Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
   
 
 
 
Previous Article
Ab initio structures and polarizabilities of sodium clusters
We present quantitative ab initio calculations for Na cluster structures and polarizabilities, for all cluster sizes up to 20 atoms. Our calculations are performed by combining an ab initio core-corre...
Next Article
Ultrafast dynamics of excitations in conjugated polymers: A spectroscopic study
We construct a microscopic model to describe the excited states of poly(2-methoxy, 5-(2-ethylhexoxy)-p-(phenylenevinylene) in thin film. Within this model, we deduce that in the high energy region, th...

Monte Carlo simulation of liquid-crystal alignment and chiral symmetry-breaking

J. Chem. Phys. 115, 4333 (2001); doi:10.1063/1.1389857

Issue Date: 1 September 2001

You are not logged in to this journal. Log in

Jianling Xu and Robin L. B. Selinger
Physics Department, Catholic University of America, Washington, D.C. 20064

Jonathan V. Selinger and R. Shashidhar
Center for Bio/Molecular Science and Engineering, Naval Research Laboratory, Code 6900, 4555 Overlook Avenue, SW, Washington, D.C. 20375
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be straight (to represent uniaxial molecules), Z-shaped (for biaxial molecules), or banana-shaped (for bent-core molecules). Using this approach, we investigate the alignment of the nematic phase by substrates decorated with parallel ridges. We compare results for wide and narrow ridge spacing and examine local order near the substrates, and show that our results are consistent with the predictions of Landau theory. We also investigate chiral symmetry-breaking in systems of bent-core molecules. We find a chiral crystalline phase as well as a nonchiral smectic-A phase, but not a chiral smectic-C phase. ©2001 American Institute of Physics.
History: Received 17 April 2001; accepted 14 June 2001
Permalink: http://link.aip.org/link/?JCPSA6/115/4333/1
BUY THIS ARTICLE   (US$28)
Download HTML Download Sectioned HTML Download PDF (609 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 61.30.-v
    Structure of solids and liquids; crystallography Liquid crystals
  • 61.20.Ja
    Structure of solids and liquids; crystallography Structure of liquids Computer simulation of liquid structure
  • YEAR: 2001

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (26)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. M. A. Glaser, R. Malzbender, N. A. Clark, and D. M. Walba, J. Phys.: Condens. Matter 6, A261 (1994);
  2. Mol. Simul. 14, 343 (1995).
  3. M. A. Glaser, in Advances in the Computer Simulations of Liquid Crystals, edited by C. Zannoni and P. Pasini (Kluwer, Dordrecht, 1999), p. 263.
  4. A. Galindo, G. Jackson, and D. J. Photinos, Chem. Phys. Lett. 325, 631 (2000).
  5. Z. Dogic, D. Frenkel, and S. Fraden, Phys. Rev. E 62, 3925 (2000).
  6. M. S. Al-Barwani and M. P. Allen, Phys. Rev. E 62, 6706 (2000).
  7. J. G. Gay and B. J. Berne, J. Chem. Phys. 74, 3316 (1981).
  8. M. A. Bates and G. R. Luckhurst, J. Chem. Phys. 110, 7087 (1999).
  9. R. Berardi and C. Zannoni, J. Chem. Phys. 113, 5971 (2000).
  10. H. Zewdie, J. Chem. Phys. 108, 2117 (1998).
  11. R. Memmer, H. G. Kuball, and A. Schönhofer, Liq. Cryst. 19, 749 (1995);
    12. Mol. Phys. 89, 1633 (1996).
  12. G. V. Paolini, G. Ciccotti, and M. Ferrario, Mol. Phys. 80, 297 (1993).
  13. F. Affouard, M. Kröger, and S. Hess, Phys. Rev. E 54, 5178 (1996).
  14. J. C. Lee, J. Chem. Phys. 113, 6943 (2000).
  15. J. Xu, R. L. B. Selinger, J. V. Selinger, B. R. Ratna, and R. Shashidhar, Phys. Rev. E 60, 5584 (1999).
  16. L. M. Blinov and V. G. Chigrinov, Electro-Optic Effects in Liquid Crystal Materials (Springer-Verlag, New York, 1994), Chap. 3.
  17. M. G. Tomilin, J. Opt. Technol. 64, 452 (1997).
  18. T. Niori, T. Sekine, J. Wanatabe, T. Furukawa, and H. Takezoe, J. Mater. Chem. 6, 1231 (1996).
  19. D. R. Link, G. Natale, R. Shao, J. E. Maclennan, N. A. Clark, E. Körblova, and D. M. Walba, Science 278, 1924 (1997).
  20. G. Heppke and D. Moro, Science 279, 1872 (1998).
  21. J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971);
    22. D. Chandler, J. D. Weeks, and H. C. Andersen, Science 220, 787 (1983).
  22. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987), Chap. 4, p. 132.
  23. P. M. Chaikin and T. C. Lubensky, Principles of Condensed Matter Physics (Cambridge University Press, Cambridge, 1995), p. 168.
  24. P. Sheng, Phys. Rev. A 26, 1610 (1982).
  25. A. Poniewierski and A. Samborski, Phys. Rev. E 51, 4574 (1995).
  26. D.-S. Seo, K. Muroi, T. Isogami, H. Matsuda, and S. Kobayashi, Jpn. J. Appl. Phys., Part 1 31, 2165 (1992).
  27. Y. Lansac, P. K. Maiti, M. A. Glaser, and N. A. Clark, Bull. Am. Phys. Soc. 46, 689 (2001).

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics