Monte Carlo simulations of the solid-liquid transition in hard spheres and colloid-polymer mixtures

Journal of Chemical Physics

Volumn 133, Issue 1, 2010, Pages

  Zykova Timan, T ^a   Horbach, J ^b   Binder, K ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b GERMAN AEROSPACE CENTER DLR   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ASAKURA-OOSAWA MODELS; BOLTZMANN CONSTANTS; BULK LIQUID; COLLOID INTERACTIONS; COLLOID-POLYMER MIXTURE; CONSTANT PRESSURES; CRYSTALLINE PLANES; CRYSTALLINE REGIONS; DEGREES OF FREEDOM; EFFECTIVE POTENTIALS; FCC PHASE; HARD SPHERES; HARD-SPHERE SYSTEM; INTERFACIAL PROPERTY; INTERFACIAL STIFFNESS; LIQUID PHASIS; LIQUID-SOLID TRANSITION; MONTE CARLO SIMULATION; ORDER PARAMETER; PACKING FRACTIONS; POLYMER SIZES; SIMULATION BOXES; SOLID-LIQUID INTERFACES; SOLID-LIQUID SYSTEM; SOLID-LIQUID TRANSITION; SYSTEM SIZE;

COLLOID CHEMISTRY; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; LIQUIDS; MONTE CARLO METHODS; POLYMERS; SPHERES;

PHASE INTERFACES;

EID: 77954598111     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3455504     Document Type: Article

References (72)

