The ensemble switch method for computing interfacial tensions

Journal of Chemical Physics

Volumn 142, Issue 14, 2015, Pages

  Schmitz, Fabian ^a   Virnau, Peter ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

INTELLIGENT SYSTEMS; LIQUIDS; PHASE INTERFACES;

ASAKURA-OOSAWA MODELS; FINITE SIZE ANALYSIS; FINITE SIZE SCALING TECHNIQUES; LENNARD-JONES MODEL; LIQUID-VAPOR INTERFACE; SIMULATION DATA; SOLID-LIQUID INTERFACES; THERMODYNAMIC INTEGRATION;

MONTE CARLO METHODS;

EID: 84927658456     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4916317     Document Type: Article

References (79)

1. M. Volmer and A. Weber, Z. Phys. Chem. 119, 277 (1926).
2. R. Becker and W. Döring, Ann. Phys. (Leipzig) 416, 719 (1935). 10.1002/andp.19354160806
3. Ya. B. Zeldovich, Acta Physicochim. USSR 18, 1 (1943).
4. J. Feder, K. C. Russell, J. Lothe, and G. M. Pound, Adv. Phys. 15, 111 (1966). 10.1080/00018736600101264
5. H. Reiss, J. L. Katz, and E. R. Cohen, J. Stat. Phys. 2, 83 (1968). 10.1007/BF01009712
6. Nucleation, edited by A. C. Zettlemoyer (M. Dekker, New York, 1969), Vol. 7.
7. J. S. Langer, Ann. Phys. 54, 258 (1969). 10.1016/0003-4916(69)90153-5
8. F. F. Abraham, Homogeneous Nucleation Theory; The Pretransition Theory of Vapor Condensation (Academic Press, New York, 1974), p. xiv, p. 263.
9. K. Binder and D. Stauffer, Adv. Phys. 25, 343 (1976). 10.1080/00018737600101402
10. K. Binder, Rep. Prog. Phys. 50, 783 (1987). 10.1088/0034-4885/50/7/001
11. D. W. Oxtoby and R. Evans, J. Chem. Phys. 89, 7521 (1988). 10.1063/1.455285
12. A. Dillmann and G. E. A. Meier, Chem. Phys. Lett. 89, 71 (1989). 10.1016/0009-2614(89)87558-X
13. H. Reiss, A. Tabazadeh, and J. Talbot, J. Chem. Phys. 92, 1266 (1990). 10.1063/1.458136
14. D. W. Oxtoby, J. Phys.: Condens. Matter 4, 7627 (1992). 10.1088/0953-8984/4/38/001
15. A. Laaksonen, V. Talanquer, and D. W. Oxtoby, Ann. Rev. Phys. Chem. 46, 489 (1995). 10.1146/annurev.pc.46.100195.002421
16. P. R. ten Wolde and D. Frenkel, J. Chem. Phys. 109, 9901 (1998). 10.1063/1.477658
17. A. C. Pan and D. Chandler, J. Phys. Chem. B 108, 19681 (2004). 10.1021/jp0471249
18. Nucleation special issue, edited by S. Balibar and J. Villain (Elsevier, 2006), Vol. 7, pp. 943-1132.
19. D. Winter, P. Virnau, and K. Binder, J. Phys.: Condens. Matter 21, 464118 (2009). 10.1088/0953-8984/21/46/464118
20. S. Ryu and W. Cai, Phys. Rev. E 81, 030601(R) (2010). 10.1103/PhysRevE.81.030601
21. G. V. Wulff, Z. Kristallogr.-Cryst. Mater. 34, 449 (1901). 10.1524/zkri.1901.34.1.449
22. D. Kashchiev, Nucleation, Basic Theory with Applications (Butterworth-Heinemann, Oxford, 2000).
23. R. Napolitano, S. Liu, and R. Trivedi, Interface Sci. 10, 217 (2002). 10.1023/A:1015884415896
24. F. Schmitz, P. Virnau, and K. Binder, Phys. Rev. E 87, 053302 (2013). 10.1103/PhysRevE.87.053302
