Reaction-diffusion modeling of hydrogen transport and surface effects in application to single-crystalline Be

A model based on a reaction-diffusion approach is used to simulate thermal desorption experiments performed with ion beam exposed single-crystalline beryllium. The model describes deuterium retention, migration and release, relating microscopic material properties to desorption spectra observed in experiments. Multiple trapping at single vacancies, hydrogen accumulation on the surface and surface coverage dependent desorption are accounted for in the model, showing good qualitative agreement with experimental observations.