+\paragraph{Conclusions}
+concerning the SiC conversion mechanism are derived from results of both, first-principles and classical potential calculations.
+Although classical potential MD calculations fail to directly simulate the precipitation of SiC, obtained results, on the one hand, reinforce previous findings of the first-principles investigations and, on the other hand, allow further conclusions on the SiC precipitation in Si.
+
+Initially, quantum-mechanical investigations suggest agglomeration of \ci{} defects that form energetically favorable configurations by an effective stress compensation.
+Low barriers of migration are found except for transitions into the ground-state configuration, which is composed of a strong C-C bond.
+Thus, agglomeration of \ci{} in the absence of C clsutering is expected.
+These initial results suggest a conversion mechansim based on the agglomeration of \ci{} defects followed by a sudden precipitation once a critical size is reached.
+However, subsequent investigations of structures that are particularly conceivable under conditions prevalant in IBS and at elevated temperatures show \cs{} to occur in all probability.
+The transition from the ground state of a single C atom incorporated into otherwise perfect c-Si, i.e. the \ci{} \hkl<1 0 0> DB, into a configuration of \cs{} next to a \si{} atom exhibits an activation energy lower than the one for the diffusion of the highly mobile \ci{} defect.
+Considering additionally the likewise lower diffusion barrier of \si{}, configurations of separated \cs{} and \si{} will occur in all probability.
+This is reinforced by the {\em ab initio} MD run at non-zero temperature, which shows structures of separating instead of recombining \cs{} and \si{} defetcs.
+This suggests increased participation of \cs{} already in the initial stages of the implantation process.
+The highly mobile \si{} is assumed to constitute a vehicle for the rearrangement of other \cs{} atoms onto proper lattice sites, i.e. lattice sites of one of the the two fcc lattices composing the diamond structure.
+This way, stretched SiC strcutures, which are coherently aligned to the c-Si host, are formed by agglomeration of \cs.
+Precipitation into an incoherent and partially strain-compensated SiC nucleus occurs once the increasing strain energy surpasses the interfacial energy of the incoherent 3C-SiC precipitate and the c-Si substrate.
+As already assumed by Nejim~et~al.~\cite{nejim95}, \si{} serves as supply for subsequently implanted C atoms to form further SiC in the resulting free space due to the accompanied volume reduction.
+
+Several conclusions based on results obtained by classical potential MD simulations are drawn.
+First of all, increased temperatures are considered a necessary condition to simulate the IBS of epitaxially aligned 3C-SiC in Si, which constitutes a process far from thermodynamic equilibrium.
+The strong deviation from equilibrium by elevated temperatures enables the formation of \cs{}-\si{} structures as observed in the quantum-mechanical calculations.
+In contrast, structures of \ci{} \hkl<1 0 0> DBs, which constitute the thermodynamic ground state, appear at low temperatures.
+%
+Secondly, in configurations of stretched SiC composed by \cs, the accompanied \si{} defect may be assigned further functionality.
+Next to that as a vehicle that is able to rearrange \cs{} and a building block for the surrounding Si host or further SiC, the analyzed configurations suggest \si{} to be required for stress compensation.
+As evidently observed in these structures, \si{} reduces tensile strain by capturing a position near one of the C atoms within a configuration of two C atoms that basically reside on Si lattice sites.
+Furthermore, \si{} might compensate strain in the interface region of an incoherent, nucleated SiC precipitate and the c-Si matrix.
+This could be achieved by \ci{} \hkl<1 0 0> DBs in the Si region slightly contracting the Si atoms next to the C atom to better match the spacing of Si atoms present in 3C-SiC.
+Indeed, combinations of \cs{} and \ci{} \hkl<1 0 0> DBs are observed.
+%
+Further conclusions are derived from results of the high C concentration simulations, in which a large amount of C atoms is incorporated into a small volume within a short period of time, which results in essentially no time for the system to rearrange.
+Due to this, the formation of strong C-C bonds and the production of a vast amount of damage is observed, which finally results in the formation of an amorphous phase.
+The strong bonds and damage obviously decelerate structural evolution.
+The short time, which is not sufficient for structural evolution, can be mapped to a system of low temperature, which lacks the kinetic energy required for the restructuring process.