fcc 111

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1

Hi Guys

I wanna simulate a nano channel with fcc(111) planes for wall.density of wall and fluid particles are different.
What should I type for lattice command to have wall planes of fcc (111)?

Thanks a lot

2

As an alternative to creating the wall in lammps you can find a perl
script to generate a data file with (111) fcc walls on the user
scripts page of lammps website.

Best,
Laurent

3

Hi Guys

I wanna simulate a nano channel with fcc(111) planes for wall.density of
wall and fluid particles are different.
What should I type for lattice command to have wall planes of fcc (111)?

you can use the lattice command multiple times
and thus reset it to your needs. the lattice command
has no direct impact on the simulation, it simply
serves as some kind of "ruler" or "mask" that tells
LAMMPS positions that are commensurate
with a specific lattice. mind you, that when using
the lattice command multiple times, it is *your*
responsibility to generate coordinates (and regions)
that are commensurate with each other, or else
your simulations will not work (well).

cheers,
    axel.