This is considered useful 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 likely 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.
This is considered useful 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 likely 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.