[lammps-users] Can lammps do such simulation?

Dear all,
I want to simulate how the iron damage under high-energy hydrogen environment: a certain amount of hydrogen(N<1000) at a certain speed shooting at the iron substrate, and then they evolve in the iron. Can lammps do such simulation? If so, how to define the external hydrogen atoms?
Any suggestion and advice will be highly appreciated.
Sincerely,
Maosheng

Hi Maosheng,

This simulation is doable as long as you can find the potential between iron and hydrogen atoms. As for defining the external hydrogen atoms, you can refer any deposition method in the literature. I believe there are several conversation about deposition using LAMMPS in this mail list. You can trace them.

Good luck!

Xiaopeng

Hi Maosheng,

This simulation is doable as long as you can find the potential between iron
and hydrogen atoms. As for defining the external hydrogen atoms, you can
refer any deposition method in the literature. I believe there are several
conversation about deposition using LAMMPS in this mail list. You can trace
them.

indeed, fix deposit is what can be used to add the hydrogens
_and_ set their initial velocity.

axel.