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banana.html
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<!doctype html public "-//w3c//dtd html 4.0 transitional//en">
<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<meta name="GENERATOR" content="Mozilla/4.7C-SGI [en] (X11; I; IRIX 6.5 IP22) [Netscape]">
</head>
<body>
<center><b><font color="#000099">Atomistic Simulation of Bent-Core Smectic
Liquid Crystals</font></b>
<br>Prabal. K. Maiti, Y. Lansac, M. A. Glaser and N. A. Clark</center>
<p>Recently a new class of liquid crystal smectic phases characterized
by the spontaneous formation of macroscopic chiral domains from achiral
molecules has been discovered$^1$. The molecules forming this phase are
"bow" or "banana" shaped as a result of their bent core (fig. 1a). We have
carried out both atomistic and idealized model simulation to investigate
the properties of this new class of LC materials. Atomistic simulation
allows us to probe the spontaneous polar ordering within the layer and
the out-of-plane molecualr tilt leading to the formation of chiral phase.
A variety of thermodynamical and structural quantities have been calculated
and compared to the available experimental data. Special emphasis is given
to study the effect of molecular structure of these bow shap ed molecules
(e.g. flexibility) and the electrostatic interaction on the resulting bulk
behaviour. To understand the mechanism which favours synclinic ordering
over anticlinic ordering at a quantitative level, we have also carried
out simulation of a system of hard bent core spherocylinders (fig. 1b).
<p><img SRC="NOBOW_noback.gif" ALT="fig 1(a)" HSPACE=50 height=570 width=216 align=LEFT> <img SRC="banana_noback.gif" HSPACE=50 height=570 width=216>
<br>
Figure 1(a)
Figure 1(b)
<p>(Poster presenetd at the ILCC)
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/motivation.ps">page
1</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/atom_1.ps">page
2</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/atom_2.ps">page
3</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/atom_3-4.ps">page
4-5</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/atom_resul.ps">page
6</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/atom_conclude.ps">page
7</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/bananas_p_1_5.ps">page
8-12</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/bananas_p_6_9.ps">page
13-16</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/bananas_p_10.ps">page
17</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/bananas_p_11.ps">page
18</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/bananas_p_12.ps">page
19</a>
<br><a href="http://bly.colorado.edu/~maiti/poster/banana/bananas_p_13_14.ps">page
20-21</a>
</body>
</html>