--- trunk/COonPt/firstTry.tex	2012/12/14 04:02:29	3812
+++ trunk/COonPt/firstTry.tex	2012/12/14 05:35:49	3813
@@ -270,7 +270,21 @@ Our model systems are composed of approximately 4000 m
 
 \subsection{Construction and Equilibration of 557 Metal interfaces}
 
-Our model systems are composed of approximately 4000 metal atoms cut along the 557 plane so that they are periodic in the \it{x} and \it{y} directions exposing the 557 plane in the \it{z} direction. Runs at various temperatures ranging from 300~K to 1200~K were started with the intent of viewing relative stability of the surface when CO was not present in the system.  Owing to the different melting points (1337~K for Au and 2045~K for Pt), the bare crystal systems were initially run in the Canonical ensemble for at 800~K and 1000~K respectively for 100 ps. Various amounts of CO were placed in the vacuum portion which upon full adsorption to the surface corresponded to 5\%, 25\%, 33\%, and 50\% coverages. These systems were again allowed to reach thermal equilibrium before being run in the micro canonical ensemble. All of the systems examined were run for at least 40 ns. A subset that were undergoing interesting effects have been allowed to continue running with one system approaching 200 ns.em
+Our model systems are composed of approximately 4000 metal atoms 
+cut along the 557 plane so that they are periodic in the {\it x} and {\it y} 
+directions exposing the 557 plane in the {\it z} direction. Runs at various
+temperatures ranging from 300~K to 1200~K were started with the intent
+of viewing relative stability of the surface when CO was not present in the
+system.  Owing to the different melting points (1337~K for Au and 2045~K for Pt),
+the bare crystal systems were initially run in the Canonical ensemble at
+800~K and 1000~K respectively for 100 ps. Various amounts of CO were
+placed in the vacuum region, which upon full adsorption to the surface
+corresponded to 5\%, 25\%, 33\%, and 50\% coverages. These systems
+were again allowed to reach thermal equilibrium before being run in the
+microcanonical ensemble. All of the systems examined in this work were
+run for at least 40 ns. A subset that were undergoing interesting effects
+have been allowed to continue running with one system approaching 200 ns.
+All simulations were run using the open source molecular dynamics package, OpenMD. \cite{Ewald, OOPSE}