Extension of the simulation code ACAT to treat real atomic positions
Materials Science
2010-05-20 v1 Computational Physics
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.
Cite
@article{arxiv.1005.3344,
title = {Extension of the simulation code ACAT to treat real atomic positions},
author = {Arimichi Takayama and Seiki Saito and Atsushi M. Ito and Takahiro Kenmotsu and Hiroaki Nakamura},
journal= {arXiv preprint arXiv:1005.3344},
year = {2010}
}