Large scale molecular dynamics simulations of homogeneous nucleation

Journal of Chemical Physics

Volumn 139, Issue 7, 2013, Pages

  Diemand, Jürg ^a   Angélil, Raymond ^a   Tanaka, Kyoko K ^b   Tanaka, Hidekazu ^b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY FUNCTION; HOMOGENEOUS NUCLEATION; LABORATORY EXPERIMENTS; LARGE-SCALE MOLECULAR DYNAMICS; MOLECULAR DYNAMICS SIMULATIONS; NUCLEATION EXPERIMENTS; SUPERSATURATION RATIO; VERY LOW TEMPERATURES;

COMPUTER SIMULATION; EXPERIMENTS; MOLECULAR DYNAMICS; VAPORS;

NUCLEATION;

EID: 84903362108     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4818639     Document Type: Article

References (70)

1. V. I. Kalikmanov, Nucleation Theory, Lecture Notes in Physics Vol. 860 (Springer, Dordrecht, 2013).
2. M. Volmer and A. Weber, Z. Phys. Chem. 119, 277 (1926).
3. R. Becker and W. Döring, Ann. Phys. 416, 719 (1935). 10.1002/andp.19354160806
4. J. Zeldovich, J. Exp. Theor. Phys. 12, 525 (1942).
5. J. Feder, K. Russell, J. Lothe, and G. Pound, Adv. Phys. 15, 111 (1966). 10.1080/00018736600101264
6. J. L. Schmitt, G. W. Adams, and R. A. Zalabsky, J. Chem. Phys. 77, 2089 (1982). 10.1063/1.444014
7. J. L. Schmitt, R. A. Zalabsky, and G. W. Adams, J. Chem. Phys. 79, 4496 (1983). 10.1063/1.446336
8. G. W. Adams, J. L. Schmitt, and R. A. Zalabsky, J. Chem. Phys. 81, 5074 (1984). 10.1063/1.447496
9. D. Wright, R. Caldwell, C. Moxely, and M. S. El-Shall, J. Chem. Phys. 98, 3356 (1993). 10.1063/1.464108
10. Y. Viisanen, R. Strey, and H. Reiss, J. Chem. Phys. 99, 4680 (1993). 10.1063/1.466066
11. Y. Viisanen and R. Strey, J. Chem. Phys. 101, 7835 (1994). 10.1063/1.468208
12. M. P. Anisimov, P. K. Hopke, I. N. Shaimordanov, S. D. Shandakov, and L.-E. Magnusson, J. Chem. Phys. 115, 810 (2001). 10.1063/1.1379571
13. K. K. Tanaka, H. Tanaka, T. Yamamoto, and K. Kawamura, J. Chem. Phys. 134, 204313 (2011). 10.1063/1.3593459
14. V. I. Kalikmanov, J. Wölk, and T. Kraska, J. Chem. Phys. 128, 124506 (2008). 10.1063/1.2888995
15. I. Napari, J. Julin, and H. Vehkamäki, J. Chem. Phys. 133, 154503 (2010). 10.1063/1.3502643
16. B. N. Hale and M. Thomason, Phys. Rev. Lett. 105, 046101 (2010). 10.1103/PhysRevLett.105.046101
17. K. Laasonen, S. Wonczak, R. Strey, and A. Laaksonen, J. Chem. Phys. 113, 9741 (2000). 10.1063/1.1322082
18. Understanding Molecular Simulation: From Algorithms to Applications, edited by, D. Frenkel, and, B. Smit, 1st ed. (Academic Press, Inc., Orlando, FL, 1996).
19. P. R. ten Wolde and D. Frenkel, J. Chem. Phys. 109, 9901 (1998). 10.1063/1.477658
20. G. Chkonia, J. Wölk, R. Strey, J. Wedekind, and D. Reguera, J. Chem. Phys. 130, 064505 (2009). 10.1063/1.3072794
21. K. K. Tanaka, K. Kawamura, H. Tanaka, and K. Nakazawa, J. Chem. Phys. 122, 184514 (2005). 10.1063/1.1896345
22. J. Wedekind, J. Wölk, D. Reguera, and R. Strey, J. Chem. Phys. 127, 154515 (2007). 10.1063/1.2784122
23. K. Yasuoka and M. Matsumoto, J. Chem. Phys. 109, 8451 (1998). 10.1063/1.477509
24. K. Yasuoka and M. Matsumoto, J. Chem. Phys. 109, 8463 (1998). 10.1063/1.477510
25. S. Toxvaerd, J. Chem. Phys. 115, 8913 (2001). 10.1063/1.1412608
26. S. Toxvaerd, J. Chem. Phys. 119, 10764 (2003). 10.1063/1.1621855
27. I. Kusaka, Z.-G. Wang, and J. H. Seinfeld, J. Chem. Phys. 108, 3416 (1998). 10.1063/1.475741
28. K. J. Oh and X. C. Zeng, J. Chem. Phys. 110, 4471 (1999). 10.1063/1.478331
29. B. Senger, P. Schaaf, D. S. Corti, R. Bowles, D. Pointu, J.-C. Voegel, and H. Reiss, J. Chem. Phys. 110, 6438 (1999). 10.1063/1.478546
30. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 110, 1591 (1999). 10.1063/1.477799
31. K. J. Oh and X. C. Zeng, J. Chem. Phys. 112, 294 (2000). 10.1063/1.480580
32. B. Chen, J. I. Siepmann, K. J. Oh, and M. L. Klein, J. Chem. Phys. 115, 10903 (2001). 10.1063/1.1417536
