Dear LAMMPS users,
I would like to create damage cascade. I have read in my data via a data file, (amorphous Silica). I would like to impart energy to a PKA but out of all of the examples that I have seen, the PKA is defined by a region command with requires a lattice command. If I am reading in amorphous silica, how can I avoid this issue since there is no lattice command for this?
Is there another way to give an atom an energy to simulate radiation damage?
Ben
Dear LAMMPS users,
I would like to create damage cascade. I have read in my data via a data
file, (amorphous Silica). I would like to impart energy to a PKA but out of
btw: it is *very* annoying when people use acronyms that are specific
to a specific area of research when discussing things in a forum that
is not at all specific to that area of research.
all of the examples that I have seen, the PKA is defined by a region command
with requires a lattice command. If I am reading in amorphous silica, how
region does *not* require a lattice command. RT?M!
can I avoid this issue since there is no lattice command for this?
this is irrelevant. the lattice command does nothing but define a set
of points in space and scaling factors in x, y, and z that make it
convenient to define regions in multiples of unit cells of a given
lattice. again, some more RT?M-ing is required.
in any case, if you are using a reasonably recent version of LAMMPS,
the lattice scaling factors should be set up to 1.0 by default, so
there should be no problem at all leaving out the "units box" flags to
override default of "units lattice".
Is there another way to give an atom an energy to simulate radiation damage?
what has one to do with the other? what about the velocity command?
not good enough?
axel.
all of the examples that I have seen, the PKA is defined by a region command
with requires a lattice command. If I am reading in amorphous silica, how
region does not require a lattice command. RT?M!
See the units option of the region command.
Steve