The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry

Journal of Chemical Physics

Volumn 132, Issue 23, 2010, Pages

  Noya, Eva G ^a   Vega, Carlos ^b   Doye, Jonathan P K ^c   Louis, Ard A ^c  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC PARTICLES; BODY-CENTERED CUBIC; BODY-CENTERED-CUBIC PHASE; CRYSTAL SEEDS; DIAMOND CRYSTALS; DIAMOND LATTICES; DIAMOND STRUCTURES; FACE CENTERED CUBIC CRYSTALS; FACE CENTERED CUBIC PHASE; HIGHER TEMPERATURES; KINETIC EFFECT; LOW PRESSURES; LOW TEMPERATURES; ORIENTATIONAL DISORDER; SUB-LATTICES; TETRAHEDRAL ARRANGEMENT; TETRAHEDRAL SYMMETRY; THERMODYNAMICALLY STABLE; VIBRATIONAL ENTROPY; WEAK INTERACTIONS;

COMPUTER CRIME; COMPUTER SIMULATION; DIAMONDS; FLUIDS; LEAKAGE (FLUID); PHASE DIAGRAMS; PHASE INTERFACES;

CRYSTAL SYMMETRY;

ANISOTROPY; ARTICLE; CHEMICAL STRUCTURE; COMPUTER SIMULATION; CONFORMATION; MONTE CARLO METHOD; PRESSURE; TEMPERATURE; THERMODYNAMICS;

ANISOTROPY; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONTE CARLO METHOD; PRESSURE; TEMPERATURE; THERMODYNAMICS;

EID: 77953814968     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3454907     Document Type: Article

References (71)

