Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble

Journal of Chemical Physics

Volumn 135, Issue 15, 2011, Pages

  Lechner, Wolfgang ^a   Dellago, Christoph ^b   Bolhuis, Peter G ^a  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COLLECTIVE VARIABLES; COLLOIDAL SUSPENSIONS; CRYSTAL NUCLEATION; CRYSTAL PHASE; CRYSTALLINE NUCLEI; GAUSSIAN CORE MODELS; HOMOGENEOUS CRYSTALS; INNER CORE; LOCAL STRUCTURE; REACTION COORDINATES; REPLICA EXCHANGE; SUPERCOOLED LIQUIDS;

NUCLEATION; OPTIMIZATION; SUPERCOOLING;

SUSPENSIONS (FLUIDS);

EID: 80155157621     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3651367     Document Type: Article

References (48)

1. J. Zhu, M. Li, R. Rogers, W. Meyer, R. H. Ottewill, STS-37 Space Shuttle Crew, W. B. Russel, and P. M. Chaikin, Nature (London) 387, 883 (1997). 10.1038/43141
2. U. Gasser, E. R. Weeks, A. Schofield, P. N. Pusey, and D. A. Weitz, Science 292, 258 (2001). 10.1126/science.1058457
3. C. Dellago, P. G. Bolhuis, F. S. Csajka, and D. Chandler, J. Chem. Phys. 108, 1964 (1998). 10.1063/1.475562
4. C. Dellago, P. G. Bolhuis, and P. L. Geissler, Adv. Chem. Phys. 123, 1 (2002). 10.1002/0471231509
5. T. S. van Erp, D. Moroni, and P. G. Bolhuis, J. Chem. Phys. 118, 7762 (2003). 10.1063/1.1562614
6. R. J. Allen, D. Frenkel, and P. R. ten Wolde, J. Chem. Phys. 124, 194111 (2006). 10.1063/1.2198827
7. W. Lechner, C. Dellago, and P. G. Bolhuis, Phys. Rev. Lett. 106, 085701 (2011). 10.1103/PhysRevLett.106.085701
8. S. Auer and D. Frenkel, Adv. Polym. Sci. 173, 149 (2005). 10.1007/b99429
9. L. Filion, M. Hermes, R. Ni, and M. Dijkstra, J. Chem. Phys. 133, 244115 (2010). 10.1063/1.3506838
10. P. R. ten Wolde and D. Frenkel, Phys. Chem. Chem. Phys. 1, 2191 (1999). 10.1039/a809346f
11. I. Volkov, M. Cieplak, J. Koplik, and J. R. Banavar, Phys. Rev. E 66, 061401 (2002). 10.1103/PhysRevE.66.061401
12. V. L. Anderson and H. N. W. Lekkerkerker, Nature (London) 416, 811 (2002). 10.1038/416811a
13. J. A. van Meel, A. J. Page, R. P. Sear, and D. Frenkel, J. Chem. Phys. 129, 20450 (2008). 10.1063/1.3026364
14. W. Ostwald, Z. Phys. Chem. 22, 289 (1897).
15. S. Alexander and J. McTague, Phys. Rev. Lett. 41, 702 (1978). 10.1103/PhysRevLett.41.702
16. W. Klein, Phys. Rev. E 64, 056110 (2001). 10.1103/PhysRevE.64.056110
17. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 110, 1591 (1999). 10.1063/1.477799
18. P. R. ten Wolde and D. Frenkel, J. Chem. Phys. 109, 9901 (1998). 10.1063/1.477658
19. P. J. Flory and W. R. Krigbaum, J. Chem. Phys. 18, 1086 (1950). 10.1063/1.1747866
20. F. H. Stillinger, J. Chem. Phys. 65, 3968 (1976). 10.1063/1.432891
21. S. Prestipino, F. Saija, and P. V. Giaquinta, Phys. Rev. E 71, 050102(R) (2005). 10.1103/PhysRevE.71.050102
22. S. Prestipino, F. Saija, and P. V. Giaquinta, J. Chem. Phys. 123, 144110 (2005). 10.1063/1.2064639
23. P. Mausbach, A. Ahmed, and R. J. Sadus, J. Chem. Phys. 131, 184507 (2009). 10.1063/1.3256004
24. P. L. Steinhardt, D. R. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983). 10.1103/PhysRevB.28.784
25. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 104, 9932 (1996). 10.1063/1.471721
26. W. Lechner and C. Dellago, J. Chem. Phys. 129, 114707 (2008). 10.1063/1.2977970
27. D. Moroni, P. R. ten Wolde, and P. G. Bolhuis, Phys. Rev. Lett. 94, 235703 (2005). 10.1103/PhysRevLett.94.235703
28. J. Rogal, W. Lechner, J. Juraszek, B. Ensing, and P. G. Bolhuis, J. Chem. Phys. 133, 174109 (2010). 10.1063/1.3491817
29. T. S. van Erp, Phys. Rev. Lett. 98, 268301 (2007). 10.1103/PhysRevLett. 98.268301
30. P. G. Bolhuis, J. Chem. Phys. 129, 144108 (2008). 10.1063/1.2976011
31. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic, San Diego, 2002).
32. B. Peters and B. L. Trout, J. Chem. Phys. 125, 054108 (2006). 10.1063/1.2234477
33. B. Peters, G. T. Beckham, and B. L. Trout, J. Chem. Phys. 127, 034109 (2007). 10.1063/1.2748396
34. W. Lechner, J. Rogal, J. Juraszek, B. Ensing, and P. G. Bolhuis, J. Chem. Phys. 133, 174110 (2010). 10.1063/1.3491818
35. W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002).
36. L. Maragliano and E. Vanden-Eijnden, Chem. Phys. Lett. 44, 182 (2007). 10.1016/j.cplett.2007.08.017
37. L. Maragliano, A. Fischer, E. Vanden-Eijnden, and G. Ciccotti, J. Chem. Phys. 125, 024106 (2006). 10.1063/1.2212942
38. E. Vanden-Eijnden and M. Venturoli, J. Chem. Phys. 130, 194103 (2009). 10.1063/1.3130083
39. G. Schwartz, Ann. Stat. 6, 461 (1978). 10.1214/aos/1176344136
40. P. L. Geissler, C. Dellago, and D. Chandler, J. Phys. Chem. B 103, 3706 (1999). 10.1021/jp984837g
41. B. Peters, J. Chem. Phys. 125, 241101 (2006). 10.1063/1.2409924
42. R. Shetty, F. A. Escobedo, D. Choudhary, and P. Clancy, J. Chem. Phys. 117, 4000 (2002). 10.1063/1.1494986
43. P. G. Bolhuis and W. Lechner, On the relation between projections of the reweighted path ensemble., J. Stat. Phys. (in press). 10.1007/s10955-011-0324-6
44. J. Horiuti, Bull. Chem. Soc. Jpn. 13, 210 (1938). 10.1246/bcsj.13.210
45. T. Kawasaki and H. Tanaka, Proc. Natl. Acad. Sci. U.S.A. 107, 14036 (2010). 10.1073/pnas.1001040107
46. T. Schilling, H. J. Schpe, M. Oettel, G. Opletal, and I. Snook, Phys. Rev. Lett. 105, 025701 (2010). 10.1103/PhysRevLett.105.025701
47. G. T. Beckham and B. Peters, J. Phys. Chem. Lett. 2, 1133 (2011). 10.1021/jz2002887
48. K. N. Ngale, C. Desgranges, and J. Delhommelle, J. Chem. Phys. 131, 244515 (2009). 10.1063/1.3283901