Hi,
I’m a new learner of molecular dynamics simulation, and recently I want to simulate an ion-implantation process. I want to obtain the radiation-induced defects distribution, and defect concentration vs time or the collision cascade process, and finally the thermal and mechanical properties changes due to the implantation. I wonder whether LAMMPS can handle such problem.
Any help or advice would be appreciated! Thank you in advance!
Sincerely yours
Guodaxi
LAMMPS can model an ion cascading through a solid,
if you use a small enough timestep when the ion
is high energy. If you want to shoot a million
ions into a substrate one after another to get defect profiles, MD is
probably not the method of choice. People use
MCarlo for that using a continuum view of the substrate.
I.e. take a step length, model a collision and scatter, take
another random step, etc, binning energy and defects
as you go.
Steve
2010/11/4 guodaxi <[email protected]...>: