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Journal of Chemical Physics / Volume 124 / Issue 3 / ARTICLES / Surfaces, Interfaces, and Materials

J. Chem. Phys. 124, 034704 (2006); http://dx.doi.org/10.1063/1.2155529 (11 pages)

Surface anchoring of rodlike molecules on corrugated substrates

Kenji Kiyohara1, Kinji Asaka1, Hirosato Monobe2, Naohiro Terasawa2, and Yo Shimizu2

1Research Institute for Cell Engineering, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan
2Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan

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(Received 8 August 2005; accepted 22 November 2005; published online 17 January 2006)

We studied the mechanism of surface anchoring of rodlike molecules on substrates with the surfaces corrugated at molecular scale by molecular-dynamics simulation. We constructed a model for substrates that can have anisotoropic topographical patterns such as corrugation. The structural and thermodynamic properties of rodlike molecules on the corrugated surfaces, including the elastic and anchoring properties, were calculated and the influence of the surface structure on the anchoring was discussed. We found that the rodlike molecules are aligned along the grooves of the corrugated surfaces guided by the anisotropic molecular interaction between the molecules and the corrugated surface. The strength of anchoring was found to be increased when the period of corrugation is decreased at molecular level.

© 2006 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. POTENTIAL MODELS FOR ANISOTROPIC SURFACES AND RODLIKE MOLECULES
    1. Model for corrugated surfaces
    2. Model for rodlike molecules
  3. THEORETICAL BACKGROUND
    1. Order parameter
    2. Elastic and anchoring properties
    3. Pressure tensor and surface tension
  4. MOLECULAR-DYNAMICS SIMULATION
  5. RESULTS AND DISCUSSION
    1. Molecular structure
    2. Elastic and anchoring properties
    3. Pressure tensor and surface tension
  6. SUMMARY

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KEYWORDS and PACS

Keywords

molecular dynamics method, liquid crystals, thermodynamic properties, surface structure

PACS

  • 61.30.Hn

    Surface phenomena: alignment, anchoring, anchoring transitions, surface-induced layering, surface-induced ordering, wetting, prewetting transitions, and wetting transitions

  • 61.20.Ja

    Computer simulation of liquid structure

  • 65.20.-w

    Thermal properties of liquids

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2155529

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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