Computational study through atomistic potentials of a partial bilayer liquid crystal: Structure and dynamics

Soft Matter

Volumn 5, Issue 18, 2009, Pages 3517-3526

  De Gaetani, Luca ^a   Prampolini, Giacomo ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMISTIC POTENTIAL; BILAYER LIQUIDS; COMPUTATIONAL STUDIES; CYANOBIPHENYLS; DIFFERENT SIZES; DIPOLAR INTERACTION; DOUBLE LAYERS; DYNAMIC PROPERTY; EXPERIMENTAL DATA; FORCE FIELDS; MESOPHASE STABILITY; MESOPHASES; MOLECULAR DYNAMICS SIMULATIONS; NEMATIC PHASIS; POINT CHARGE; SINGLE LAYER; SMECTIC LAYERS; SMECTIC PHASE; STRUCTURE AND DYNAMICS;

LIQUID CRYSTALS; MOLECULAR DYNAMICS;

CRYSTAL STRUCTURE;

EID: 70049101643     PISSN: 1744683X     EISSN: 17446848     Source Type: Journal    
DOI: 10.1039/b908413d     Document Type: Article

References (60)

1. W. deJeu Physical Properties of Liquid Crystalline Materials, Gordon and Breach Science Publishers, New York, 1980
2. Liquid Crystals. Applications and Uses, ed., B. Bahadur, Word Scientific, Toronto, Canada, 1990, vol. 1
3. F. Guittard E. T. deGivenchy S. Geribaldi A. Cambon J. Fluorine Chem. 1999 100 85
4. A. D. Alessandro R. Asquini Mol. Cryst. Liq. Cryst. 2003 398 207
5. P. Semenza Nat. Photonics 2007 1 267
6. H. Tu C. Cheng M. Chen J. Opt. A: Pure Appl. Opt. 2004 6 524
7. I. C. Khoo J. Ding A. Diaz Y. Zhang K. Chen Mol. Cryst. Liq. Cryst. 2002 375 33
8. R. D. Vita I. Stewart D. Leo PAMM 2007 7 4020023
9. P. G. deGennes, J. Prost The Physics of Liquid Crystals, Oxford University Press, Oxford, 2nd edn, 1993
10. O. Lavrentovich; P. Pasini; C. Zannoni; S. Zumer Defects in Liquid Crystals: Computer Simulations, Theory and Experiments Series, Kluwer, Dordrecht, 2001
11. The Molecular Dynamics of Liquid Crystals NATO ASI Seires, ed., G. R. Luckhurst, and, C. A. Veracini, Kluwer, Dordrecht, 1994
12. Advances in the Computer Simulations of Liquid Crystals NATO ASI series, ed., P. Pasini, and, C. Zannoni, Kluwer, Dordrecht, 2000
13. Computer Simulations of Liquid Crystals and Polymers NATO ASI Series, ed., P. Pasini, C. Zannoni, and, S. Zumer, Kluwer, Dordrecht, 2005
14. M. R. Wilson Int. Rev. Phys. Chem. 2005 24 421
15. C. M. Care D. J. Cleaver Rep. Prog. Phys. 2005 68 2665
16. R. Berardi L. Muccioli C. Zannoni ChemPhysChem 2004 5 104
17. I. Cacelli G. Prampolini A. Tani J. Phys. Chem. B 2005 109 3531
18. A. McDonald S. Hanna J. Chem. Phys. 2006 124 164906
19. M. Bockmann C. Peter L. Delle Site N. Doltsinis K. Kremer D. Marx J. Chem. Theory Comput. 2007 3 1789
20. I. Cacelli C. Lami G. Prampolini J. Comput. Chem. 2009 30 366
21. G. Tiberio L. Muccioli R. Berardi C. Zannoni ChemPhysChem 2009 10 125
22. Y. Lansac M. Glaser N. Clark Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2001 64 051703
23. I. Cacelli L. De Gaetani G. Prampolini A. Tani J. Phys. Chem. B 2007 111 2130
24. A. Béguin J. Billard F. Bonamy J. M. Buisine P. Cuivalier J. C. Dubois P. Le Barny Mol. Cryst. Liq. Cryst. 1984 115 119
25. A. Dunmur, A. Fukuda, G. L., ed. Physical Properties of Liquid Crystals, vol. 25 of EMIS Datareview Series, IEE, London, 2001
26. G. Gray J. Lydon Nature 1974 252 221
27. G. W. Gray, K. J. Herrison, J. Constant, D. S. Hulme, J. Kirton, E. P. Raynes, Liquid crystals and ordered fluids ed., J. F. Johnson, and, R. S. Porter, Plenum press, New York, 1974
28. R. Guégan D. Morineau A. Moréac W. Béziel M. Guendouz J. Zanotti B. Frick J. Chem. Phys. 2007 126 064902
29. D. Cleaver D. Tildesley Mol. Phys. 1994 81 781
30. D. Cleaver M. Callaway T. Forester W. Smith D. Tildesley Mol. Phys. 1995 86 613
31. M. Yoneya Y. Iwakabe Liq. Cryst. 1996 21 347
32. D. Binger S. Hanna Liq. Cryst. 1999 26 1205
33. N. Van der Vegt F. Müller-Plathe A. Geleßus D. Johannsmann J. Chem. Phys. 2001 115 9935
34. Y. Lansac M. A. Glaser N. A. Clark O. D. Lavrentovich Nature 1999 398 54
35. A. McDonald S. Hanna Mol. Cryst. Liq. Cryst. 2004 413 135
36. C. Amovilli I. Cacelli S. Campanile G. Prampolini J. Chem. Phys. 2002 117 3003
37. M. Bizzarri I. Cacelli G. Prampolini A. Tani J. Phys. Chem. A 2004 108 10336
38. I. Cacelli G. Prampolini J. Chem. Theory Comput. 2007 3 1803
39. I. Cacelli A. Cimoli L. De Gaetani G. Prampolini A. Tani J. Chem. Theory Comput. 2009 5 1865
40. M. Cifelli L. De Gaetani G. Prampolini A. Tani J. Phys. Chem. B 2008 112 9777
41. D. Paschen, A. Geiger MOSCITO 3.9, Department of Physical Chemistry: University of Dortmund, 2000
42. J. P. Ryckaert G. Ciccotti H. J. C. Berendsen J. Comput. Phys. 1977 55 3336
43. T. A. Darden D. York L. Pedersen J. Chem. Phys. 1993 98 10089
44. U. Essmann L. Perera M. L. Berkowitz A. Darden H. Lee L. Pedersen J. Chem. Phys. 1995 103 8577
45. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon, Oxford, 1987
46. H. J. C. Berendsen J. P. M. Postma W. F. van Gusteren A. Di Nola J. R. Haak J. Chem. Phys. 1984 81 3684
47. L. De Gaetani G. Prampolini A. Tani J. Chem. Phys. 2008 128 194501
48. M. Sandmann A. Wurflinger Z. Naturforsh 1998 53a 787
49. M. Constant D. Decoster J. Chem. Phys. 1982 76 1708
50. S. Kobinata T. Kobayashi H. Yoshida A. D. L. Chandani S. Maeda J. Mol. Struct. 1986 146 373
51. J. W. Emsley G. R. Luckhurst C. P. Stockley Mol. Phys. 1982 381 117
52. T. Krentsel O. Lavrentovich S. Kumar Mol. Cryst. Liq. Cryst. 1997 304 463
53. M. A. Bates G. R. Luckhurst J. Chem. Phys. 1999 110 7087
54. S. Picken W. De Jeu Liq. Cryst. 2006 33 1359
55. C. Peter L. Delle Site K. Kremer Soft Matter 2008 4 859
56. S. V. Dvinskikh I. Furò H. Zimmermann A. Maliniak Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2002 65 061701
57. M. Cifelli G. Cinacchi L. De Gaetani J. Chem. Phys. 2006 125 164912
58. M. P. Lettinga E. Grelet Phys. Rev. Lett. 2007 99 197802
59. G. Cinacchi L. De Gaetani Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2009 79 011706
60. G. Prampolini J. Chem. Theory Comput. 2006 2 556