Be-B Thin Film Growth: A Deep Potential and Molecular Dynamics Study

Abstract Beryllium-boron (BeB) thin films are important target materials in Inertial Confinement Fusion (ICF) experiments. In this work, molecular dynamics simulations combined with deep learning methods were employed to investigate the deposition behavior and structural evolution of BeB films. The effects of incident angle, incident energy, and substrate temperature on the film growth process were systematically studied. A deep learning approach was used to develop interaction potentials based on Be, B elements, and known BeB crystalline phases, enabling an accurate description of cluster growth during deposition. The simulation results indicate that appropriate control of the incident parameters and substrate temperature can significantly improve the surface quality of the films. These findings may offer preliminary insights into optimizing experimental conditions for the fabrication of high-quality BeB thin films.