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Using a combination of kinetic Activation Relaxation Technique with empiricalpotential and ab initio based climbing image nudged elastic band method, weperform an extensive search of the migration and rotation paths of the moststable carbon tri-interstitial cluster in cubic SiC. Our research reveals pathswith the lowest energy barriers to migration, rotation, and dissociation of themost stable cluster. The kinetic properties of the most stable cluster,including its mobility, rotation behavior at different temperatures andstability against high temperature annealing, are discussed based on thecalculated transition barriers. In addition to fundamental insights, our studyprovides a methodology for investigation of other extended defects in atechnologically important material.

Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC