. Alonso, Mol. Phys. MOPHAM 0026-8976 10.1080/002689798167278 95, 353 (1998).
28. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids, 2nd ed. (Academic, New York, 1986).
29. U. Balucani and M. Zoppi, Dynamics of the Liquid State, 2nd ed. (Clarendon Press, Oxford, 1994).
30. T. Scopigno, U. Balucani, G. Ruocco, and F. Sette, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.65.031205 65, 031205 (2002).
31. N. H. March and M. P. Tosi, Introduction to Liquid State Physics (World Scientific, Hackensack, NJ, 2002).
32. E. Chisolm and D. Wallace, in Shock Compression of Condensed Matter-2005, edited by, M. D. Furnish, M. Elert, T. P. Russell, and, C. T. White, (American Institute of Physics, Melville, NY, 2006), p. 53.
33. F. H. Stillinger and T. A. Weber, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.25.978 25, 978 (1982).
34. T. A. Weber and F. H. Stillinger, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447072 80, 2742 (1984).
35. F. H. Stillinger and T. A. Weber, Science SCIEAS 0036-8075 10.1126/science.225.4666.983 225, 983 (1984).
36. F. Sciortino, W. Kob, and P. Tartaglia, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.3214 83, 3214 (1999).
37. A. Scala, F. W. Starr, E. La Nave, F. Sciortino, and H. E. Stanley, Nature (London) NATUAS 0028-0836 10.1038/35018034 406, 166 (2000).
38. T. B. Schrøder, S. Sastry, J. C. Dyre, and S. C. Glotzer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481621 112, 9834 (2000).
39. K. Binder and W. Kob, Glassy Materials and Disordered Solids (World Scientific Publishing, Singapore, 2005).
40. D. J. Wales, Energy Landscapes: With Applications to Clusters, Biomolecules and Glasses (Cambridge University Press, Cambridge, 2003).
41. F. Sciortino, J. Stat. Mech.: Theory Exp. ZZZZZZ 1742-5468 2005, P05015.
42. R. J. Speedy, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/11/342 15, S1243 (2003).
43. P. G. Debenedetti, F. H. Stillinger, T. M. Truskett, and C. J. Roberts, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp991384m 103, 7390 (1999).
44. E. La Nave, S. Mossa, and F. Sciortino, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.225701 88, 225701 (2002).
45. D. C. Wallace, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.56.4179 56, 4179 (1997).
46. E. D. Chisolm, B. E. Clements, and D. C. Wallace, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.63.031204 63, 031204 (2001).
47. D. C. Wallace, G. De Lorenzi-Venneri, and E. D. Chisolm, e-print arXiv:cond-mat/0506369.
48. G. De Lorenzi-Venneri and D. C. Wallace, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2140278 123, 244513 (2005).
49. D. C. Wallace and B. E. Clements, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59.2942 59, 2942 (1999).
50. B. E. Clements and D. C. Wallace, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59.2955 59, 2955 (1999).
51. A. Heuer and S. Büchner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/29/325 12, 6535 (2000).
52. The correct N dependence is Eq. (14) of Ref, with M/N, as discussed in their paper.
53. F. Sciortino, W. Kob, and P. Tartaglia, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/29/324 12, 6525 (2000).
54. For the classification of normal and anomalous melting see Refs.. Note VT theory is supposed to apply to all monatomic liquids, though part of the underlying data analysis is limited to normal melting elements.
55. D. C. Wallace, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 10.1098/rspa.1991.0068 433, 631 (1991)
56. D. C. Wallace, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 439, 177 (1992).
57. D. C. Wallace, Statistical Physics of Crystals and Liquids (World Scientific, New Jersey, 2002).
58. L. Angelani, G. Parisi, G. Ruocco, and G. Viliani, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.61.1681 61, 1681 (2000 a).
59. S. Sastry, P. G. Debenedetti, and F. H. Stillinger, Nature (London) NATUAS 0028-0836 10.1038/31146 393, 554 (1998).
60. W. Kob, F. Sciortino, and P. Tartaglia, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2000-00191-8 49, 590 (2000).
61. S. Sastry, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/29/323 12, 6515 (2000).
62. K. Broderix, K. K. Bhattacharya, A. Cavagna, A. Zippelius, and I. Giardina, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5360 85, 5360 (2000).
63. M. Sampoli, P. Benassi, R. Eramo, L. Angelani, and G. Ruocco, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/11/340 15, S1227 (2003).
64. L. Angelani, R. Di Leonardo, G. Ruocco, A. Scala, and F. Sciortino, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5356 85, 5356 (2000 b).
65. F. W. Starr, S. Sastry, E. La Nave, A. Scala, H. E. Stanley, and F. Sciortino, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.63.041201 63, 041201 (2001).
66. C. Chakravarty, P. G. Debenedetti, and F. H. Stillinger, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2129327 123, 206101 (2005).