Abstract:

Carbon atoms are ubiquitous in the interstellar medium and are believed to play a crucial role in many astrochemical processes. One of the key processes that affect the behavior of carbon atoms is their diffusion on interstellar ice grains. Understanding the mechanisms and rates of carbon atom diffusion is essential for unraveling the chemical evolution of interstellar ices and the formation of complex organic molecules in space. In this study, we investigate the diffusion of carbon atoms on various types of interstellar ice grains using state-of-the-art computational methods. We employ density functional theory (DFT) calculations and molecular dynamics simulations to determine the diffusion barriers, diffusion pathways, and diffusion coefficients of carbon atoms on different ice surfaces. Our results provide insights into the factors that influence carbon atom diffusion and its implications for the chemistry of interstellar ice mantles. This study enhances our understanding of the behavior of carbon atoms in the harsh conditions of interstellar environments and contributes to the broader field of astrochemistry.