[lammps-users] How to apply energy to an atom?

Dear all,

Are there any ways to apply energy to an atom with LAMMPS? E.g., In a MD simulation of sputtering process, an original incident energy is usually required for the incident atom. And I want to know whether applying a velocity to an atom means applying that atom an energy?

Best regards,
Damien

2008-06-16

Dear all,

Are there any ways to apply energy to an atom with LAMMPS? E.g., In
a MD simulation of sputtering process, an original incident energy
is usually required for the incident atom. And I want to know
whether applying a velocity to an atom means applying that atom an
energy?

from elementary classical mechanics: E = 1/2 * m * v^2
of course there are other than kinetic energies that can
be transferred to an atom (e.g. electronic excitation), but
you do not model this in a classical MD...

axel.

You can assign a velocity to an atom(s) via the velocity
command. That is the same as assigning kinetic energy.

Steve