[lammps-users] modeling diamond indentation of copper

Thanks for your response Steve,

From the visualization there is no overlap... So I assume the lack of boundary conditions might be the problem. Is there a way to set further boundary conditions without interfering with the indentation?

I tried using setforce on the outer layers of the copper block, but I see within this the copper still wants to move outwards... Could you suggest a fix or boundary condition command of some sort?

thanks again,
tim

Why do they want to expand. Are they not at the right lattice
constant?

Steve