1. R. P. Sear, J. Chem. Phys. JCPSA6 0021-9606 111, 4800 (1999). 10.1063/1.479243
2. X. Song, Phys. Rev. E PLEEE8 1063-651X 66, 011909 (2002). 10.1103/PhysRevE.66.011909 (Pubitemid 40599002)
3. N. M. Dixit and C. F. Zukoski, J. Chem. Phys. JCPSA6 0021-9606 117, 8540 (2002). 10.1063/1.1514221 (Pubitemid 35359171)
4. N. Kern and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 118, 9882 (2003). 10.1063/1.1569473
5. J. Chang, A. M. Lenhoff, and S. I. Sandler, J. Chem. Phys. JCPSA6 0021-9606 120, 3003 (2004). 10.1063/1.1638377
6. V. Talanquer, J. Chem. Phys. JCPSA6 0021-9606 120, 084704 (2004).
7. D. Rosenbaum, P. C. Zamora, and C. F. Zukoski, Phys. Rev. Lett. PRLTAO 0031-9007 21, 1407 (1996).
8. P. R. ten Wolde and D. Frenkel, Science SCIEAS 0036-8075 277, 1975 (1997). 10.1126/science.277.5334.1975 (Pubitemid 27449135)
9. B. W. Matthews, J. Mol. Biol. JMOBAK 0022-2836 33, 491 (1968). 10.1016/0022-2836(68)90205-2
10. J. P. K. Doye, A. A. Louis, I. -C. Lin, L. R. Allen, E. G. Noya, A. W. Wilber, H. C. Kok, and R. Lyus, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 9, 2197 (2007). 10.1039/b614955c
11. H. Liu, S. K. Kumar, and F. Sciortino, J. Chem. Phys. JCPSA6 0021-9606 127, 084902 (2007). 10.1063/1.2768056 (Pubitemid 47352556)
12. H. Liu, S. K. Kumar, F. Sciortino, and G. T. Evans, J. Chem. Phys. JCPSA6 0021-9606 130, 044902 (2009). 10.1063/1.3063096
13. J. J. McManus, A. Lomakin, O. Ogun, A. Pande, M. Basan, J. Pande, and G. B. Benedek, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 104, 16856 (2007). 10.1073/pnas.0707412104 (Pubitemid 350210955)
14. C. Gögelein, G. Nägele, R. Tuinier, T. Gibaud, A. Stradner, and P. Schurtenberger, J. Chem. Phys. JCPSA6 0021-9606 129, 085102 (2008). 10.1063/1.2951987
15. X. Li, J. D. Gunton, and A. Chakrabarti, J. Chem. Phys. JCPSA6 0021-9606 131, 115101 (2009). 10.1063/1.3227041
16. O. Galkin and P. G. Vekilov, J. Am. Chem. Soc. JACSAT 0002-7863 122, 156 (2000). 10.1021/ja9930869 (Pubitemid 30054100)
17. H. R. Sheu, M. S. El-Aasser, and J. W. Vanderhoff, J. Polym. Sci. A ZZZZZZ 0449-2951 28, 629 (1990). 10.1002/pola.1990.080280314 (Pubitemid 20638232)
18. V. N. Manoharan, M. T. Elsesser, and D. J. Pine, Science SCIEAS 0036-8075 301, 483 (2003). 10.1126/science.1086189 (Pubitemid 36900299)
19. A. M. Jackson, J. W. Myerson, and F. Stellacci, Nature Mater. NMAACR 1476-1122 3, 330 (2004). 10.1038/nmat1116
20. Y. -S. Cho, G. -R. Yi, J. -M. Li, S. -H. Kim, V. M. Manoharan, D. J. Pine, and S. M. Yang, J. Am. Chem. Soc. JACSAT 0002-7863 127, 15968 (2005). 10.1021/ja0550632 (Pubitemid 41643307)
21. Y. -S. Cho, G. -R. Yi, S. -H. Kim, D. J. Pine, and S. M. Yang, Chem. Mater. CMATEX 0897-4756 17, 5006 (2005). 10.1021/cm051123r (Pubitemid 41476045)
22. K. -H. Roh, D. C. Martin, and J. Lahann, Nature Mater. NMAACR 1476-1122 4, 759 (2005). 10.1038/nmat1486 (Pubitemid 41397023)
23. C. E. Snyder, A. M. Yake, J. D. Feick, and D. Velegol, Langmuir LANGD5 0743-7463 21, 4813 (2005). 10.1021/la050715l (Pubitemid 40795300)
24. Z. F. Li, D. Y. Lee, M. F. Rubner, and R. E. Cohen, Macromolecules MAMOBX 0024-9297 38, 7876 (2005). 10.1021/ma0513012 (Pubitemid 41396665)
25. A. van Blaaderen, Science SCIEAS 0036-8075 439, 545 (2006).
26. K. -H. Roh, D. C. Martin, and J. Lahann, J. Am. Chem. Soc. JACSAT 0002-7863 128, 6796 (2006). 10.1021/ja060836n (Pubitemid 43830561)
27. G. A. DeVries, M. Brunnbauer, Y. Hu, A. M. Jackson, B. Long, B. T. Neltner, O. Uzun, B. H. Wunsch, and F. Stellacci, Science SCIEAS 0036-8075 315, 358 (2007). 10.1126/science.1133162 (Pubitemid 46175512)
28. Y. -S. Cho, G. -R. Yi, S. -H. Kim, S. -J. Jeon, M. T. Elsesser, H. K. Yu, S. -M. Yang, and D. J. Pine, Chem. Mater. CMATEX 0897-4756 19, 3183 (2007). 10.1021/cm070051w (Pubitemid 47150361)
29. L. Hong, A. Cacciuto, E. Luijten, and S. Granick, Langmuir LANGD5 0743-7463 24, 621 (2008). 10.1021/la7030818 (Pubitemid 351270919)
30. A. Perro, E. Duguet, O. Lambert, J. -C. Taveau, E. Bourgeat-Lami, and S. Ravaine, Angew. Chem., Int. Ed. ACIEF5 1433-7851 121, 367 (2009). 10.1002/ange.200802562
31. D. J. Kraft, J. Groenewold, and W. K. Kegel, Soft Matter SMOABF 1744-683X 5, 3823 (2009). 10.1039/b910593j
32. S. C. Glotzer and M. J. Solomon, Nature Mater. NMAACR 1476-1122 6, 557 (2007). 10.1038/nmat1949
33. S. Yang, S. -H. Kim, J. -M. Lim, and G. -R. Yi, J. Mater. Chem. JMACEP 0959-9428 18, 2177 (2008). 10.1039/b716393b (Pubitemid 351695407)
34. A. B. Pawar and I. Kretzschmar, Macromol. Rapid Commun. MRCOE3 1022-1336 31, 150 (2010). 10.1002/marc.201090000
35. E. G. Noya, C. Vega, J. P. K. Doye, and A. A. Louis, J. Chem. Phys. JCPSA6 0021-9606 127, 054501 (2007). 10.1063/1.2752155 (Pubitemid 47224895)
