sec checkin

[lectures/latex.git] / posic / thesis / md.tex

diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex
index ec1f71e..c7ec4e9 100644 (file)
--- a/posic/thesis/md.tex
+++ b/posic/thesis/md.tex
@@ -561,9 +561,9 @@ This is surprising since the melting transition of plain c-Si is expected at tem
 Obviously the precipitate lowers the transition point of the surrounding c-Si matrix.
 For the rearrangement simulations temperatures well below the transition point should be used since it is very unlikely to recrystallize the molten Si surrounding properly when cooling down.
 To play safe the precipitate configuration at 100 \% of the Si melting temperature is chosen and cooled down to $20\,^{\circ}\mathrm{C}$ with a cooling rate of $1\,^{\circ}\mathrm{C}/\text{ps}$.
-{\color{blue}TODO: Wait for results and then compare structure (PC) and interface energy, maybe a energetically more favorable configuration arises.}
-{\color{red}TODO: Mention the fact, that the precipitate is stable for eleveated temperatures, even for temperatures where the Si matrix is melting.}
-{\color{red}TODO: Si starts to melt at the interface, show pictures and explain, it is due to the defective interface region.}
+{\color{blue}Todo: Wait for results and then compare structure (PC) and interface energy, maybe a energetically more favorable configuration arises.}
+{\color{red}Todo: Mention the fact, that the precipitate is stable for eleveated temperatures, even for temperatures where the Si matrix is melting.}
+{\color{red}Todo: Si starts to melt at the interface, show pictures and explain, it is due to the defective interface region.}
 
 \subsection{Simulations at temperatures around the silicon melting point}
 
@@ -593,20 +593,20 @@ The return to lower temperatures is considered seperately.
 \end{figure}
 Figure \ref{fig:md:exceed100} and \ref{fig:md:exceed120} show the evolution of the free energy per atom and the quality at 100 \% and 120 \% of the Si melting temperature.
  
-{\color{red}TODO: Melting occurs, show and explain it and that it's due to the defects created.}
+{\color{red}Todo: Melting occurs, show and explain it and that it's due to the defects created.}
 
-{\color{red}TODO: Due to melting, after insertion, simulation is continued NVE, so melting hopefully will not occur, before it will be cooled down later on.}
+{\color{red}Todo: Due to melting, after insertion, simulation is continued NVE, so melting hopefully will not occur, before it will be cooled down later on.}
 
-{\color{red}TODO: In additions simulations at 95 \% of the Si melting temperature are started again for longer times.}
+{\color{red}Todo: In additions simulations at 95 \% of the Si melting temperature are started again for longer times.}
 
 \subsection{Further accelerated dynamics approaches}
 
-{\color{red}TODO: self-guided MD!}
+{\color{red}Todo: self-guided MD!}
 
-{\color{red}TODO: other approaches?}
+{\color{red}Todo: other approaches?}
 
 {\color{red}
-TODO: ART MD?
+Todo: ART MD?
 Also, how about forcing a migration of a $V_2$ configuration to a constructed prec configuration, detrmine the maximum saddle point and let the simulation run.
 }