--- trunk/tengDissertation/LiquidCrystal.tex 2006/06/29 23:00:35 2909 +++ trunk/tengDissertation/LiquidCrystal.tex 2006/07/17 15:28:44 2938 @@ -200,7 +200,7 @@ A series of molecular dynamics simulations were perfor \section{Results and Discussion} -A series of molecular dynamics simulations were perform to study the +A series of molecular dynamics simulations were performed to study the phase behavior of banana shaped liquid crystals. In each simulation, every banana shaped molecule has been represented by three GB particles which is characterized by $\mu = 1,~ \nu = 2, @@ -248,7 +248,7 @@ for the bent-core liquid crystal at different temperat %where $X$, $Y$ and $Z$ are axis of the director frame. The unit vector for the banana shaped molecule was defined by the principle aixs of its middle GB particle. The $P_2$ order parameters -for the bent-core liquid crystal at different temperature is +for the bent-core liquid crystal at different temperature are summarized in Table~\ref{liquidCrystal:p2} which identifies a phase transition temperature range. @@ -271,7 +271,7 @@ stacking of the banana shaped molecules while the side The molecular organization obtained at temperature $T = 460K$ (below transition temperature) is shown in Figure~\ref{LCFigure:snapshot}. The diagonal view in Fig~\ref{LCFigure:snapshot}(a) shows the -stacking of the banana shaped molecules while the side view in n +stacking of the banana shaped molecules while the side view in Figure~\ref{LCFigure:snapshot}(b) demonstrates formation of a chevron structure. The first peak of the radial distribution function $g(r)$ in Fig.~\ref{LCFigure:gofrz}(a) shows that the @@ -280,13 +280,13 @@ g(z) =\frac{1}{\pi R^{2} \rho}< \delta (z-z_{ij})>_{ij also important to show the density correlation along the director which is given by : \begin{equation} -g(z) =\frac{1}{\pi R^{2} \rho}< \delta (z-z_{ij})>_{ij} -\end{equation}, +g(z) =\frac{1}{\pi R^{2} \rho}< \delta (z-z_{ij})>_{ij}, +\end{equation} where $ z_{ij} = r_{ij} \cdot \hat Z $ was measured in the director frame and $R$ is the radius of the cylindrical sampling region. The oscillation in density plot along the director in Fig.~\ref{LCFigure:gofrz}(b) implies the existence of the layered -structure, and the peak at 27 \AA is attributed to a defect in the +structure, and the peak at 27 $\rm{\AA}$ is attributed to a defect in the system. \subsection{Rotational Invariants}