Computation of nucleation at a nonequilibrium first-order phase transition using a rare-event algorithm

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Adams, David A ^a   Ziff, Robert M ^a   Sander, Leonard M ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC SURFACES; FIRST-ORDER; FIRST-ORDER PHASE TRANSITIONS; KINETIC TRANSITION; NON EQUILIBRIUM; NONEQUILIBRIUM SYSTEM; SPINODALS; TIME ALGORITHMS; TRANSITION POINT; TRANSITION TIME; ZIFF-GULARI-BARSHAD MODEL;

ALGORITHMS; SURFACE REACTIONS;

PHASE TRANSITIONS;

EID: 78650650409     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3499321     Document Type: Article

References (44)

1. H. Andersson and T. Britton, Stochastic Epidemic Models and Their Statistical Analysis (Springer, New York, 2000).
2. M. S. Bartlett, Stochastic Population Models in Ecology and Epidemiology (Wiley, New York, 1961).
3. J. Medhi, Stochastic Models in Queueing Theory (Academic, Boston, 2003).
4. N. G. van Kampen, Stochastic Processes in Physics and Chemistry (North-Holland, Amsterdam, 2007).
5. P. G. Bolhuis, D. Chandler, C. Dellago, and P. L. Geissler, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 53, 291 (2002). 10.1146/annurev.physchem.53.082301. 113146 (Pubitemid 35336255)
6. T. S. van Erp, D. Moroni, and P. G. Bolhuis, J. Chem. Phys. JCPSA6 0021-9606 118, 7762 (2003). 10.1063/1.1562614
7. A. K. Faradjian and R. Elber, J. Chem. Phys. JCPSA6 0021-9606 120, 10880 (2004). 10.1063/1.1738640
8. W. E, Q. Ren, and E. Vanden-Eijnden J. Phys. Chem. B JPCBFK 1089-5647 109, 6688 (2005). 10.1021/jp0455430 (Pubitemid 40552536)
9. G. A. Huber and S. Kim, Biophys. J. BIOJAU 0006-3495 70, 97 (1996). 10.1016/S0006-3495(96)79552-8
10. C. Dellago and P. G. Bolhuis, Advanced Computer Simulation Approaches for Soft Matter Sciences III (Springer-Verlag, Berlin Heidelberg, 2008), p. 167.
11. R. J. Allen, P. B. Warren, and P. R. ten Wolde, Phys. Rev. Lett. PRLTAO 0031-9007 94, 018104 (2005). 10.1103/PhysRevLett.94.018104 (Pubitemid 40620266)
12. F. A. Escobedo, E. E. Borrero, and C. A. Araque, J. Phys.: Condens. Matter JCOMEL 0953-8984 21, 333101 (2009). 10.1088/0953-8984/21/33/333101
13. R. J. Allen, C. Valeriani, and P. R. ten Wolde, J. Phys.: Condens. Matter JCOMEL 0953-8984 21, 463102 (2009). 10.1088/0953-8984/21/46/463102
14. R. J. Allen, D. Frenkel, and P. R. ten Wolde, J. Chem. Phys. JCPSA6 0021-9606 124, 024102 (2006). 10.1063/1.2140273 (Pubitemid 43100174)
15. C. Valeriani, R. J. Allen, M. J. Morelli, D. Frenkel, and P. R. ten Wolde, J. Chem. Phys. JCPSA6 0021-9606 127, 114109 (2007). 10.1063/1.2767625 (Pubitemid 47469588)
16. E. Sanz, C. Valeriani, D. Frenkel, and M. Dijkstra, Phys. Rev. Lett. PRLTAO 0031-9007 99, 055501 (2007). 10.1103/PhysRevLett.99.055501 (Pubitemid 47210246)
17. R. J. Allen, C. Valeriani, S. Tnase-Nicola, P. R. ten Wolde, and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 129, 134704 (2008). 10.1063/1.2981052
18. C. Velez-Vega, E. Borrero, and F. Escobedo, J. Chem. Phys. JCPSA6 0021-9606 130, 225101 (2009). 10.1063/1.3147465
19. R. S. Maier and D. L. Stein, Phys. Rev. Lett. PRLTAO 0031-9007 71, 1783 (1993). 10.1103/PhysRevLett.71.1783
20. R. J. Allen, D. Frenkel, and P. R. ten Wolde, J. Chem. Phys. JCPSA6 0021-9606 124, 194111 (2006). 10.1063/1.2198827 (Pubitemid 43782006)
21. R. M. Ziff, E. Gulari, and Y. Barshad, Phys. Rev. Lett. PRLTAO 0031-9007 56, 2553 (1986). 10.1103/PhysRevLett.56.2553
22. M. Ehsasi, M. Matloch, O. Frank, J. H. Block, K. Christmann, F. S. Rys, and W. Hirschwald, J. Chem. Phys. JCPSA6 0021-9606 91, 4949 (1989). 10.1063/1.456736
23. E. Machado, G. M. Buendía, and P. A. Rikvold, Phys. Rev. E PLEEE8 1063-651X 71, 031603 (2005). 10.1103/PhysRevE.71.031603 (Pubitemid 40619741)
24. E. Machado, G. M. Buendía, P. A. Rikvold, and R. M. Ziff, Phys. Rev. E PLEEE8 1063-651X 71, 016120 (2005). 10.1103/PhysRevE.71.016120 (Pubitemid 40629767)
25. S. Jakubith, H. H. Rotermund, W. Engel, A. von Oertzen, and G. Ertl, Phys. Rev. Lett. PRLTAO 0031-9007 65, 3013 (1990). 10.1103/PhysRevLett.65.3013
26. M. Kim, M. Bertram, M. Pollmann, A. von Oertzen, A. S. Mikhailov, H. H. Rotermund, and G. Ertl, Science SCIEAS 0036-8075 292, 1357 (2001). 10.1126/science.1059478 (Pubitemid 32476218)
27. J. Marro and R. Dickman, Nonequilibrium Phase Transitions (Cambridge University Press, Cambridge, 1999). 10.1017/CBO9780511524288
28. P. Meakin and D. J. Scalapino, J. Chem. Phys. JCPSA6 0021-9606 87, 731 (1987). 10.1063/1.453570
29. B. J. Brosilow and R. M. Ziff, Phys. Rev. A PLRAAN 1050-2947 46, 4534 (1992). 10.1103/PhysRevA.46.4534
30. E. S. Loscar and E. V. Albano, EPL EULEEJ 0295-5075 85, 30004 (2009). 10.1209/0295-5075/85/30004
31. R. M. Ziff and B. J. Brosilow, Phys. Rev. A PLRAAN 1050-2947 46, 4630 (1992). 10.1103/PhysRevA.46.4630
32. T. Toḿ and R. Dickman, Phys. Rev. E PLEEE8 1063-651X 47, 948 (1993). 10.1103/PhysRevE.47.948
33. J. W. Evans and M. S. Miesch, Phys. Rev. Lett. PRLTAO 0031-9007 66, 833 (1991). 10.1103/PhysRevLett.66.833
34. J. W. Evans and T. R. Ray, Phys. Rev. E PLEEE8 1063-651X 50, 4302 (1994). 10.1103/PhysRevE.50.4302
35. R. H. Goodman, D. S. Graff, L. M. Sander, P. Leroux-Hugon, and E. Cĺment, Phys. Rev. E PLEEE8 1063-651X 52, 5904 (1995). 10.1103/PhysRevE.52.5904
36. E. V. Albano, Phys. Lett. A PYLAAG 0375-9601 288, 73 (2001). 10.1016/S0375-9601(01)00526-6 (Pubitemid 32927483)
37. E. Borrero and F. Escobedo, J. Chem. Phys. JCPSA6 0021-9606 129, 024115 (2008). 10.1063/1.2953325
38. D. A. Adams, L. M. Sander, and R. M. Ziff, J. Chem. Phys. JCPSA6 0021-9606 133, 124103 (2010). 10.1063/1.3485285
39. M. Avrami, J. Chem. Phys. JCPSA6 0021-9606 7, 1103 (1939). 10.1063/1.1750380
40. X. Guo, D. Liu, and J. W. Evans, Phys. Rev. E PLEEE8 1063-651X 75, 061129 (2007). 10.1103/PhysRevE.75.061129 (Pubitemid 47143694)
41. X. Guo, D. Liu, and J. W. Evans, J. Chem. Phys. JCPSA6 0021-9606 130, 074106 (2009). 10.1063/1.3074308
42. W. E, J. Appl. Phys. JAPIAU 0021-8979 93, 2275 (2003). 10.1063/1.1536737
43. High Performance Computing and Grids in Action, edited by, L. Grandinetti, (IOS, Amsterdam, 2008).
44. C. R. Doering, K. V. Sargsyan, and L. M. Sander, Multiscale Model. Simul. MMSUBT 1540-3459 3, 283 (2005). 10.1137/030602800 (Pubitemid 40951973)