| 285 |
|
\\ \hline \hline |
| 286 |
|
{$J_r$} & {$\langle dT / dr \rangle$} & {$\boldsymbol \lambda$}\\ |
| 287 |
|
{\small(kcal fs$^{-1}$ \AA$^{-2}$)} & {\small(K \AA$^{-1}$)} & {\small(W m$^{-1}$ K$^{-1}$)}\\ \hline |
| 288 |
< |
\\ \hline \hline |
| 288 |
> |
1.00$\times 10^{-5}$ & 0.38683 & 1.79665486\\ |
| 289 |
> |
3.00$\times 10^{-5}$ & 1.1643 & 1.79077557\\ |
| 290 |
> |
6.00$\times 10^{-5}$ & 2.2262 & 1.87314707\\ |
| 291 |
> |
\hline \hline |
| 292 |
|
\label{table:waterconductivity} |
| 293 |
|
\end{longtable} |
| 294 |
|
|
| 296 |
|
% INTERFACIAL THERMAL CONDUCTANCE |
| 297 |
|
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |
| 298 |
|
\subsection{Interfacial thermal conductance} |
| 299 |
+ |
|
| 300 |
+ |
\begin{longtable}{ccc} |
| 301 |
+ |
\caption{Caption.} |
| 302 |
+ |
\\ \hline \hline |
| 303 |
+ |
{Nanoparticle Radius} & {$\boldsymbol \lambda$}\\ |
| 304 |
+ |
{\small(\AA)} & {\small(W m$^{-1}$ K$^{-1}$)}\\ \hline |
| 305 |
+ |
20 & 59.66\\ |
| 306 |
+ |
30 & 57.88\\ |
| 307 |
+ |
40 & \\ |
| 308 |
+ |
$\infty$ & \\ |
| 309 |
+ |
\hline \hline |
| 310 |
+ |
\label{table:waterconductivity} |
| 311 |
+ |
\end{longtable} |
| 312 |
|
|
| 313 |
|
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |
| 314 |
|
% INTERFACIAL FRICTION |
| 315 |
|
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |
| 316 |
|
\subsection{Interfacial friction} |
| 317 |
|
|
| 318 |
< |
Table \ref{table:interfacialfrictionstick} shows the calculated interfacial friction coefficients $\kappa$ for a spherical gold nanoparticle and 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 resulted in the gold structure rotating about the prescribed axis within the solvent. |
| 318 |
> |
Table \ref{table:interfacialfrictionstick} shows the calculated interfacial friction coefficients $\kappa$ 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 resulted in the gold structure rotating about the prescribed axis within the solvent. |
| 319 |
|
|
| 320 |
|
\begin{longtable}{lccccc} |
| 321 |
< |
\caption{Calculated ``stick'' interfacial friction coefficients ($\kappa$) and friction factors ($f$) of gold nanostructures solvated in TraPPE-UA hexane. The ellipsoid is oriented with the long axis along the $z$ direction.} |
| 321 |
> |
\caption{Calculated ``stick'' interfacial friction coefficients ($\kappa$) and friction factors ($f$) of gold nanostructures solvated in TraPPE-UA hexane at 230 K. The ellipsoid is oriented with the long axis along the $z$ direction.} |
| 322 |
|
\\ \hline \hline |
| 323 |
< |
{Structure} & {Axis of rotation} & {$\kappa_{VSS}$} & {$\kappa_{calc}$} & {$f_{VSS}$} & {$f_{calc}$}\\ |
| 323 |
> |
{Structure} & {Axis of Rotation} & {$\kappa_{VSS}$} & {$\kappa_{calc}$} & {$f_{VSS}$} & {$f_{calc}$}\\ |
| 324 |
|
{} & {} & {\small($10^{-29}$ Pa s m$^{3}$)} & {\small($10^{-29}$ Pa s m$^{3}$)} & {} & {}\\ \hline |
| 325 |
< |
{Sphere} & {$x = y = z$} & {} & {5.37237} & {1} & {1}\\ |
| 326 |
< |
{Prolate Ellipsoid} & {$x = y$} & {} & {3.59881} & {} & {0.768726}\\ |
| 327 |
< |
{Prolate Ellipsoid} & {$z$} & {} & {9.01084} & {} & {1.92477}\\ \hline \hline |
| 325 |
> |
{Sphere (r = 20 \AA)} & {$x = y = z$} & {} & {6.13239} & {1} & {1}\\ |
| 326 |
> |
{Sphere (r = 30 \AA)} & {$x = y = z$} & {} & {20.6968} & {1} & {1}\\ |
| 327 |
> |
{Sphere (r = 40 \AA)} & {$x = y = z$} & {} & {49.0591} & {1} & {1}\\ |
| 328 |
> |
{Prolate Ellipsoid} & {$x = y$} & {} & {8.22846} & {} & {1.92477}\\ |
| 329 |
> |
{Prolate Ellipsoid} & {$z$} & {} & {3.28634} & {} & {0.768726}\\ |
| 330 |
> |
\hline \hline |
| 331 |
|
\label{table:interfacialfrictionstick} |
| 332 |
|
\end{longtable} |
| 333 |
|
|
