X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fmd.tex;h=9d5121571b1ff5e82dfdc5d1c5bcede43a451e2b;hp=81e94a37c29a484ad48e81306c1d722266f3871e;hb=aceecd26df3677e45b2d64d82fe700a8e626f9e5;hpb=f4b2995356db6ba54386e7f34133ea243a0aafcb

diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex
index 81e94a3..9d51215 100644
--- a/posic/thesis/md.tex
+++ b/posic/thesis/md.tex
@@ -148,7 +148,7 @@ The radial distribution function $g(r)$ for C-C and Si-Si distances is shown in
 \begin{center}
  \includegraphics[width=0.7\textwidth]{sic_prec_450_si-si_c-c.ps}
 \end{center}
-\caption[Radial distribution function of the C-C and Si-Si distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of \unit\[450\]{$^{\circ}$C} and cooled down to room temperature.]{Radial distribution function of the C-C and Si-Si distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of \unit[450]{$^{\circ}$C} and cooled down to room temperature. The bright blue graph shows the Si-Si radial distribution for pure c-Si. The insets show magnified regions of the respective type of bond.}
+\caption[Radial distribution function of the C-C and Si-Si distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of {\unit[450]{$^{\circ}$C}} and cooled down to room temperature.]{Radial distribution function of the C-C and Si-Si distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of \unit[450]{$^{\circ}$C} and cooled down to room temperature. The bright blue graph shows the Si-Si radial distribution for pure c-Si. The insets show magnified regions of the respective type of bond.}
 \label{fig:md:pc_si-si_c-c}
 \end{figure}
 \begin{figure}[tp]
@@ -190,7 +190,7 @@ This excellently agrees with the calculated value $r(13)$ in Table~\ref{tab:defe
 \begin{center}
  \includegraphics[width=0.7\textwidth]{sic_prec_450_si-c.ps}
 \end{center}
-\caption{Radial distribution function of the Si-C distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of \unit[450]{$^{\circ}$C} and cooled down to room temperature. Additionally the resulting Si-C distances of a \ci{} \hkl<1 0 0> DB configuration are given.}
+\caption[Radial distribution function of the Si-C distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of {\unit[450]{$^{\circ}$C}} and cooled down to room temperature.]{Radial distribution function of the Si-C distances for 6000 C atoms inserted into the three different volumes $V_1$, $V_2$ and $V_3$ at a temperature of \unit[450]{$^{\circ}$C} and cooled down to room temperature. Additionally the resulting Si-C distances of a \ci{} \hkl<1 0 0> DB configuration are given.}
 \label{fig:md:pc_si-c}
 \end{figure}
 Fig.~\ref{fig:md:pc_si-c} displays the Si-C radial distribution function for all three insertion volumes together with the Si-C bonds as observed in a \ci{} \hkl<1 0 0> DB configuration.
@@ -415,8 +415,12 @@ In IBS, highly energetic C atoms are able to generate vacant sites, which in tur
 This is in fact found to be favorable in the absence of the \si{}, which turned out to have a low interaction capture radius with the \cs{} atom and very likely prevents the recombination into a thermodynamically stable \ci{} DB for appropriate separations of the defect pair.
 Results gained in this chapter show preferential occupation of Si lattice sites by \cs{} enabled by increased temperatures supporting the assumptions drawn from the defect studies of the last chapter.
 
-Thus, it is concluded that increased temperatures is not exclusively usefull to accelerate the dynamics approximatively describing the structural evolution.
-Moreover it can be considered a necessary condition to deviate the system out of equilibrium enabling the formation of 3C-SiC, which is obviously realized by a successive agglomeration of \cs{}.
+Moreover, the cut-off effect as detailed in section~\ref{section:md:limit} is particularly significant for non-equilibrium processes.
+Thus, for instance, it is not surprising that short range potentials show overestimated melting temperatures while properties of structures that are only slightly deviated from equilibrium are well described.
+Due to this, increased temperatures are considered exceptionally necessary for modeling non-equilibrium processes and structures such as IBS and 3C-SiC.
+
+Thus, it is concluded that increased temperatures are not exclusively usefull to accelerate the dynamics approximatively describing the structural evolution.
+Moreover, it can be considered a necessary condition to deviate the system out of equilibrium enabling the formation of 3C-SiC, which is obviously realized by a successive agglomeration of \cs{}.
 
 \ifnum1=0
 
@@ -441,14 +445,14 @@ The return to lower temperatures is considered seperately.
 \includegraphics[width=0.7\textwidth]{c_in_si_95_v1_si-c.ps}\\
 \includegraphics[width=0.7\textwidth]{c_in_si_95_v1_c-c.ps}
 \end{center}
-\caption{Si-C (top) and C-C (bottom) radial distribution for low concentration simulations at 95 \% of the potential's Si melting point at different points in time of the simulation.}
+\caption[Si-C and C-C radial distribution for low concentration simulations at {\unit[95]{\%}} of the potential's Si melting point at different points in time of the simulation.]{Si-C (top) and C-C (bottom) radial distribution for low concentration simulations at \unit[95]{\%} of the potential's Si melting point at different points in time of the simulation.}
 \label{fig:md:95_long_time_v1}
 \end{figure}
 \begin{figure}[tp]
 \begin{center}
 \includegraphics[width=0.7\textwidth]{c_in_si_95_v2.ps}
 \end{center}
-\caption{Si-C and C-C radial distribution for high concentration simulations at 95 \% of the potential's Si melting point at different points in time of the simulation.}
+\caption{Si-C and C-C radial distribution for high concentration simulations at \unit[95]{\%} of the potential's Si melting point at different points in time of the simulation.}
 \label{fig:md:95_long_time_v2}
 \end{figure}