1. K. Schätzel and B. J. Ackerson, Phys. Rev. Lett. PRLTAO 0031-9007 68, 337 (1992). 10.1103/PhysRevLett.68.337
2. J. L. Harland and W. van Megen, Phys. Rev. E PLEEE8 1063-651X 55, 3054 (1997). 10.1103/PhysRevE.55.3054
3. H. J. Schöpe, G. Bryant, and W. van Megen, Phys. Rev. Lett. PRLTAO 0031-9007 96, 175701 (2006). 10.1103/PhysRevLett.96.175701
4. U. Gasser, E. R. Weeks, A. Schofield, P. N. Pusey, and D. A. Weitz, Science SCIEAS 0036-8075 292, 258 (2001). 10.1126/science.1058457 (Pubitemid 32295378)
5. R. P. A. Dullens, D. G. A. L. Aarts, and W. K. Kegel, Phys. Rev. Lett. PRLTAO 0031-9007 97, 228301 (2006). 10.1103/PhysRevLett.97.228301 (Pubitemid 44838381)
6. V. Prasad, D. Semwogerere, and E. R. Weeks, J. Phys.: Condens. Matter JCOMEL 0953-8984 19, 113102 (2007). 10.1088/0953-8984/19/11/113102 (Pubitemid 46375681)
7. J. Hernández-Guzmán and E. R. Weeks, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 106, 15198 (2009). 10.1073/pnas.0904682106
8. R. L. Davidchack and B. Laird, Phys. Rev. Lett. PRLTAO 0031-9007 85, 4751 (2000). 10.1103/PhysRevLett.85.4751 (Pubitemid 32070413)
9. R. L. Davidchack, J. R. Morris, and B. B. Laird, J. Chem. Phys. JCPSA6 0021-9606 125, 094710 (2006). 10.1063/1.2338303 (Pubitemid 44370736)
10. Y. Mu, A. Houk, and X. Song, J. Phys. Chem. B JPCBFK 1089-5647 109, 6500 (2005). 10.1021/jp046289e (Pubitemid 40552533)
11. T. Zykova-Timan, R. E. Rozas, J. Horbach, and K. Binder, J. Phys.: Condens. Matter JCOMEL 0953-8984 21, 464102 (2009). 10.1088/0953-8984/21/46/ 464102
12. W. A. Curtin, Phys. Rev. B PRBMDO 0163-1829 39, 6775 (1989). 10.1103/PhysRevB.39.6775
13. G. Kahl and H. Löwen, J. Phys.: Condens. Matter JCOMEL 0953-8984 21, 464101 (2009). 10.1088/0953-8984/21/46/464101
14. D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 81, 3188 (1984). 10.1063/1.448024
15. J. M. Polson and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 109, 318 (1998). 10.1063/1.476566 (Pubitemid 128678831)
16. N. B. Wilding and A. D. Bruce, Phys. Rev. Lett. PRLTAO 0031-9007 85, 5138 (2000). 10.1103/PhysRevLett.85.5138 (Pubitemid 32871793)
17. J. R. Errington, J. Chem. Phys. JCPSA6 0021-9606 120, 3130 (2004). 10.1063/1.1642591
18. C. Vega and E. G. Noya, J. Chem. Phys. JCPSA6 0021-9606 127, 154113 (2007). 10.1063/1.2790426 (Pubitemid 351260748)
19. M. Amini and B. B. Laird, Phys. Rev. Lett. PRLTAO 0031-9007 97, 216102 (2006). 10.1103/PhysRevLett.97.216102 (Pubitemid 44800110)
20. M. Dijkstra, J. M. Brader, and R. Evans, J. Phys.: Condens. Matter JCOMEL 0953-8984 11, 10079 (1999). 10.1088/0953-8984/11/50/304
21. M. Dijkstra, R. van Roij, R. Roth, and A. Fortini, Phys. Rev. E PLEEE8 1063-651X 73, 041404 (2006). 10.1103/PhysRevE.73.041404
22. A. Werner, F. Schmid, M. Müller, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 107, 8175 (1997). 10.1063/1.475118
23. A. Werner, F. Schmid, M. Müller, and K. Binder, Phys. Rev. E PLEEE8 1063-651X 59, 728 (1999). 10.1103/PhysRevE.59.728
24. A. Werner, M. Müller, F. Schmid, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 110, 1221 (1999). 10.1063/1.478164
25. K. Binder and M. Müller, Int. J. Mod. Phys. C IJMPEO 0129-1831 11, 1093 (2000). 10.1142/S012918310000095X (Pubitemid 33211783)
26. D. G. A. L. Aarts, M. Schmidt, and H. N. Lekkerkerker, Science SCIEAS 0036-8075 304, 847 (2004). 10.1126/science.1097116 (Pubitemid 38620178)
27. R. L. C. Vink, J. Horbach, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 122, 134905 (2005). 10.1063/1.1866072 (Pubitemid 41237254)
28. S. Wolfsheimer, C. Tanase, K. Shundyak, R. van Roij, and T. Schilling, Phys. Rev. E PLEEE8 1063-651X 73, 061703 (2006). 10.1103/PhysRevE.73.061703 (Pubitemid 43877352)
29. J. J. Hoyt, M. Asta, and A. Karma, Phys. Rev. Lett. PRLTAO 0031-9007 86, 5530 (2001). 10.1103/PhysRevLett.86.5530 (Pubitemid 32548958)
30. M. Asta, J. J. Hoyt, and A. Karma, Phys. Rev. B PRBMDO 0163-1829 66, 100101 (R) (2002). 10.1103/PhysRevB.66.100101
31. J. R. Morris, Phys. Rev. B PRBMDO 0163-1829 66, 144104 (2002). 10.1103/PhysRevB.66.144104
32. D. Y. Sun, M. Asta, and J. J. Hoyt, Phys. Rev. B PRBMDO 0163-1829 69, 174103 (2004). 10.1103/PhysRevB.69.174103
33. M. Amini and B. B. Laird, Phys. Rev. B PRBMDO 0163-1829 78, 144112 (2008). 10.1103/PhysRevB.78.144112
34. J. R. Morris and X. Song, J. Chem. Phys. JCPSA6 0021-9606 119, 3920 (2003). 10.1063/1.1591725
