| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1680495 | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms | 2015 | 5 Pages |
Abstract
We present a new Molecular Dynamics (MD) scheme for the simulation of cascades: Cell Molecular Dynamics for Cascades (CMDC). It is based on the decomposition of the material in nanometric cells which are added and removed on the fly from the MD simulation and the dynamics of which are treated with a local time step. An acceleration of several orders of magnitude is observed compared to standard calculation. The capacity of the method is demonstrated on the test cases of 60 keV He implantation and self-cascades in iron up to 1.8 MeV.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Surfaces, Coatings and Films
Authors
Jean-Paul Crocombette, Thomas Jourdan,