However, the decrease of the cut-off artifact and slightly sharper peaks observed with increasing temperature, in turn, indicate a slight acceleration of the dynamics realized by the supply of kinetic energy.
However, it is not sufficient to enable the amorphous to crystalline transition.
In contrast, even though next neighbored C bonds could be partially dissolved in the system exhibiting low C concentrations the amount of next neighbored C pairs even increased in the latter case.
-Moreover the peak at \unit[0.252]{nm}, which gets slightly more distinct, equals the second next neighbor distance in diamond and indeed is made up by a structure of two C atoms interconnected by a third C atom.
-Obviously conducive rearrangements of C are hindered in a system, in which high amounts of C are incoorporated within a too short period of time.
-Thus, for these systems even larger time scales are necessary for an amorphous to crystalline transition and structural evolution in general, which is not accessible by the traditional MD technique.
+Moreover the C-C peak at \unit[0.252]{nm}, which gets slightly more distinct, equals the second next neighbor distance in diamond and indeed is made up by a structure of two C atoms interconnected by a third C atom.
+Obviously processes that appear to be non-conducive are likewise accelerated in a system, in which high amounts of C are incoorporated within a short period of time, which is accompanied by a concurrent introduction of accumulating, for the reason of time non-degradable, damage.
+% non-degradable, non-regenerative, non-recoverable
+Thus, for these systems even larger time scales, which are not accessible within traditional MD, must be assumed for an amorphous to crystalline transition or structural evolution in general.
% maybe put description of bonds in here ...
+Nevertheless, some results likewiese indicate the acceleration of other processes that, again, involve C$_{\text{s}}$.
+The increasingly pronounced Si-C peak at \unit[0.35]{nm} corresponds to the distance of a C and a Si atom interconnected by another Si atom.
+Additionally the C-C peak at \unit[0.31]{nm} corresponds to the distance of two C atoms bound to a central Si atom.
+For both structures the C atom appears to reside on a substitutional rather than an interstitial lattice site.
+However, huge amount of damage hampers identification.
+The alignment of the investigated structures to the c-Si host is lost in many cases, which suggests the necissity of much more time for structural evolution to maintain the topotaptic orientation of the precipitate.
+\section{Discussion}
+Investigations are targeted on the initially stated controversy of SiC precipitation, i.e. whether precipitation occurs abrubtly after ehough C$_{\text{i}}$ agglomerated or a successive agglomeration of C$_{\text{s}}$ on usual Si lattice sites (and Si$_{\text{i}}$) followed by a contraction into incoherent SiC.
+Results of a previous ab initio study on defects and defect combinations in C implanted Si\cite{zirkelbach10b} sugeest C$_{\text{s}}$ to play a decisive role in the precipitation of SiC in Si.
+To support previous assumptions MD simulations, which are capable of modeling the necessary amount of atoms, i.e. the precipitate and the surrounding c-Si structure, have been employed in the current study.
+In a previous comparative study\cite{zirkelbach10a} we have schown that the utilized empirical potential fails to describe some selected processes.
+Thus, limitations of the employed potential have been further investigated and taken into account in the present study.
+We focussed on two major shortcomings: the overestimated activation energy and the poor description of intrinsic and C point defects in Si.
-\section{Discussion}
Sii stress compensation ...
+Concluded that C sub is very probable ...
+Alignment lost, successive substitution more probable to end up with topotactic 3C-SiC.
+
+
Both, low and high, acceleration not enough to either observe C agglomeration or amorphous to crystalline transition ...
The first-principles results are in good agreement to previous work on this subject\cite{burnard93,leary97,dal_pino93,capaz94}.
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