--- trunk/nonperiodicVSS/nonperiodicVSS.tex	2014/01/08 22:24:46	3992
+++ trunk/nonperiodicVSS/nonperiodicVSS.tex	2014/01/14 19:47:08	3994
@@ -88,15 +88,15 @@ boundary between materials.
 is often unclear what shape of gradient should be imposed at the
 boundary between materials.
 
-% \begin{figure}
-% \includegraphics[width=\linewidth]{figures/VSS}
-% \caption{Schematics of periodic (left) and non-periodic (right)
-%   Velocity Shearing and Scaling RNEMD. A kinetic energy or momentum
-%   flux is applied from region B to region A. Thermal gradients are
-%   depicted by a color gradient. Linear or angular velocity gradients
-%   are shown as arrows.}
-% \label{fig:VSS}
-% \end{figure}
+\begin{figure}
+\includegraphics[width=\linewidth]{figures/npVSS}
+\caption{Schematics of periodic (left) and non-periodic (right)
+  Velocity Shearing and Scaling RNEMD. A kinetic energy or momentum
+  flux is applied from region B to region A. Thermal gradients are
+  depicted by a color gradient. Linear or angular velocity gradients
+  are shown as arrows.}
+\label{fig:VSS}
+\end{figure}
 
 Reverse Non-Equilibrium Molecular Dynamics (RNEMD) methods impose an
 unphysical {\it flux} between different regions or ``slabs'' of the
@@ -132,7 +132,7 @@ concentric spheres (as in figure \ref{fig:VSS}), or on
 We have extended the VSS method for use in {\it non-periodic}
 simulations, in which the ``slabs'' have been generalized to two
 separated regions of space.  These regions could be defined as
-concentric spheres (as in figure \ref{fig:VSS}), or one of the regions
+concentric spheres (as in figure \ref{fig:npVSS}), or one of the regions
 can be defined in terms of a dynamically changing ``hull'' comprising
 the surface atoms of the cluster.  This latter definition is identical
 to the hull used in the Langevin Hull algorithm.
@@ -426,9 +426,9 @@ Table \ref{table:couple} shows the calculated rotation
 Table \ref{table:couple} shows the calculated rotational friction coefficients $\Xi^{rr}$ for spherical gold nanoparticles and a prolate ellipsoidal gold nanorod in TraPPE-UA hexane. An angular momentum flux was applied between the A and B regions defined as the gold structure and hexane molecules beyond a certain radius, respectively. The resulting angular velocity gradient causes the gold structure to rotate about the prescribed axis.
 	
 \begin{longtable}{lcccc}
-\caption{Comparison of rotational friction coefficients under ideal ``stick'' conditions ($\Xi^{rr}_{stick}$) calculated via Stokes' and Perrin's laws and effective rotational friction coefficients ($\Xi^{rr}_{\mathit{eff}}$) of gold nanostructures solvated in TraPPE-UA hexane at 230 K. The ellipsoid is oriented with the long axis along the $z$ direction.}
+\caption{Comparison of rotational friction coefficients under ideal ``stick'' conditions ($\Xi^{rr}_{\mathit{stick}}$) calculated via Stokes' and Perrin's laws and effective rotational friction coefficients ($\Xi^{rr}_{\mathit{eff}}$) of gold nanostructures solvated in TraPPE-UA hexane at 230 K. The ellipsoid is oriented with the long axis along the $z$ direction.}
 \\ \hline \hline
-{Structure} & {Axis of Rotation} & {$\Xi^{rr}_{stick}$} & {$\Xi^{rr}_{\mathit{eff}}$} & {$\Xi^{rr}_{\mathit{eff}}$ / $\Xi^{rr}_{stick}$}\\ 
+{Structure} & {Axis of Rotation} & {$\Xi^{rr}_{\mathit{stick}}$} & {$\Xi^{rr}_{\mathit{eff}}$} & {$\Xi^{rr}_{\mathit{eff}}$ / $\Xi^{rr}_{\mathit{stick}}$}\\ 
 {} & {} & {\small(amu A$^2$ fs$^{-1}$)} & {\small(amu A$^2$ fs$^{-1}$)} & \\  \hline
 Sphere (r = 20 \AA) & {$x = y = z$} & {3314} & {2386} & {0.720}\\
 Sphere (r = 30 \AA) & {$x = y = z$} & {11749} & {8415} & {0.716}\\
@@ -439,6 +439,8 @@ Prolate Ellipsoid & {$z$} & {1993} & {1590} & {0.798}\
 \label{table:couple}
 \end{longtable}
 
+
+
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