25. S. Prestipino, A. Laio, and E. Tosatti, J. Chem. Phys. 138, 064508 (2013). 10.1063/1.4790635
26. P.-G. de Gennes, F. Brochard-Wyart, and D. Quere, Capillarity and Wetting Phenomena: Drops, Bubbles, Pearls, Waves (Springer, New York, 2003).
27. D. Bonn, J. Eggers, J. Indekeu, J. Meunier, and E. Rolley, Rev. Mod. Phys. 81, 739 (2009). 10.1103/RevModPhys.81.739
28. Kinetics of Phase Transitions, edited by S. Puri and V. Wadhavan (CRC Press, Boca Raton, 2009).
29. L. D. Gelb, K. E. Gubbins, R. Radhakrishnan, and M. Sliwinska-Bartkowiak, Rep. Prog. Phys. 62, 1573 (1999). 10.1088/0034-4885/62/12/201
30. Interfacial and Confined Water, edited by I. Brovchenko and A. Oleinikova (Elsevier, Amsterdam, 2008).
31. D. Wilms, A. Winkler, P. Virnau, and K. Binder, Phys. Rev. Lett. 105, 045701 (2010). 10.1103/PhysRevLett.105.045701
32. G. Navascues, Rep. Prog. Phys. 42, 1131 (1979). 10.1088/0034-4885/42/7/002
33. M. Glicksman and N. Singh, J. Cryst. Growth 98, 277 (1989). 10.1016/0022-0248(89)90142-5
34. M. Muschol, D. Liu, and H. Z. Cummins, Phys. Rev. A 46, 1038 (1992). 10.1103/PhysRevA.46.1038
35. J. M. Howe, Interfaces in Materials (Wiley, New York, 1997).
36. A. W. Adamson and A. P. Gast, Physical Chemistry of Surfaces (Wiley-Interscience, New York, 1997).
37. K. Binder, Phys. Rev. A 25, 1699 (1982). 10.1103/PhysRevA.25.1699
38. J. S. Rowlinson and B. Widom, Molecular Theory of Capillarity (Oxford University Press, Oxford, 1982), Vol. 8.
39. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1989).
40. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, Computational Science, 2nd ed. (Academic Press, 2001).
41. B. M. Mognetti, P. Virnau, L. Yelash, W. Paul, K. Binder, M. Müller, and L. G. MacDowell, J. Chem. Phys. 130, 044101 (2009). 10.1063/1.3050353
42. D. W. M. Marr, J. Chem. Phys. 102, 8283 (1995). 10.1063/1.468961
43. R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. 85, 4751 (2000). 10.1103/PhysRevLett.85.4751
44. Y. Mu, A. Houk, and X. Song, J. Phys. Chem. B 109, 6500 (2005). 10.1021/jp046289e
45. R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. 94, 086102 (2005). 10.1103/PhysRevLett.94.086102
46. R. L. Davidchack, J. R. Morris, and B. B. Laird, J. Chem. Phys. 125, 094710 (2006). 10.1063/1.2338303
47. R. L. Davidchack, J. Chem. Phys. 133, 234701 (2010). 10.1063/1.3514144
48. L. A. Fernandez, V. Martin-Mayor, B. Seoane, and P. Verrocchio, Phys. Rev. Lett. 108, 165701 (2012). 10.1103/PhysRevLett.108.165701
49. R. Benjamin and J. Horbach, Phys. Rev. E 91, 032410 (2015). 10.1103/physreve.91.032410
50. J. Q. Broughton and G. H. Gilmer, J. Chem. Phys. 84, 5759 (1986). 10.1063/1.449884
51. R. E. Rozas and J. Horbach, EPL 93, 26006 (2011). 10.1209/0295-5075/93/26006
52. W. R. Fehlner and S. H. Vosko, Can. J. Phys. 54, 2159 (1976). 10.1139/p76-256
53. R. Benjamin and J. Horbach, J. Chem. Phys. 141, 044715 (2014). 10.1063/1.4891220
54. M. Schrader, P. Virnau, and K. Binder, Phys. Rev. E 79, 061104 (2009). 10.1103/PhysRevE.79.061104
55. K. Binder, B. Block, S. K. Das, P. Virnau, and D. Winter, J. Stat. Phys. 144, 690 (2011). 10.1007/s10955-011-0226-7
56. F. Schmitz, P. Virnau, and K. Binder, Phys. Rev. Lett. 112, 125701 (2014). 10.1103/PhysRevLett.112.125701
57. D. Deb, A. Winkler, M. H. Yamani, M. Oettel, P. Virnau, and K. Binder, J. Chem. Phys. 134, 214706 (2011). 10.1063/1.3593197
58. D. Deb, D. Wilms, A. Winkler, P. Virnau, and K. Binder, Int. J. Mod. Phys. C 23, 1240011 (2012). 10.1142/S0129183112400116
59. D. Deb, A. Winkler, P. Virnau, and K. Binder, J. Chem. Phys. 136, 134710 (2012). 10.1063/1.3699981
60. F. Schmitz, P. Virnau, and K. Binder, Phys. Rev. E 90, 012128 (2014). 10.1103/PhysRevE.90.012128
61. P. Virnau and M. Müller, J. Chem. Phys. 120, 10925 (2004). 10.1063/1.1739216
62. P. Virnau, M. Müller, L. G. MacDowell, and K. Binder, J. Chem. Phys. 121, 2169 (2004). 10.1063/1.1765103
63. B. A. Berg and T. Neuhaus, Phys. Rev. Lett. 68, 9 (1992). 10.1103/PhysRevLett.68.9
64. J. E. Hunter III and W. P. Reinhardt, J. Chem. Phys. 103, 8627 (1995). 10.1063/1.470121
65. J. J. Potoff and A. Z. Panagiotopoulos, J. Chem. Phys. 112, 6411 (2000). 10.1063/1.481204
66. F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001). 10.1103/PhysRevLett.86.2050
67. B. J. Block, S. K. Das, M. Oettel, P. Virnau, and K. Binder, J. Chem. Phys. 133, 154702 (2010). 10.1063/1.3493464
68. T. Zykova-Timan, J. Horbach, and K. Binder, J. Chem. Phys. 133, 014705 (2010). 10.1063/1.3455504
69. G. L. Hunter and E. R. Weeks, Rep. Prog. Phys. 75, 066501 (2012). 10.1088/0034-4885/75/6/066501
70. F. Oosawa and S. Asakura, J. Chem. Phys. 22, 1255 (1954). 10.1063/1.1740346
71. S. Asakura and F. Oosawa, J. Polym. Sci. 33, 183 (1958). 10.1002/pol.1958.1203312618
72. M. Dijkstra, J. M. Brader, and R. Evans, J. Phys.: Condens. Matter 11, 10079 (1999). 10.1088/0953-8984/11/50/304
73. K. Binder, P. Virnau, and A. Statt, J. Chem. Phys. 141, 140901 (2014). 10.1063/1.4896943
74. M. P. Gelfand and M. E. Fisher, Physica A 166, 1 (1990). 10.1016/0378-4371(90)90099-E
75. M. Caselle, M. Hasenbusch, and M. Panero, J. High Energy Phys. 2006, 084. 10.1088/1126-6708/2006/03/084
76. E. Brézin and J. Zinn-Justin, Nucl. Phys. B 257, 867 (1985). 10.1016/0550-3213(85)90379-7
77. High Performance Computing in Science and Engineering'14, edited by W. E. Nagel, D. H. Kröner, and M. M. Resch (Springer, 2015).
78. S. M. Ilett, A. Orrock, W. C. K. Poon, and P. N. Pusey, Phys. Rev. E 51, 1344 (1995). 10.1103/PhysRevE.51.1344
79. B. Block, D. Deb, F. Schmitz, A. Statt, A. Tröster, A. Winkler, T. Zykova-Timan, P. Virnau, and K. Binder, Eur. Phys. J.: Spec. Top. 223, 347 (2014). 10.1140/epjst/e2014-02095-0