Estimating the density-scaling exponent of a monatomic liquid from its pair potential

Journal of Chemical Physics

Volumn 140, Issue 12, 2014, Pages

  Bøhling, Lasse ^a   Bailey, Nicholas P ^a   Schrøder, Thomas B ^a   Dyre, Jeppe C ^a  

^a ROSKILDE UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY; PHYSICS;

ANALYTICAL EXPRESSIONS; DENSITY DEPENDENCE; LENNARD-JONES LIQUIDS; MONATOMIC LIQUIDS; MOST LIKELY; NEAREST-NEIGHBORS; PAIR CORRELATION FUNCTIONS; PAIR POTENTIAL;

LIQUIDS;

EID: 84897484044     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4869114     Document Type: Article

References (41)

1. A. Tölle, Rep. Prog. Phys. 64, 1473 (2001). 10.1088/0034-4885/64/11/ 203
2. C. Alba-Simionesco, A. Cailliaux, A. Alegria, and G. Tarjus, Europhys. Lett. 68, 58 (2004). 10.1209/epl/i2004-10214-6
3. C. Dreyfus, A. L. Grand, J. Gapinski, W. Steffen, and A. Patkowski, Eur. Phys. J. B 42, 309 (2004). 10.1140/epjb/e2004-00386-3
4. C. M. Roland, S. Hensel-Bielowka, M. Paluch, and R. Casalini, Rep. Prog. Phys. 68, 1405 (2005). 10.1088/0034-4885/68/6/R03
5. C. M. Roland, Macromolecules 43, 7875 (2010). 10.1021/ma101649u
6. M. S. Shell, J. Chem. Phys. 137, 084503 (2012). 10.1063/1.4746391
7. A. Grzybowski, K. Koperwas, A. Swiety-Pospiech, K. Grzybowska, and M. Paluch, Phys. Rev. B 87, 054105 (2013). 10.1103/PhysRevB.87.054105
8. W.-S. Xu and K. F. Freed, J. Chem. Phys. 138, 234501 (2013). 10.1063/1.4809991
9. D. Fragiadakis and C. M. Roland, Phys. Rev. E 83, 031504 (2011). 10.1103/PhysRevE.83.031504
10. C. M. Roland, R. Casalini, R. Bergman, and J. Mattsson, Phys. Rev. B 77, 012201 (2008). 10.1103/PhysRevB.77.012201
11. D. Fragiadakis, C. M. Roland, and R. Casalini, J. Chem. Phys. 132, 144505 (2010). 10.1063/1.3374820
12. N. Gnan, T. B. Schrøder, U. R. Pedersen, N. P. Bailey, and J. C. Dyre, J. Chem. Phys. 131, 234504 (2009). 10.1063/1.3265957
13. J. C. Dyre, Phys. Rev. E 88, 042139 (2013). 10.1103/PhysRevE.88.042139
14. T. S. Ingebrigtsen, T. B. Schrøder, and J. C. Dyre, Phys. Rev. X 2, 011011 (2012). 10.1103/PhysRevX.2.011011
15. L. Bøhling, T. S. Ingebrigtsen, A. Grzybowski, M. Paluch, J. C. Dyre, and T. B. Schrøder, New J. Phys. 14, 113035 (2013). 10.1088/1367-2630/14/11/113035
16. N. P. Bailey, L. Bøhling, A. A. Veldhorst, T. B. Schrøder, and J. C. Dyre, J. Chem. Phys. 139, 184506 (2012). 10.1063/1.4827090
17. N. P. Bailey, U. R. Pedersen, N. Gnan, T. B. Schrøder, and J. C. Dyre, J. Chem. Phys. 129, 184508 (2008). 10.1063/1.2982249
18. T. S. Ingebrigtsen, L. Bøhling, T. B. Schrøder, and J. C. Dyre, J. Chem. Phys. 136, 061102 (2012). 10.1063/1.3685804
19. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science Publications, 1987).
20. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids: With Applications to Soft Matter, 4th ed. (Academic, New York, 2013).
21. U. R. Pedersen, N. P. Bailey, T. B. Schrøder, and J. C. Dyre, Phys. Rev. Lett. 100, 015701 (2008). 10.1103/PhysRevLett.100.015701
22. U. R. Pedersen, T. B. Schrøder, and J. C. Dyre, Phys. Rev. Lett. 105, 157801 (2010). 10.1103/PhysRevLett.105.157801
23. T. S. Ingebrigtsen, T. B. Schrøder, and J. C. Dyre, J. Phys. Chem. B 116, 1018 (2012). 10.1021/jp2077402
24. A. A. Veldhorst, L. Bøhling, J. C. Dyre, and T. B. Schrøder, Eur. Phys. J. B 85, 21 (2012). 10.1140/epjb/e2011-20506-2
25. A. A. Veldhorst, J. C. Dyre, and T. B. Schrøder, "The isomorph theory explains the dynamical scaling properties of flexible Lennard-Jones chains," J. Chem. Phys. (submitted).
26. D. Albrechtsen, A. E. Olsen, T. B. Schrøder, and J. C. Dyre, "Invariants of the classical Lennard-Jones crystal " (unpublished).
27. T. B. Schrøder, N. Gnan, U. R. Pedersen, N. P. Bailey, and J. C. Dyre, J. Chem. Phys. 134, 164505 (2011). 10.1063/1.3582900
28. J. C. Dyre, Phys. Rev. E 87, 022106 (2013). 10.1103/PhysRevE.87.022106
29. N. P. Bailey, U. R. Pedersen, N. Gnan, T. B. Schrøder, and J. C. Dyre, J. Chem. Phys. 129, 184507 (2008). 10.1063/1.2982247
30. J. E. Lennard-Jones, Proc. R. Soc. London, Ser. A 106, 441 (1924). 10.1098/rspa.1924.0081
31. L. J. Lewis and G. Wahnström, Phys. Rev. E 50, 3865 (1994). 10.1103/PhysRevE.50.3865
32. R. A. Buckingham, Proc. R. Soc. London, Ser. A 168, 264 (1938). 10.1098/rspa.1938.0173
33. L. Bøhling, A. A. Veldhorst, T. S. Ingebrigtsen, N. P. Bailey, J. S. Hansen, S. Toxvaerd, T. B. Schrøder, and J. C. Dyre, J. Phys.: Condens. Matter 25, 032101 (2013). 10.1088/0953-8984/25/3/032101
34. D. Fragiadakis and C. M. Roland, J. Chem. Phys. 134, 044504 (2011). 10.1063/1.3532545
35. S. M. Stishov, Sov. Phys. Usp. 17, 625 (1975). 10.1070/ PU1975v017n05ABEH004361
36. H. S. Kang, S. C. Lee, T. Ree, and F. H. Ree, J. Chem. Phys. 82, 414 (1985). 10.1063/1.448762
37. D. Ben-Amotz and G. Stell, J. Chem. Phys. 119, 10777 (2003). 10.1063/1.1620995
38. D. Coslovich and C. M. Roland, J. Phys. Chem. B 112, 1329 (2008). 10.1021/jp710457e
39. J. E. Lennard-Jones and A. F. Devonshire, Proc. R. Soc. London, Ser. A 163, 53 (1937). 10.1098/rspa.1937.0210
40. All simulations were performed using a molecular dynamics code optimized for NVIDIA graphics cards, which is available as open source code at http://rumd.org.
41. L. Lopez-Flores, H. Ruiz-Estrada, M. Chavez-Paez, and M. Medina-Noyola, Phys. Rev. E 88, 042301 (2013). 10.1103/PhysRevE.88.042301