| 76 |
|
prismatic facets of ice Ih, now presenting the pyramidal and secondary |
| 77 |
|
prismatic facets under shear. |
| 78 |
|
|
| 79 |
+ |
Investigation of the ice/water interface is crucial in understanding |
| 80 |
+ |
the fundamental processes of nucleation,\cite{} crystal |
| 81 |
+ |
growth,\cite{Han92, Granasy95, Vanfleet95} and crystal |
| 82 |
+ |
melting,\cite{Weber83, Han92, Sakai96, Sakai96B}. Insight gained to these |
| 83 |
+ |
properties can also be applied to biological systems of interest, such as |
| 84 |
+ |
the behavior of the antifreeze protein found in winter |
| 85 |
+ |
flounder,\cite{Wierzbicki07, Chapsky97} and certain terrestial |
| 86 |
+ |
arthropods.\cite{Duman:2001qy,Meister29012013}%add more! |
| 87 |
+ |
|
| 88 |
+ |
The Ice-I$_\mathrm{h}$/water quiescent interface has been extensively studied |
| 89 |
+ |
over the past 30 years. Haymet \emph{et al.} have done significant work |
| 90 |
+ |
characterizing and quantifying the width of these interfaces for the |
| 91 |
+ |
SPC,\cite{Karim90} SPC/E,\cite{Gay02,Bryk02}, CF1,\cite{Hayward01,Hayward02} |
| 92 |
+ |
and TIP4P\cite{Karim88} models for water. In recent years, Haymet has focused |
| 93 |
+ |
on investigating the effects cations and anions have on crystal |
| 94 |
+ |
nucleaion and melting.\cite{Bryk04,Smith05,Wilson08,Wilson10} |
| 95 |
+ |
|
| 96 |
+ |
|
| 97 |
|
\section{Methodology} |
| 98 |
|
|
| 99 |
|
\begin{figure} |
| 123 |
|
instead of 225K. The ice / water systems generated were then equilibrated |
| 124 |
|
to 225K. The resulting pyramidal system was |
| 125 |
|
$37.47 \times 29.50 \times 93.02$ \AA\ with 1216 |
| 126 |
< |
SPC/E molecules in the ice slab, and 2203 in the liquid phase. The secondary |
| 126 |
> |
SPC/E\cite{Berendsen97} molecules in the ice slab, and 2203 in the liquid |
| 127 |
> |
phase. The secondary |
| 128 |
|
prismatic system generated was $71.87 \times 31.66 \times 161.55$ \AA\ with |
| 129 |
|
3840 |
| 130 |
|
SPC/E molecules in the ice slab and 8176 molecules in the liquid phase. |
