Thermo-physical characteristics of 3C‐SiC structure subjected to microwave exposure: A molecular dynamics study

Silicon carbide (SiC) is widely used as a susceptor for microwave hybrid heating applications owing to its exceptional microwave absorbing characteristics. In practice, it is challenging to characterize the thermo-physical behaviour of the microwave irradiated SiC-based targets experimentally due to interference of integrated measurement devices with microwaves. In this article, molecular dynamics simulations were performed to understand the atomistic response of a bulk 3C‐SiC model during microwave heating. Atomistic simulations were performed at different electric field strengths (ranging from 0.1 to 0.5 V/Å) and frequencies (ranging from 100 to 500 GHz) to develop a numerical relationship between temperature and time in order to predict the thermal response of bulk 3C‐SiC. On the other hand, the physical characteristics of the bulk 3C‐SiC were determined by the plots between mean square displacement (MSD), time and diffusion coefficients. The results showed that at 0.5 V/Å electric field strength and 500 GHz frequency, the diffusion coefficient increased up to 88% as compared to the electric field strength of 0.1 V/Å at 500 GHz. A change of 75% in the physical phase of 3C‐SiC structure with respect to the initial structure was confirmed by the distorted density distribution profile. [Display omitted] •Microwave heating of bulk 3C‐SiC have been studied using MD simulations.•Rapid microwave heating was observed at 0.5 V/Å and 500 GHz.•Increase in diffusion coefficient changes physical phase of the 3C‐SiC system.•Physical state of the system changed by 75% relative to initial structure with in 5 ns.