| 115 |
|
\subsection{Interfacial width} |
| 116 |
|
In the literature there is good agreement that between the solid ice and |
| 117 |
|
the bulk water, there exists a region of 'slush-like' water molecules. |
| 118 |
< |
In this region, the water molecules are structured differently and |
| 118 |
> |
In this region, the water molecules are structurely distinguishable and |
| 119 |
|
behave differently than those of the solid ice or the bulk water. |
| 120 |
|
The characteristics of this region have been defined by both structural |
| 121 |
|
and dynamic properties; and its width has been measured by the change of these |
| 298 |
|
\begin{equation} |
| 299 |
|
\kappa = \frac{\frac{\partial v_x}{\partial z}}{\mathbf{v}}\eta(225) |
| 300 |
|
\end{equation} |
| 301 |
+ |
|
| 302 |
+ |
\begin{table}[h] |
| 303 |
+ |
\centering |
| 304 |
+ |
\caption{$\kappa$ values for the basal, prismatic, pyramidal, and secondary prismatic facets of Ice-I$_\mathrm{h}$} |
| 305 |
+ |
\label{tab:kappa} |
| 306 |
+ |
\begin{tabular}{|ccc|} \hline |
| 307 |
+ |
& \multicolumn{2}{c|}{$\kappa_{Drag direction}$} \\ |
| 308 |
+ |
Interface & $\kappa_{x}$ & $\kappa_{y}$ \\ \hline |
| 309 |
+ |
basal & $0.00059 \pm 0.00003$ & $0.00065 \pm 0.00008$ \\ |
| 310 |
+ |
prismatic & $0.00030 \pm 0.00002$ & $0.00030 \pm 0.00001$ \\ |
| 311 |
+ |
pyramidal & $0.00058 \pm 0.00004$ & $0.00061 \pm 0.00005$ \\ |
| 312 |
+ |
secondary prism & $0.00035 \pm 0.00001$ & $0.00033 \pm 0.00002$ \\ \hline |
| 313 |
+ |
\end{tabular} |
| 314 |
+ |
\end{table} |
| 315 |
|
|
| 316 |
+ |
|
| 317 |
|
To obtain the value of $\eta(225)$ for the SPC/E model, a $31.09 \times 29.38 |
| 318 |
|
\times 124.39$ \AA\ box with 3744 water molecules was equilibrated to 225K, |
| 319 |
< |
and 6 unique shearing experiments were performed. Each experiment was |
| 320 |
< |
conducted in the microcanonical ensemble (NVE) and were 1 ns in |
| 321 |
< |
length. The VSS were attempted every timestep, which was set to 2 fs. |
| 319 |
> |
and 5 unique shearing experiments were performed. Each experiment was |
| 320 |
> |
conducted in the microcanonical ensemble (NVE) and were 5 ns in |
| 321 |
> |
length. The VSS were attempted every timestep, which was set to 2 fs. |
| 322 |
> |
For our SPC/E systems, we found $\eta(225)$ to be $0.0148 \pm 0.0007 Pa s$, |
| 323 |
> |
roughly ten times larger than the value found for 280 K SPC/E water by |
| 324 |
> |
Kuang\cite{kuang12}. |
| 325 |
|
|
| 326 |
|
|
| 327 |
|
\begin{table}[h] |
