\textbf{Quantum Molecular Dynamics Validation of Nanocarbon Synthesis by High-Temperature Oxidation of Nanoparticles}

High-temperature oxidation of silicon-carbide nanoparticles (nSiC) underlies a wide range of technologies from high-power electronic switches for efficient electrical grid, thermal protection of space vehicles, to self-healing ceramic nanocomposites. Here, multimillion-atom reactive molecular dynamics simulations validated by \textit{ab initio} quantum molecular dynamics simulations predict unexpected condensation of large graphene flakes during high-temperature oxidation of nSiC. In the validation process Small nSiC in oxygen environment is chosen to perform QMD simulation, then the QMD results provide the number of Si-O and C-O bonds as a function of time and high temperature, Same RMD simulation is simultaneously performed. We compare the time evolution of different bonds, and observe the condensation of large number of C-cluster nuclei into larger carbon clusters. We further provide the QMD simulation results as an input to a genetic algorithm, which trains the RMD force field parameters, the output force field produce results that are closer to the ground truth QMD simulation results.