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MM: Fachverband Metall- und Materialphysik

MM 34: Computational Materials Modelling - Matter-Particle Interaction

MM 34.3: Vortrag

Mittwoch, 18. März 2020, 10:45–11:00, IFW D

Improved Stopping in the Binary Collision Approximation — •Alrik Stegmaier and Hans Hofsäss — 2. Physikalisches Institut, Universität Göttingen

Stopping of ions in materials is an important process in implantation physics, radiation safety, nuclear medicine, sputtering, proton beam writing and many more. As such, precise simulations of stopping are required, where typically a balance between accuracy and speed of the simulation is struck.

Due to the simplicity and relative accuracy, the binary collision approximation (BCA) is one of the most important models used for stopping today. In BCA stopping is treated as a series two body collisions.

Here we present an improved binary collision approximation model for ion stopping that is based on velocity dependent interatomic potentials. Both a new model for stopping of ions in an inhomogeneous electron gas and an approximate bond breaking/relaxation model for electronic stopping allow predictions over a large projectile velocity range and target structure.

The free parameters of the model are almost entirely constrained by density functional theory simulations and the properties of the (in-)homogeneous electron gas.