Hi!
I want to ask how to set up the gas model in lammps. Now I have a copper lattice of size 3×3×30nm and I want to put it in the argon atmosphere and at the same time the argon can get out from one boundary and at the same time enter the simulation box from another boundary(like periodic boundary condition). I have been thinking for several days and fail to figure it. Thank you if anyone could give me some hints or suggestions.
Hi!
I want to ask how to set up the gas model in lammps. Now I have a copper
just like any other simulation model. you place your
atoms at the right density into the right positions, figure
out which potentials to use and assign parameters.
lattice of size 3×3×30nm and I want to put it in the argon atmosphere and at
the same time the argon can get out from one boundary and at the same time
enter the simulation box from another boundary(like periodic boundary
condition). I have been thinking for several days and fail to figure it.
Thank you if anyone could give me some hints or suggestions.
before you continue to think until your head hurts,
can you please do some simple estimate that is
usually asked of students in freshman chemistry classes?
assume that you have an ideal gas. can you please
compute how many argon atoms would be present
in your volume (you didn't say anything about the
amount of gas volume in your sample). once you
have that number, you may find an (unexpected)
answer to your question all by yourself.
cheers,
axel.