36. F. Romano, E. Sanz, and F. Sciortino, J. Phys. Chem. B JPCBFK 1089-5647 113, 15133 (2009). 10.1021/jp9081905
37. Z. Zhang, A. S. Keys, T. Chen, and S. C. Glotzer, Langmuir LANGD5 0743-7463 21, 11547 (2005). 10.1021/la0513611 (Pubitemid 43011484)
38. G. Doppelbauer, E. Bianchi, and G. Kahl, J. Phys.: Condens. Matter JCOMEL 0953-8984 22, 104105 (2010). 10.1088/0953-8984/22/10/104105
39. M. F. Hagan and D. Chandler, Biophys. J. BIOJAU 0006-3495 91, 42 (2006). 10.1529/biophysj.105.076851 (Pubitemid 44018054)
40. A. W. Wilber, J. P. K. Doye, A. A. Louis, E. G. Noya, M. A. Miller, and P. Wong, J. Chem. Phys. JCPSA6 0021-9606 127, 085106 (2007). 10.1063/1.2759922 (Pubitemid 47354016)
41. A. W. Wilber, J. P. K. Doye, and A. A. Louis, J. Chem. Phys. JCPSA6 0021-9606 131, 175101 (2009). 10.1063/1.3243580
42. A. W. Wilber, J. P. K. Doye, A. A. Louis, and A. C. F. Lewis, J. Chem. Phys. JCPSA6 0021-9606 131, 175102 (2009). 10.1063/1.3243581
43. A. Giacometti, F. Lado, J. Largo, G. Pastore, and F. Sciortino, J. Chem. Phys. JCPSA6 0021-9606 131, 174114 (2009). 10.1063/1.3256002
44. F. Sciortino, A. Giacometti, and G. Pastore, Phys. Rev. Lett. PRLTAO 0031-9007 103, 237801 (2009). 10.1103/PhysRevLett.103.237801
45. M. Maldovan, C. K. Ullal, W. C. Carter, and E. L. Thomas, Nature Mater. NMAACR 1476-1122 2, 664 (2003). 10.1038/nmat979
46. M. Maldovan and E. L. Thomas, Nature Mater. NMAACR 1476-1122 3, 593 (2004). 10.1038/nmat1201
47. A. -P. Hynninen, J. H. J. Thijssen, E. C. M. Vermolen, M. Dijkstra, and A. van Blaaderen, Nature Mater. NMAACR 1476-1122 6, 202 (2007). 10.1038/nmat1841 (Pubitemid 46353767)
48. C. Vega, E. Sanz, J. L. F. Abascal, and E. G. Noya, J. Phys.: Condens. Matter JCOMEL 0953-8984 20, 153101 (2008). 10.1088/0953-8984/20/15/153101 (Pubitemid 351592343)
49. C. Vega and E. G. Noya, J. Chem. Phys. JCPSA6 0021-9606 127, 154113 (2007). 10.1063/1.2790426 (Pubitemid 351260748)
50. E. G. Noya, M. M. Conde, and C. Vega, J. Chem. Phys. JCPSA6 0021-9606 129, 104704 (2008). 10.1063/1.2901172 (Pubitemid 351574653)
51. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic, Boston, 1996).
52. D. Frenkel and A. J. C. Ladd, J. Chem. Phys. JCPSA6 0021-9606 81, 3188 (1984). 10.1063/1.448024
53. J. M. Polson, E. Trizac, S. Pronk, and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 112, 5339 (2000). 10.1063/1.481102
54. J. W. Schroer and P. A. Monson, J. Chem. Phys. JCPSA6 0021-9606 112, 8950 (2000). 10.1063/1.481508
55. D. A. Kofke, J. Chem. Phys. JCPSA6 0021-9606 98, 4149 (1993). 10.1063/1.465023
56. D. A. Kofke, Mol. Phys. MOPHAM 0026-8976 78, 1331 (1993). 10.1080/00268979300100881
57. W. Vetterling, S. Teukolsky, W. Press, and B. Flannery, Numerical Recipes. Example Book (Fortran) (Cambridge University Press, Cambridge, 1985).
58. A. J. C. Ladd and L. V. Woodcock, Chem. Phys. Lett. CHPLBC 0009-2614 51, 155 (1977). 10.1016/0009-2614(77)85375-X
59. A. J. C. Ladd and L. V. Woodcock, Mol. Phys. MOPHAM 0026-8976 36, 611 (1978). 10.1080/00268977800101791
60. See supplementary material at http://dx.doi.org/10.1063/1.3454907 E-JCPSA6-132-013024 for tables of free energies and coexistence points and for snapshots of the final configurations of direct coexistence simulations.
61. J. Kolafa and I. Nezbeda, Mol. Phys. MOPHAM 0026-8976 61, 161 (1987). 10.1080/00268978700101051
62. C. Vega and P. A. Monson, J. Chem. Phys. JCPSA6 0021-9606 109, 9938 (1998). 10.1063/1.477660 (Pubitemid 128678423)
63. F. Romano, P. Tartaglia, and F. Sciortino, J. Phys.: Condens. Matter JCOMEL 0953-8984 19, 322101 (2007). 10.1088/0953-8984/19/32/322101 (Pubitemid 47154883)
64. J. L. Aragones, E. G. Noya, J. L. F. Abascal, and C. Vega, J. Chem. Phys. JCPSA6 0021-9606 127, 154518 (2007). 10.1063/1.2774986 (Pubitemid 351260790)
65. E. Whalley, J. Chem. Phys. JCPSA6 0021-9606 81, 4087 (1984). 10.1063/1.448153
66. W. Ostwald, Z. Phys. Chem. ZPCFAX 0942-9352 22, 289 (1897).
67. I. Stranski and D. Totomanow, Z. Phys. Chem. ZPCFAX 0942-9352 163, 399 (1933).
68. P. R. ten Wolde and D. Frenkel, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 1, 2191 (1999). 10.1039/a809346f
69. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, Phys. Rev. Lett. PRLTAO 0031-9007 92, 255701 (2004). 10.1103/PhysRevLett.92.255701
70. C. Vega, J. L. F. Abascal, E. Sanz, L. G. MacDowell, and C. McBride, J. Phys.: Condens. Matter JCOMEL 0953-8984 17, S3283 (2005). 10.1088/0953-8984/17/ 45/013 (Pubitemid 41605900)
71. F. Romano, E. Sanz, and F. Sciortino, J. Chem. Phys. JCPSA6 0021-9606 132, 184501 (2010). 10.1063/1.3393777