Isomorph invariance of the structure and dynamics of classical crystals

Physical Review B - Condensed Matter and Materials Physics

Volumn 90, Issue 9, 2014, Pages

  Albrechtsen, Dan E ^a   Olsen, Andreas E ^a   Pedersen, Ulf R ^a   Schrøder, Thomas B ^a   Dyre, Jeppe C ^a  

^a ROSKILDE UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84923337090     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.90.094106     Document Type: Article

References (73)

1. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Holt, Rinehart, and Winston, New York, 1976).
2. C. Kittel, Introduction to Solid State Physics, 5th ed. (Wiley, New York, 1976).
3. D. L. Sidebottom, Fundamentals of Condensed Matter and Crystalline Physics (Cambridge University Press, Cambridge, UK, 2012).
4. E. Bianchi, G. Doppelbauer, L. Filion, M. Dijkstra, and G. Kahl, J. Chem. Phys. 136, 214102 (2012). 10.1063/1.4722477
5. J. J. Juarez, S. E. Feicht, and M. A. Bevan, Soft Matter 8, 94 (2012). 1744-683X 10.1039/c1sm06414b
6. M. Lampe, G. Joyce, G. Ganguli, and V. Gavrishchaka, Phys. Plasmas 7, 3851 (2000). PHPAEN 1070-664X 10.1063/1.1288910
7. C. Durniak, D. Samsonov, J. F. Ralph, S. Zhdanov, and G. Morfill, Phys. Rev. E 88, 053101 (2013). PLEEE8 1539-3755 10.1103/PhysRevE.88.053101
8. A. R. Ubbelohde, Melting and Crystal Structure (Clarendon, Oxford, 1965).
9. V. Bocchetti and H. T. Diep, J. Chem. Phys. 138, 104122 (2013). 10.1063/1.4794916
10. M. Forsblom and G. Grimvall, Nat. Mater. 4, 388 (2005). 10.1038/nmat1375
11. X.-M. Bai and M. Li, Phys. Rev. B 77, 134109 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.134109
12. N. Wang, S. I. Rokhlin, and D. F. Farson, Nanotechnology 19, 415701 (2008). NNOTER 0957-4484 10.1088/0957-4484/19/41/415701
13. L. C. Gallington and A. Bongiorno, J. Chem. Phys. 132, 174707 (2010). 10.1063/1.3427247
14. H. Zhang, P. Kalvapalle, and J. F. Douglas, J. Phys. Chem. B 115, 14068 (2011). 10.1021/jp203765x
15. U. R. Pedersen, J. Chem. Phys. 139, 104102 (2013). 10.1063/1.4818747
16. J. E. Lennard-Jones, Proc. R. Soc. London A 106, 441 (1924). 1364-5021 10.1098/rspa.1924.0081
17. H. C. Andersen, Proc. Natl. Acad. Sci. USA 102, 6686 (2005). PNASA6 0027-8424 10.1073/pnas.0500946102
18. J. D. Eaves and D. R. Reichman, Proc. Natl. Acad. Sci. USA 106, 15171 (2009). PNASA6 0027-8424 10.1073/pnas.0902888106
19. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids: With Applications to Soft Matter, 4th ed. (Academic, New York, 2013).
20. A. D. Mackerell, J. Comput. Chem. 25, 1584 (2004). JCCHDD 0192-8651 10.1002/jcc.20082
21. A. Stone, The Theory of Intermolecular Forces, 2nd ed. (Oxford University Press, Oxford, 2013).
22. 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
23. 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
24. M. Born, J. Chem. Phys. 7, 591 (1939). JCPSA6 0021-9606 10.1063/1.1750497
25. J. L. Tallon, Phys. Lett. A 76, 139 (1980). PYLAAG 0375-9601 10.1016/0375-9601(80)90594-0
26. D. C. Wallace, Statistical Physics of Crystals and Liquids (World Scientific, Singapore, 2002).
27. E. Flenner, H. Staley, and G. Szamel, Phys. Rev. Lett. 112, 097801 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.112.097801
28. S. Prasad and C. Chakravarty, J. Chem. Phys. 140, 164501 (2014). 10.1063/1.4870823
29. S. Pieprzyk, D. M. Heyes, and A. C. Branka, Phys. Rev. E 90, 012106 (2014). PLEEE8 1539-3755 10.1103/PhysRevE.90.012106
30. A. Malins, J. Eggers, and C. P. Royall, J. Chem. Phys. 139, 234505 (2013). 10.1063/1.4830416
31. A. Henao, S. Pothoczki, M. Canales, E. Guardia, and L. Pardo, J. Mol. Liquids 190, 121 (2014). 10.1016/j.molliq.2013.10.030
32. U. Buchenau, arXiv:1408.5767.
33. 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.
34. F. H. Stillinger, J. Chem. Phys. 115, 5208 (2001). 10.1063/1.1394922
35. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science Publications, Oxford, New York, 1987).
