We have chosen the Large Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code to calculate the coalescence of silicon carbide (SiC), silicon oxide dust (SiO) in the AGB stellar wind. LAMMPS is a classical molecular dynamics simulation code. At the same time, we consider the effect of temperature on the evolution of molecular dynamics. We also calculated the temperature change of non-spherical SiC, SiO dust coalescence. The condensation temperature range of SiC dust in the AGB stellar wind is [300–500]k and [900–1100]k for SiO. Finally, the infrared spectrum of SiC was calculated using Gaussian 16 software. The 77SiC, 70Si3C3, and 121Si3C3 models have clear characteristic peaks of infrared spectra responding at 5, 8.6, 11.3, 15, 19, and 37 μm.

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