Phase diagram of the uniaxial and biaxial soft-core Gay-Berne model

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  Berardi, Roberto ^a   Lintuvuori, Juho S ^b,c   Wilson, Mark R ^b   Zannoni, Claudio ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b DURHAM UNIVERSITY   (United Kingdom)

^c UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIAXIAL NEMATICS; BIAXIAL PHASIS; CHEMICAL SYNTHESIS; CLASSICAL MOLECULAR DYNAMICS; COLLOIDAL PARTICLE; CONFORMATIONAL FLEXIBILITY; CRYSTAL BEHAVIOUR; ELLIPSOIDAL PARTICLES; GAY-BERNE MODELS; MESOGENICS; MESOGENS; MODEL SYSTEM; NEMATIC PHASIS; ORDER PARAMETER; PARTICLE SOFTNESS; PHASE BIAXIALITY; POLYMER CHAINS; REPULSIVE INTERACTIONS; ROOM TEMPERATURE; SECOND VIRIAL COEFFICIENTS; SHORT RANGE INTERACTIONS; SMECTIC PHASIS; SOLVENT QUALITY; SURFACE FUNCTIONALISATION;

COMPUTER SIMULATION; FUNCTIONAL POLYMERS; MOLECULAR DYNAMICS; PHASE DIAGRAMS; SYNTHESIS (CHEMICAL); THERMOTROPIC LIQUID CRYSTALS;

MATHEMATICAL MODELS;

POLYMER;

ARTICLE; CHEMISTRY; COLLOID; LIQUID CRYSTAL; MOLECULAR DYNAMICS; PHASE TRANSITION; THERMODYNAMICS;

COLLOIDS; LIQUID CRYSTALS; MOLECULAR DYNAMICS SIMULATION; PHASE TRANSITION; POLYMERS; THERMODYNAMICS;

EID: 80054698647     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3646310     Document Type: Article

References (50)

1. K. Merkel, A. Kocot, J. K. Vij, R. Korlacki, G. H. Mehl, and T. Meyer, Phys. Rev. Lett. 93, 237801 (2004). 10.1103/PhysRevLett.93.237801 (Pubitemid 40079073)
2. J. L. Figueirinhas, C. Cruz, D. Filip, G. Feio, A. C. Ribeiro, Y. Frre, T. Meyer, and G. H. Mehl, Phys. Rev. Lett. 94, 107802 (2005). 10.1103/PhysRevLett.94.107802 (Pubitemid 40607192)
3. C. N. Likos, H. Löwen, M. Watzlawek, B. Abbas, O. Jucknischke, J. Allgaier, and D. Richter, Phys. Rev. Lett. 80, 4450 (1998). 10.1103/PhysRevLett. 80.4450
4. S. Nayak and L. A. Lyon, Angew. Chem., Int. Ed. 44, 7686 (2005). 10.1002/anie.200501321 (Pubitemid 41759533)
5. A. S. J. Iyer and L. A. Lyon, Angew. Chem., Int. Ed. 48, 4562 (2009). 10.1002/anie.200901670
6. J. Mattsson, H. M. Wyss, A. Fernandez-Nieves, K. Miyazaki, Z. Hu, D. R. Reichman, and D. A. Weitz, Nature (London) 462, 83 (2009). 10.1038/nature08457
7. M. Ballauff and C. N. Likos, Angew. Chem., Int. Ed. 43, 2998 (2004). 10.1002/anie.200300602 (Pubitemid 39268861)
8. A. Stradner, H. Sedgwick, F. Cardinaux, W. C. K. Poon, S. U. Egelhaaf, and P. Schurtenberger, Nature (London) 432, 492 (2004). 10.1038/nature03109 (Pubitemid 39576527)
9. Z. Yang, W. T. S. Huck, S. M. Clarke, A. R. Tajbakhsh, and E. M. Terentjev, Nature Mater. 4, 486 (2005). 10.1038/nmat1389 (Pubitemid 40774054)
10. K. R. Purdy, S. Varga, A. Galindo, G. Jackson, and S. Fraden, Phys. Rev. Lett. 94, 057801 (2005). 10.1103/PhysRevLett.94.057801 (Pubitemid 40620893)
11. C. M. Care and D. J. Cleaver, Rep. Prog. Phys. 68, 2665 (2005). 10.1088/0034-4885/68/11/R04 (Pubitemid 41454535)
12. D. J. Earl, J. Ilnytskyi, and M. R. Wilson, Mol. Phys. 99, 1719 (2001). 10.1080/00268970110069551 (Pubitemid 35227777)
13. J. S. Lintuvuori and M. R. Wilson, J. Chem. Phys. 128, 044906 (2008). 10.1063/1.2825292 (Pubitemid 351191652)
14. Z. E. Hughes, L. M. Stimson, H. Slim, J. S. Lintuvuori, J. M. Ilnytskyi, and M. R. Wilson, Comput. Phys. Commun. 178, 724 (2008). 10.1016/j.cpc.2008.01. 047
15. J. M. Ilnytskyi, J. S. Lintuvuori, and M. R. Wilson, Condens. Matter Phys. 13, 33001 (2010). 10.5488/CMP.13.33001
16. S. Sarman, J. Chem. Phys. 107, 3144 (1997). 10.1063/1.474666
17. S. Sarman and A. Laaksonen, Phys. Chem. Chem. Phys. 13, 5915 (2011). 10.1039/c0cp02617d
18. D. Andrienko, G. Germano, and M. P. Allen, Phys. Rev. E 63, 041701 (2001). 10.1103/PhysRevE.63.041701
19. N. Akino, F. Schmid, and M. P. Allen, Phys. Rev. E 63, 041706 (2001). 10.1103/PhysRevE.63.041706
20. S. Prestipino, F. Saija, and P. V. Giaquinta, Phys. Rev. E 71, 050102 (2005). 10.1103/PhysRevE.71.050102 (Pubitemid 41480912)
21. S. Prestipino and F. Saija, J. Chem. Phys. 126, 194902 (2007). 10.1063/1.2737041 (Pubitemid 46794150)
22. A. Nikoubashman and C. N. Likos, J. Phys. Condens. Matter 22, 104107 (2010). 10.1088/0953-8984/22/10/104107
23. J. G. Gay and B. J. Berne, J. Chem. Phys. 74, 3316 (1981). 10.1063/1.441483
24. R. Berardi, C. Fava, and C. Zannoni, Chem. Phys. Lett. 236, 462 (1995). 10.1016/0009-2614(95)00212-M
25. R. Berardi, C. Fava, and C. Zannoni, Chem. Phys. Lett. 297, 8 (1998). 10.1016/S0009-2614(98)01090-2
26. M. R. Wilson, Int. Rev. Phys. Chem. 24, 421 (2005). 10.1080/ 01442350500361244
27. M. R. Wilson, Chem. Soc. Rev. 36, 1881 (2007). 10.1039/b612799c
28. R. Berardi, L. Muccioli, S. Orlandi, M. Ricci, and C. Zannoni, J. Phys.: Condens. Matter 20, 463101 (2008). 10.1088/0953-8984/20/46/463101
29. R. Berardi, C. Zannoni, J. S. Lintuvuori, and M. R. Wilson, J. Chem. Phys. 131, 174107 (2009). 10.1063/1.3254019
30. G. Skaej and C. Zannoni, Main-chain swollen liquid crystal elastomers: a molecular simulation study., Soft Matter (in press). 10.1039/C1SM05709J
31. A. George and W. W. Wilson, Acta Crystallogr., Sect. D: Biol. Crystallogr. 50, 361 (1994). 10.1107/S0907444994001216
32. G. A. Vliegenthart and H. N. W. Lekkerkerker, J. Chem. Phys. 112, 5364 (2000). 10.1063/1.481106
33. N. M. Dixit and C. F. Zukoski, J. Colloid Interface Sci. 228, 359 (2000). 10.1006/jcis.2000.6944 (Pubitemid 30636977)
34. R. Berardi, A. P. J. Emerson, and C. Zannoni, J. Chem. Soc., Faraday Trans. 89, 4069 (1993). 10.1039/ft9938904069
35. R. Berardi and C. Zannoni, J. Chem. Phys. 113, 5971 (2000). 10.1063/1.1290474
36. M. P. Allen and G. Germano, Mol. Phys. 104, 3225 (2006). 10.1080/00268970601075238 (Pubitemid 47226461)
37. R. Berardi, L. Muccioli, and C. Zannoni, J. Chem. Phys. 128, 024905 (2008). 10.1063/1.2815804
38. P. D. Duncan, A. J. Masters, and M. R. Wilson, Phys. Rev. E 84, 011702 (2011). 10.1103/PhysRevE.84.011702
39. F. J. Martnez-Veracoechea and F. A. Escobedo, J. Chem. Phys. 125, 104907 (2006). 10.1063/1.2345652 (Pubitemid 44396520)
40. M. Marechal, A. Cuetos, B. Martnez-Haya, and M. Dijkstra, J. Chem. Phys. 134, 094501 (2011). 10.1063/1.3552951
41. D. Frenkel and B. Smit, Understanding Molecular Simulations: From Algorithms to Applications, 2nd ed. (Academic, San Diego, 2001).
42. N. Matubayasi and M. Nakahara, J. Chem. Phys. 110, 3291 (1999). 10.1063/1.478194
43. H. Kamberaj, R. J. Low, and M. P. Neal, J. Chem. Phys. 122, 224114 (2005). 10.1063/1.1906216 (Pubitemid 40844865)
44. H. J. C. Berendsen, J. P.M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984). 10.1063/1.448118
45. E. Paci and M. Marchi, J. Phys. Chem. 100, 4314 (1996). 10.1021/jp9529679
46. 0) for the various GBSC model potentials.
47. S. Yadav, T. M. Scherer, S. J. Shire, and D. S. Kalonia, Anal. Biochem. 411, 292 (2011). 10.1016/j.ab.2010.12.014
48. J. M. Mollerup and M. P. Breil, Fluid Phase Equilib. 286, 88 (2009). 10.1016/j.fluid.2009.08.004
49. C. Tschierske and D. J. Photinos, J. Mater. Chem. 20, 4263 (2010). 10.1039/b924810b
50. L. J. Yu and A. Saupe, Phys. Rev. Lett. 45, 1000 (1980). 10.1103/PhysRevLett.45.1000