33. S. Yoo, K. J. Oh, and X. C. Zeng, J. Chem. Phys. 115, 8518 (2001). 10.1063/1.1409364
34. J. Merikanto, E. Zapadinsky, A. Lauri, I. Napari, and H. Vehkamäki, J. Chem. Phys. 127, 104303 (2007). 10.1063/1.2766719
35. D. W. Oxtoby and R. Evans, J. Chem. Phys. 89, 7521 (1988). 10.1063/1.455285
36. A. Dillmann and G. E. A. Meier, J. Chem. Phys. 94, 3872 (1991). 10.1063/1.460663
37. C. F. Delale and G. E. A. Meier, J. Chem. Phys. 98, 9850 (1993). 10.1063/1.464363
38. A. Laaksonen, I. Ford, and M. Kulmala, Phys. Rev. E 49, 5517 (1994). 10.1103/PhysRevE.49.5517
39. V. I. Kalikmanov and M. E. H. van Dongen, J. Chem. Phys. 103, 4250 (1995). 10.1063/1.470662
40. R. McGraw and A. Laaksonen, J. Chem. Phys. 106, 5284 (1997). 10.1063/1.473527
41. M. Horsch, J. Vrabec, and H. Hasse, Phys. Rev. E 78, 011603 (2008). 10.1103/PhysRevE.78.011603
42. S. Sinha, A. Bhabhe, H. Laksmono, J. Wölk, R. Strey, and B. Wyslouzil, J. Chem. Phys. 132, 064304 (2010). 10.1063/1.3299273
43. D. W. Oxtoby, J. Phys.: Condens. Matter 4, 7627 (1992). 10.1088/0953-8984/4/38/001
44. S. L. Girshick and C.-P. Chiu, J. Chem. Phys. 93, 1273 (1990). 10.1063/1.459191
45. I. Ford, Phys. Rev. E 56, 5615 (1997). 10.1103/PhysRevE.56.5615
46. S. Plimpton, J. Comput. Phys. 117, 1 (1995). 10.1006/jcph.1995.1039
47. A. Trokhymchuk and J. Alejandre, J. Chem. Phys. 111, 8510 (1999). 10.1063/1.480192
48. I. Napari and A. Laaksonen, J. Chem. Phys. 114, 5796 (2001). 10.1063/1.1354165
49. D. Dunikov, S. Malyshenko, and V. Zhakhovskii, J. Chem. Phys. 115, 6623 (2001). 10.1063/1.1396674
50. V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova, and G. G. Chernykh, J. Chem. Phys. 126, 214505 (2007). 10.1063/1.2734964
51. T. Kraska, J. Chem. Phys. 124, 054507 (2006). 10.1063/1.2162882
52. M. Mecke, J. Winkelmann, and J. Fischer, J. Chem. Phys. 107, 9264 (1997). 10.1063/1.475217
53. J. Wedekind, D. Reguera, and R. Strey, J. Chem. Phys. 127, 064501 (2007). 10.1063/1.2752154
54. F. Panneton, P. L'Ecuyer, and M. Matsumoto, ACM Trans. Math. Softw. 32, 1 (2006). 10.1145/1132973.1132974
55. F. H. Stillinger, J. Chem. Phys. 38, 1486 (1963). 10.1063/1.1776907
56. J. Wedekind and D. Reguera, J. Chem. Phys. 127, 154516 (2007). 10.1063/1.2786457
57. H. Matsubara, T. Koishi, T. Ebisuzaki, and K. Yasuoka, J. Chem. Phys. 127, 214507 (2007). 10.1063/1.2803899
58. V. Shneidman, K. Jackson, and K. Beatty, Phys. Rev. B 59, 3579 (1999). 10.1103/PhysRevB.59.3579
59. J. Wedekind, R. Strey, and D. Reguera, J. Chem. Phys. 126, 134103 (2007). 10.1063/1.2713401
60. K. Iland, J. Wölk, R. Strey, and D. Kashchiev, J. Chem. Phys. 127, 154506 (2007). 10.1063/1.2764486
61. S. Sinha, H. Laksmono, and B. E. Wyslouzil, Rev. Sci. Instrum. 79, 114101 (2008). 10.1063/1.3006002
62. A. Michels, H. Wijker, and H. Wijker, Physica 15, 627 (1949). 10.1016/0031-8914(49)90119-6
63. B. N. Hale, Phys. Rev. A 33, 4156 (1986). 10.1103/PhysRevA.33.4156
64. J. J. Potoff and A. Z. Panagiotopoulos, J. Chem. Phys. 109, 10914 (1998). 10.1063/1.477787
65. J. Pérez-Pellitero, P. Ungerer, G. Orkoulas, and A. D. Mackie, J. Chem. Phys. 125, 054515 (2006). 10.1063/1.2227027
66. M. J. McGrath, J. N. Ghogomu, N. T. Tsona, J. I. Siepmann, B. Chen, I. Napari, and H. Vehkamäki, J. Chem. Phys. 133, 084106 (2010). 10.1063/1.3474945
67. W. Shi and J. K. Johnson, Fluid Phase Equilib. 187, 171 (2001). 10.1016/S0378-3812(01)00534-9
68. NIST Chemistry WebBook, NIST Standard Reference Database No. 69, edited by, P. J. Linstrom, and, W. Mallard, (National Institute of Standards and Technology, 2001).
69. J. C. Barrett and A. P. Knight, J. Chem. Phys. 128, 086101 (2008). 10.1063/1.2830721
70. Angélil, " Properties of liquid clusters in large scale MD nucleation simulations.," (unpublished).