36. D. E. Smith and L. X. Dang, J. Chem. Phys. 100, 3757 (1994). 10.1063/1.466363
37. S. Kale and J. Herzfeld, J. Chem. Theory Comput. 7, 3620 (2011). 10.1021/ct200392u
38. J. S. Hansen, T. B. Schrøder, and J. C. Dyre, J. Phys. Chem. B 116, 5738 (2012). 10.1021/jp300750g
39. 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
40. 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
41. T. B. Schrøder, N. P. Bailey, U. R. Pedersen, N. Gnan, and J. C. Dyre, J. Chem. Phys. 131, 234503 (2009). 10.1063/1.3265955
42. J. C. Dyre, J. Phys. Chem. B 118, 10007 (2014). 10.1021/jp501852b
43. T. S. Ingebrigtsen, T. B. Schrøder, and J. C. Dyre, Phys. Rev. X 2, 011011 (2012). 10.1103/PhysRevX.2.011011
44. T. S. Ingebrigtsen, T. B. Schrøder, and J. C. Dyre, J. Phys. Chem. B 116, 1018 (2012). 10.1021/jp2077402
45. A. A. Veldhorst, J. C. Dyre, and T. B. Schrøder, J. Chem. Phys. 141, 054904 (2014). 10.1063/1.4888564
46. J. C. Dyre, Phys. Rev. E 88, 042139 (2013). PLEEE8 1539-3755 10.1103/PhysRevE.88.042139
47. T. S. Ingebrigtsen, L. Bøhling, T. B. Schrøder, and J. C. Dyre, J. Chem. Phys. 136, 061102 (2012). 10.1063/1.3685804
48. K. Nagayama, Introduction to the Grüneisen Equation of State and Shock Thermodynamics (Amazon Digital Services, Inc., 2011).
49. U. R. Pedersen, T. B. Schrøder, J. C. Dyre, and P. Harrowell, Phys. Rev. Lett. 104, 105701 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.105701
50. G. Wahnström, Phys. Rev. A 44, 3752 (1991). PLRAAN 1050-2947 10.1103/PhysRevA.44.3752
51. M. de Graef and M. E. McHenry, Structure of Materials (Cambridge University Press, Cambridge, UK, 2007).
52. See http://en.wikipedia.org/wiki/Laves-phase.
53. R. A. Buckingham, Proc. R. Soc. London A 168, 264 (1938). 1364-5021 10.1098/rspa.1938.0173
54. A. A. Veldhorst, L. Bøhling, J. C. Dyre, and T. B. Schrøder, Eur. Phys. J. B 85, 21 (2012). EPJBFY 1434-6028 10.1140/epjb/e2011-20506-2
55. L. J. Lewis and G. Wahnström, Phys. Rev. E 50, 3865 (1994). 1063-651X 10.1103/PhysRevE.50.3865
56. U. R. Pedersen, T. S. Hudson, and P. Harrowell, J. Chem. Phys. 134, 114501 (2011). 10.1063/1.3559153
57. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987). 10.1021/j100308a038
58. J. M. Dickey and A. Paskin, Phys. Rev. 188, 1407 (1969). PHRVAO 0031-899X 10.1103/PhysRev.188.1407
59. T. B. Schrøder, U. R. Pedersen, N. P. Bailey, S. Toxvaerd, and J. C. Dyre, Phys. Rev. E 80, 041502 (2009). PLEEE8 1539-3755 10.1103/PhysRevE.80.041502
60. T. B. Schrøder and J. C. Dyre, arXiv:1406.2216.
61. J. J. Papini, T. B. Schrøder, and J. C. Dyre, arXiv:1103.4954.
62. A. M. Nieves and T. Sinno, J. Chem. Phys. 135, 074504 (2011). 10.1063/1.3624656
63. G. Grimvall, B. Magyari-Koepe, V. Ozolins, and K. A. Persson, Rev. Mod. Phys. 84, 945 (2012). RMPHAT 0034-6861 10.1103/RevModPhys.84.945
64. C. A. Lemarchand, J. Chem. Phys. 138, 034506 (2013). JCPSA6 0021-9606 10.1063/1.4775773
65. S.-N. Luo, A. Strachan, and D. C. Swift, J. Chem. Phys. 122, 194709 (2005). 10.1063/1.1902948
66. C. Chakravarty, P. G. Debenedetti, and F. H. Stillinger, J. Chem. Phys. 126, 204508 (2007). 10.1063/1.2737054
67. D. Frekel and J. P. McTague, Annu. Rev. Phys. Chem. 31, 491 (1980). 10.1146/annurev.pc.31.100180.002423
68. K. F. Kelton, Solid State Phys. 45, 75 (1991).
69. S. Auer and D. Frenkel, Nature (London) 409, 1020 (2001). NATUAS 0028-0836 10.1038/35059035
70. T. S. Ingebrigtsen, J. R. Errington, T. M. Truskett, and J. C. Dyre, Phys. Rev. Lett. 111, 235901 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.111.235901
71. L. Separdar, N. P. Bailey, T. B. Schrøder, S. Davatolhagh, and J. C. Dyre, J. Chem. Phys. 138, 154505 (2013). 10.1063/1.4799273
72. C. M. Roland, Soft Matter 4, 2316 (2008). 1744-683X 10.1039/b804794d
73. S. Urban and C. M. Roland, J. Non-Cryst. Solids 357, 740 (2011). JNCSBJ 0022-3093 10.1016/j.jnoncrysol.2010.05.093