Dear all,
In my simulation i need to take spherical micron sized particles which are also charged. But, if i take " atom_style charge " , i cannot set diameter of the particles and with " atom_style sphere " i cannot assign charge to the particles. Please show me the correct procedure.
Regards,
Hirak
you can use atom_style hybrid charge sphere
but setting the per-atom properties is only part of the problem, you
will also have to figure out how to compute interactions for your
model properly and how to do time integration.
axel.
I didn’t understand the latter part. Can you please explain ?
I didn't understand the latter part. Can you please explain ?
to give an example, if you use a pair style like lj/cut, neither
setting a radius nor setting a charge has any impact on the
interactions, since the pair style does not use those properties. if
you use pair style lj/cut/coul/cut instead, the charge information
will be used (the radius is still ignored), but the charge-charge
interaction is the one between point charges, so the question is: are
point charges a good representation for your model? wouldn't it be
more like a "cloud" of point charges instead of a single point? if you
look at pair style colloid you have a model representing assemblies of
lennard-jones particles, but for those the size information is
conveyed through the pair_coeff statements, not per-atom properties.
so the question is: what is the kind of potential function that would
be representing the physics of your model? and does LAMMPS have a
suitable pair style for it?
i don't know enough about your model, so I cannot provide an answer to
that, but based on previous interactions with people asking similar
questions as you, it seemed advised to make the point before you spend
a lot of time on wondering why the settings you define in the input
have no effect or the simulation is not behaving as expected.
axel.
Thanks for the clarification.