+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 alignment 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 results 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.
+%
+% added
+This likewise agrees to results of IBS experiments utilizing implantation temperatures of \degc{550}, which require annealing temperatures as high as \degc{1405} for C segregation due to the stability of \cs{} \cite{reeson87}.
+%
+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.
+Furthermore, the improvement of the epitaxial orientation of the precipitate with increasing temperature in experiment perfectly conforms to the increasing occurrence of \cs{} in simulation.
+%
+% todo add sync here starting from strane93, werner96 ...
+Moreover, implantations of an understoichiometric dose into preamorphized Si followed by an annealing step at \degc{700} result in Si$_{1-x}$C$_x$ layers with C residing on substitutional Si lattice sites \cite{strane93}.
+For implantations of an understoichiometric dose into c-Si at room temperature followed by thermal annealing below and above \degc{700}, the formation of small C$_{\text{i}}$ agglomerates and SiC precipitates was observed respectively \cite{werner96}.
+However, increased implantation temperatures were found to be more efficient than postannealing methods resulting in the formation of SiC precipitates for implantations at \unit[450]{$^{\circ}$C} \cite{lindner99,lindner01}.
+%
+Thus, at elevated temperatures, implanted C is expected to occupy substitutionally usual Si lattice sites right from the start.
+These findings, which are outlined in more detail within the comprehensive description in chapter~\ref{chapter:summary}, are in perfect agreement with previous results of the quantum-mechanical investigations.
+
+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 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$_{\text{i}}$.
+Indeed, \si{} is observed in the direct surrounding of the stretched SiC structures.
+Next to the rearrangement, \si{} is required as a supply for additional C atoms to form further SiC and to compensate strain, either within the coherent and stretched SiC structure as well as at the interface of the incoherent SiC precipitate and the Si host.
+%
+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.