-Regarding these findings there is a clear evidence of the formation of an amorphous SiC-like phase for all high concentration simulations performed at various temperatures.
-No significant structural change is observed for elevated temperatures.
-However, with the disappearance of the peaks at the respective cut-off radii one limitation of the short range potential seems to be accomplished.
-In addition, sharper peaks in the radial distributions at distances that are also expected for a-SiC might indicate a slight acceleration of the dynamics carried out at elevated temperatures, that is an expeditious formation of a structure superiorly compareable to a-SiC.
-The increase in temperature leads to the occupation of new defect states, which is particularly evident for low carbon concentrations.
-The question remains whether these states are only occupied due to the additional supply of kinetic energy and, thus, have to be considered unnatural for temperatures applied in IBS or whether the increase in temperature indeed enabled infrequent transitions to occur much faster, thus, leading to the intended acceleration of the dynamics and weakening of the unphysical quirks inherent to the potential.
-{\color{red}Todo: Formation energy of C sub and nearby Si self-int, to see whether this is a preferable state!}
-In the first case these occupied states would be expected to be higher in energy than the states occupied at low temperatures.
-Since substitutional C without the presence of a Si self-interstitial is energetically more favorable than the lowest defect structure obtained without removing a Si atom, that is the \hkl<1 0 0> dumbbell interstitial, and the migration of Si self-interstitials towards the sample surface can be assumed for real life experiments \cite{}, this approach is accepted as an accelerated way of approximatively describing the structural evolution.
-{\color{red}Todo: If C sub and Si self-int is energetically more favorable, the migration towards the surface can be kicked out. Otherwise we should actually care about removal of Si! In any way these findings suggest a different prec model.}
-
-\begin{figure}[!ht]
+To summarize, the amorphous phase remains.
+Huge amounts of damage hamper identification.
+The alignment of the investigated structures to the c-Si host is lost in many cases, which suggests the necessity of much more time for structural evolution to maintain the topotactic orientation of the precipitate.
+Though, sharper peaks in the radial distributions at distances expected for a-SiC are observed indicating a slight acceleration of the dynamics due to elevated temperatures.
+
+\subsection{Conclusions concerning the usage of increased temperatures}
+
+Regarding the outcome of both, high and low C concentration simulations at increased temperatures, encouraging conclusions can be drawn.
+With the disappearance of the peaks at the respective cut-off radii, one limitation of the short range potential seems to be accomplished.
+In addition, sharper peaks in the radial distribution functions lead to the assumption of expeditious structural formation.
+The increase in temperature leads to the occupation of new defect states, which is particularly evident but not limited to the low C concentration simulations.
+
+% todo - cut-off effect increases for non-equilibrium processes, thus, to mimic IBS increased temperatures are exceptionally necessary
+The question remains, whether these states are only occupied due to the additional supply of kinetic energy and, thus, have to be considered unnatural for temperatures applied in IBS or whether the increase in temperature indeed enables infrequent transitions to occur faster, thus, leading to the intended acceleration of the dynamics and weakening of the unphysical quirks inherent to the potential.
+As already pointed out in section~\ref{section:defects:noneq_process_01} and section~\ref{section:defects:noneq_process_02}, IBS is a non-equilibrium process, which might result in the formation of the thermodynamically less stable \cs{} and \si{} configuration.
+Indeed, 3C-SiC is metastable and if not fabricated by IBS requires strong deviation from equilibrium and low temperatures to stabilize the 3C polytype.
+In IBS, highly energetic C atoms are able to generate vacant sites, which in turn can be occupied by highly mobile \ci{} atoms.
+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.
+
+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
+
+\section{Long time scale simulations at maximum temperature}
+
+As discussed in section~\ref{section:md:limit} and~\ref{section:md:inct} a further increase of the system temperature might help to overcome limitations of the short range potential and accelerate the dynamics involved in structural evolution.
+Furthermore these results indicate that increased temperatures are necessary to drive the system out of equilibrium enabling conditions needed for the formation of a metastable cubic polytype of SiC.
+
+A maximum temperature to avoid melting is determined in section \ref{section:md:tval} to be 120 \% of the Si melting point but due to defects lowering the transition point a maximum temperature of 95 \% of the Si melting temperature is considered usefull.
+This value is almost equal to the temperature of $2050\,^{\circ}\mathrm{C}$ already used in former simulations.
+Since the maximum temperature is reached the approach is reduced to the application of longer time scales.
+This is considered usefull since the estimated evolution of quality in the absence of the cooling down sequence in figure~\ref{fig:md:tot_si-c_q} predicts an increase in quality and, thus, structural evolution is liekyl to occur if the simulation is proceeded at maximum temperature.
+
+Next to the employment of longer time scales and a maximum temperature a few more changes are applied.
+In the following simulations the system volume, the amount of C atoms inserted and the shape of the insertion volume are modified from the values used in first MD simulations.
+To speed up the simulation the initial simulation volume is reduced to 21 Si unit cells in each direction and 5500 inserted C atoms in either the whole volume or in a sphere with a radius of 3 nm corresponding to the size of a precipitate consisting of 5500 C atoms.
+The 100 ps sequence after C insertion intended for structural evolution is exchanged by a 10 ns sequence, which is hoped to result in the occurence of infrequent processes and a subsequent phase transition.
+The return to lower temperatures is considered seperately.
+
+\begin{figure}[tp]