35. C. A. Becker, D. L. Olmsted, M. Asta, J. J. Hoyt, and S. M. Foiles, Phys. Rev. B PRBMDO 0163-1829 79, 054109 (2009). 10.1103/PhysRevB.79.054109
36. X. Feng and B. B. Laird, J. Chem. Phys. JCPSA6 0021-9606 124, 044707 (2006). 10.1063/1.2149859 (Pubitemid 43166353)
37. K. R. Mecke and S. Dietrich, Phys. Rev. E PLEEE8 1063-651X 59, 6766 (1999). 10.1103/PhysRevE.59.6766
38. B. J. Alder and T. E. Wainwright, J. Chem. Phys. JCPSA6 0021-9606 27, 1208 (1957). 10.1063/1.1743957
39. W. W. Wood and J. D. Jacobson, J. Chem. Phys. JCPSA6 0021-9606 27, 1207 (1957). 10.1063/1.1743956
40. W. G. Hoover and F. H. Ree, J. Chem. Phys. JCPSA6 0021-9606 49, 3609 (1968). 10.1063/1.1670641
41. N. F. Carnahan and K. E. Starling, J. Chem. Phys. JCPSA6 0021-9606 51, 635 (1969). 10.1063/1.1672048
42. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, New York, 1986).
43. K. R. Hall, J. Chem. Phys. JCPSA6 0021-9606 57, 2252 (1972). 10.1063/1.1678576
44. R. J. Speedy, Mol. Phys. MOPHAM 0026-8976 95, 169 (1998).
45. A. P. Gast, C. K. Hall, and W. B. Russel, J. Colloid Interface Sci. JCISA5 0021-9797 96, 251 (1983). 10.1016/0021-9797(83)90027-9
46. H. N. W. Lekkerkerker, W. C. K. Poon, P. N. Pusey, A. Stroobants, and P. Warren, Europhys. Lett. EULEEJ 0295-5075 20, 559 (1992). 10.1209/0295-5075/20/6/ 015
47. S. Asakura and F. Oosawa, J. Chem. Phys. JCPSA6 0021-9606 22, 1255 (1954).
48. S. Asakura and F. Oosawa, J. Polym. Sci., Polym. Phys. Ed. JPLPAY 0098-1273 23, 183 (1958).
49. A. Vrij, Pure Appl. Chem. PACHAS 0033-4545 48, 471 (1976). 10.1351/pac197648040471
50. E. J. Meijer and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 100, 6873 (1994). 10.1063/1.467003
51. P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, 1953).
52. R. L. C. Vink, A. Jusufi, J. Dzubiella, and C. N. Likos, Phys. Rev. E PLEEE8 1063-651X 72, 030401 (R) (2005). 10.1103/PhysRevE.72.030401 (Pubitemid 41778041)
53. J. Zausch, P. Virnau, J. Horbach, R. L. C. Vink, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 130, 064906 (2009). 10.1063/1.3071197
54. J. Zausch, J. Horbach, P. Virnau, and K. Binder, J. Phys.: Condens. Matter JCOMEL 0953-8984 22, 104120 (2010). 10.1088/0953-8984/22/10/104120
55. M. Dijkstra and R. van Roij, Phys. Rev. Lett. PRLTAO 0031-9007 89, 208303 (2002). 10.1103/PhysRevLett.89.208303
56. D. P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics (Cambridge University Press, Cambridge, 2000).
57. D. Frenkel and B. Smit, Understanding Molecular Simulation, Computational Science Series (Academic, San Diego, CA, 2002).
58. W. Krauth, Statistical Mechanics: Algorithms and Computations (Oxford University Press, Oxford, 2006).
59. P. J. Steinhardt, D. R. Nelson, and M. Ronchetti, Phys. Rev. B PRBMDO 0163-1829 28, 784 (1983). 10.1103/PhysRevB.28.784
60. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, Phys. Rev. Lett. PRLTAO 0031-9007 75, 2714 (1995). 10.1103/PhysRevLett.75.2714
61. J. R. Morris and X. Song, J. Chem. Phys. JCPSA6 0021-9606 116, 9352 (2002). 10.1063/1.1474581 (Pubitemid 34632523)
62. F. P. Buff, R. A. Lovett, and F. H. Stillinger, Phys. Rev. Lett. PRLTAO 0031-9007 15, 621 (1965). 10.1103/PhysRevLett.15.621
63. J. D. Weeks, J. Chem. Phys. JCPSA6 0021-9606 67, 3106 (1977). 10.1063/1.435276
64. D. Bedeaux and J. D. Weeks, J. Chem. Phys. JCPSA6 0021-9606 82, 972 (1985). 10.1063/1.448474
65. M. P. Gelfand and M. E. Fisher, Physica A PHYADX 0378-4371 166, 1 (1990). 10.1016/0378-4371(90)90099-E
66. T. Kerle, J. Klein, and K. Binder, Eur. Phys. J. B EPJBFY 1434-6028 7, 401 (1999). 10.1007/s100510050628
67. W. J. Shugard, J. D. Weeks, and G. H. Gilmer, Phys. Rev. Lett. PRLTAO 0031-9007 31, 549 (1978).
68. E. Bürkner and D. Stuffer, Z. Phys. B: Condens. Matter ZPCMDN 0722-3277 53, 241 (1983). 10.1007/BF01388545
69. K. K. Mon, S. Wansleben, D. P. Landau, and K. Binder, Phys. Rev. Lett. PRLTAO 0031-9007 60, 708 (1988). 10.1103/PhysRevLett.60.708
70. K. K. Mon, S. Wansleben, D. P. Landau, and K. Binder, Phys. Rev. B PRBMDO 0163-1829 39, 7089 (1989). 10.1103/PhysRevB.39.7089
71. F. Schmid and K. Binder, Phys. Rev. B PRBMDO 0163-1829 46, 13565 (1992). 10.1103/PhysRevB.46.13565
72. M. Müller and G. Münster, J. Stat. Phys. JSTPBS 0022-4715 118, 669 (2005). 10.1007/s10955-004-8824-2