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Extension of the simulation code ACAT to treat real atomic positions

2010/05/19 by Arimichi Takayama, Seiki Saito, Seiki Saitô +9
Engineering · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Ion-surface interactions and analysis #Materials Science (cond-mat.mtrl-sci) #Metal and Thin Film Mechanics #cond-mat.mtrl-sci #physics.comp-ph

paper · pdf · doi:10.48550/arxiv.1005.3344

arxiv created 2010/05/19 · openalex publication_date 2010/05/19 · arxiv updated 2010/05/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We have investigated plasma-surface interactions with molecular dynamics (MD) simulations. It, however, is high cost computation and is limited to simulations for materials of nanometer order. In order to overcome the limitation, a complementary model based on binary collision approximation (BCA) can be established. We employed a BCA-based simulation code ACAT and extended to handle any structure involving crystalline and amorphous. The extended code, named "ACaT", stores all positions of projectile and target atoms and velocities of recoil atoms, so it can be combined with the MD code. It also holds the potential to reproduce channeling phenomena. Thus it is expected to be useful for evaluation of channeling effects.

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