| 502 |
|
\end{figure} |
| 503 |
|
|
| 504 |
|
\subsection{Interfaciel Thermal Conductivity} |
| 505 |
+ |
|
| 506 |
+ |
\begin{figure} |
| 507 |
+ |
\includegraphics[width=\linewidth]{spceGrad} |
| 508 |
+ |
\caption{Temperature gradients for SPC/E water thermal conductivity.} |
| 509 |
+ |
\label{spceGrad} |
| 510 |
+ |
\end{figure} |
| 511 |
+ |
|
| 512 |
+ |
\begin{table*} |
| 513 |
+ |
\begin{minipage}{\linewidth} |
| 514 |
+ |
\begin{center} |
| 515 |
+ |
|
| 516 |
+ |
\caption{Calculation results for thermal conductivity of SPC/E water |
| 517 |
+ |
at ${\langle T\rangle}$ = 300K at various thermal exchange rates. Errors of |
| 518 |
+ |
calculations in parentheses. } |
| 519 |
+ |
|
| 520 |
+ |
\begin{tabular}{cccc} |
| 521 |
+ |
\hline |
| 522 |
+ |
$\langle dT/dz\rangle$(K/\AA) & & $\lambda$(W/m/K) & \\ |
| 523 |
+ |
& This work & Previous simulations$^a$ & Experiment$^b$\\ |
| 524 |
+ |
\hline |
| 525 |
+ |
0.3 & 0.82() & 0.784 & 0.64\\ |
| 526 |
+ |
0.8 & 0.770() & 0.730\\ |
| 527 |
+ |
1.5 & 0.813() & \\ |
| 528 |
+ |
\hline |
| 529 |
+ |
\end{tabular} |
| 530 |
+ |
\label{spceThermal} |
| 531 |
+ |
\end{center} |
| 532 |
+ |
\end{minipage} |
| 533 |
+ |
\end{table*} |
| 534 |
+ |
|
| 535 |
+ |
|
| 536 |
+ |
\begin{figure} |
| 537 |
+ |
\includegraphics[width=\linewidth]{AuGrad} |
| 538 |
+ |
\caption{Temperature gradients for crystal gold thermal conductivity.} |
| 539 |
+ |
\label{AuGrad} |
| 540 |
+ |
\end{figure} |
| 541 |
|
|
| 542 |
+ |
\begin{table*} |
| 543 |
+ |
\begin{minipage}{\linewidth} |
| 544 |
+ |
\begin{center} |
| 545 |
+ |
|
| 546 |
+ |
\caption{Calculation results for thermal conductivity of crystal gold |
| 547 |
+ |
at ${\langle T\rangle}$ = 300K at various thermal exchange rates. Errors of |
| 548 |
+ |
calculations in parentheses. } |
| 549 |
+ |
|
| 550 |
+ |
\begin{tabular}{ccc} |
| 551 |
+ |
\hline |
| 552 |
+ |
$\langle dT/dz\rangle$(K/\AA) & $\lambda$(W/m/K)\\ |
| 553 |
+ |
& This work & Previous simulations$^a$ \\ |
| 554 |
+ |
\hline |
| 555 |
+ |
1.4 & 1.10() & \\ |
| 556 |
+ |
2.8 & 1.08() & \\ |
| 557 |
+ |
5.1 & 1.15() & \\ |
| 558 |
+ |
\hline |
| 559 |
+ |
\end{tabular} |
| 560 |
+ |
\label{AuThermal} |
| 561 |
+ |
\end{center} |
| 562 |
+ |
\end{minipage} |
| 563 |
+ |
\end{table*} |
| 564 |
+ |
|
| 565 |
+ |
|
| 566 |
|
\section{Acknowledgments} |
| 567 |
|
Support for this project was provided by the National Science |
| 568 |
|
Foundation under grant CHE-0848243. Computational time was provided by |
