trunk/scienceIcei/iceiPaper.fff

\begin{figure*}

\includegraphics[width=4in]{iCrystal.eps}
\caption{(A) Unit cell for Ice-{\it i}, (B) Ice-{\it i}$^\prime$,
and (C) a rendering of a proton ordered crystal of Ice-{\it i} looking
down the (001) crystal face.  In the unit cells, the spheres represent
the center-of-mass locations of the water molecules.  The $a$ to $c$
ratios for Ice-{\it i} and Ice-{\it i}$^\prime$ are given by
$a:2.1214c$ and $a:1.785c$ respectively. The presence of large
octagonal pores in both crystal forms lead to a polymorph that is less
dense than ice $I_h$.}
\label{iCrystal}
\end{figure*}
\efloatseparator
 
\begin{figure*}

\includegraphics[width=\linewidth]{tp3PhaseDia.eps}
\caption{Phase diagram for the TIP3P water model in the low pressure
regime.  The displayed $T_m$ and $T_b$ values are good predictions of
the experimental values; however, the solid phases shown are not the
experimentally observed forms.  Both cubic and hexagonal ice $I$ are
higher in energy and don't appear in the phase diagram.}
\label{tp3PhaseDia}
\end{figure*}
\efloatseparator
 
\begin{figure*}

\includegraphics[width=\linewidth]{cutoffChange.eps}
\caption{Free energy as a function of cutoff radius for SSD/E, TIP3P,
SPC/E, SSD/RF with a reaction field, and the TIP3P and SPC/E models
with an added Ewald correction term.  Error for the larger cutoff
points is equivalent to that observed at 9.0\AA\ (see Table
\ref{freeEnergy}).  Data for ice I$_c$ with TIP3P using both 12 and
13.5 \AA\ cutoffs were omitted because the crystal was prone to
distortion and melting at 200 K.  Ice-{\it i}$^\prime$ is the form of
Ice-{\it i} used in the SPC/E simulations.}
\label{incCutoff}
\end{figure*}
\efloatseparator
 
Revision:	1845
Committed:	Fri Dec 3 22:39:30 2004 UTC (20 years, 11 months ago) by chrisfen
File size:	1691 byte(s)
Log Message:	the short version
#	User	Rev	Content
1	chrisfen	1845	\begin{figure*}
2
3			\includegraphics[width=4in]{iCrystal.eps}
4			\caption{(A) Unit cell for Ice-{\it i}, (B) Ice-{\it i}$^\prime$,
5			and (C) a rendering of a proton ordered crystal of Ice-{\it i} looking
6			down the (001) crystal face. In the unit cells, the spheres represent
7			the center-of-mass locations of the water molecules. The $a$ to $c$
8			ratios for Ice-{\it i} and Ice-{\it i}$^\prime$ are given by
9			$a:2.1214c$ and $a:1.785c$ respectively. The presence of large
10			octagonal pores in both crystal forms lead to a polymorph that is less
11			dense than ice $I_h$.}
12			\label{iCrystal}
13			\end{figure*}
14			\efloatseparator
15
16			\begin{figure*}
17
18			\includegraphics[width=\linewidth]{tp3PhaseDia.eps}
19			\caption{Phase diagram for the TIP3P water model in the low pressure
20			regime. The displayed $T_m$ and $T_b$ values are good predictions of
21			the experimental values; however, the solid phases shown are not the
22			experimentally observed forms. Both cubic and hexagonal ice $I$ are
23			higher in energy and don't appear in the phase diagram.}
24			\label{tp3PhaseDia}
25			\end{figure*}
26			\efloatseparator
27
28			\begin{figure*}
29
30			\includegraphics[width=\linewidth]{cutoffChange.eps}
31			\caption{Free energy as a function of cutoff radius for SSD/E, TIP3P,
32			SPC/E, SSD/RF with a reaction field, and the TIP3P and SPC/E models
33			with an added Ewald correction term. Error for the larger cutoff
34			points is equivalent to that observed at 9.0\AA\ (see Table
35			\ref{freeEnergy}). Data for ice I$_c$ with TIP3P using both 12 and
36			13.5 \AA\ cutoffs were omitted because the crystal was prone to
37			distortion and melting at 200 K. Ice-{\it i}$^\prime$ is the form of
38			Ice-{\it i} used in the SPC/E simulations.}
39			\label{incCutoff}
40			\end{figure*}
41			\efloatseparator
42