Deep Learning Inter-atomic Potential for Thermal and Phonon Behaviour of Silicon Carbide with Quantum Accuracy

Understand

Silicon carbide (SiC) is an essential material for next generation semiconductors and components for nuclear plants.

• It's applications are strongly dependent on its thermal conductivity, which is highly sensitive to microstructures.
• Molecular dynamics (MD) simulation is the most used methods to address thermal transportation mechanisms in devices or microstructures of nano-meters.
• However, the implementation of MD is limited in SiC because of lacking accurate inter-atomic potentials.