-Regarding the outcome of both, high and low 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 distributions 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 carbon concentration simulations.
-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.
-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: C sub and Si self-int is energetically less favorable! Maybe fast migration of Si (mentioned in another Todo)? If true, we have to care about Si removal in simulations? In any way these findings suggest a different prec model.}
+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.
+
+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.
+
+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{}.
+
+
+\section{Conclusions concerning the SiC conversion mechanism}
+
+MD simulations at temperatures used in IBS result in structures that are dominated by the C$_{\text{i}}$ \hkl<1 0 0> DB and its combinations if C is inserted into the total volume.
+Incorporation into volumes $V_2$ and $V_3$ leads to an amorphous SiC-like structure within the respective volume.
+To compensate overestimated diffusion barriers, simulations at accordingly increased temperatures are performed.
+No significant change is observed for high C concentrations.
+The amorphous phase is maintained.
+Due to the incorporation of a huge amount of C into a small volume within a short period of time, damage is produced, which obviously decelerates structural evolution.
+For the low C concentrations, time scales are still too low to observe C agglomeration sufficient for SiC precipitation, which is attributed to the slow phase space propagation inherent to MD in general.
+However, a phase transition of the C$_{\text{i}}$-dominated into a clearly C$_{\text{s}}$-dominated structure is observed.
+The amount of substitutionally occupied C atoms increases with increasing temperature.
+Isolated structures of stretched SiC adjusted to the c-Si host with respect to the lattice constant and alignement are formed.
+Entropic contributions are assumed to be responsible for these structures at elevated temperatures that deviate from the ground state at 0 K.
+
+Results of the MD simulations at different temperatures and C concentrations can be correlated to experimental findings.
+IBS studies revealed increased implantation temperatures to be more efficient than postannealing methods for the formation of topotactically aligned precipitates \cite{kimura82,eichhorn02}.
+In particular, the restructuring of strong C-C bonds is affected \cite{deguchi92}.
+These bonds preferentially arise if additional kinetic energy provided by an increase of the implantation temperature is missing to accelerate or even enable atomic rearrangements.
+This is assumed to be related to the problem of slow structural evolution encountered in the high C concentration simulations.
+The insertion of high amounts of C into a small volume within a short period of time resulting in essentially no time for the system to rearrange.
+% rt implantation + annealing
+Furthermore, C implanted at room temperature was found to be able to migrate towards the surface and form C-rich clusters in contrast to implantations at elevated temperatures, which form stable epitaxially aligned 3C-SiC precipitates \cite{serre95}.
+In simulation, low temperatures result in configurations of highly mobile \ci{} \hkl<1 0 0> DBs whereas elevated temperatures show configurations of \cs{}, which constitute an extremely stable configuration that is unlikely to migrate.
+Indeed, in the optimized recipe to form 3C-SiC by IBS \cite{lindner99}, elevated temperatures are used to improve the epitaxial orientation together with a low temperature implant to destroy stable SiC nanocrystals at the interface, which are unable to migrate during thermal annealing resulting in a rough surface.
+Furtermore, the improvement of the epitaxial orientation of the precipitate with increasing temperature in experiment perfectly conforms to the increasing occurrence of \cs{} in simulation.
+At elevated temperatures, implanted C is therefore expected to occupy substitutionally usual Si lattice sites right from the start.
+
+Thus, elevated temperatures are considered to constitute a necessary condition to deviate the system from equilibrium, as it is the case in IBS.
+It is concluded that precipitation occurs by successive agglomeration of C$_{\text{s}}$ as already proposed by Nejim et~al.~\cite{nejim95}.
+This agrees well with a previous results of the {\em ab initio} study on defects in C implanted Si, which show C$_{\text{s}}$ to occur in all probability.
+However, agglomeration and rearrangement is enabled by mobile C$_{\text{i}}$, which has to be present at the same time and is formed by recombination of C$_{\text{s}}$ and Si$_{\text{i}}$.
+In contrast to assumptions of an abrupt precipitation of an agglomerate of C$_{\text{i}}$ \cite{werner96,werner97,eichhorn99,lindner99_2,koegler03}, however, structural evolution is believed to occur by a successive occupation of usual Si lattice sites with substitutional C.
+This mechanism satisfies the experimentally observed alignment of the \hkl(h k l) planes of the precipitate and the substrate, whereas there is no obvious reason for the topotactic orientation of an agglomerate consisting exclusively of C-Si dimers, which would necessarily involve a much more profound change in structure for the transition into SiC.
+
+\ifnum1=0
+
+\section{Valuation of a practicable temperature limit}
+\label{section:md:tval}