Hi lammps users
I want to know that core-shell model can be possible in LAMMPS?!
LAMMPS has the right potential (Coulomb +
Buckingham), but I haven't seen any documentation where this can be
used for the polarizable core/shell, while also accounting for the
harmonic potential that governs interactions between each core and
shell.
E(core-shell)=1/2*K*r^2
K[ev.A^-2]
r[A]
how can i generate a new potential in lammps?
who has experienced with ( shell model ) potential?
please give me some point
Thnx a lot
Hi lammps users
I want to know that core-shell model can be possible in LAMMPS?!
LAMMPS has the right potential (Coulomb +
Buckingham), but I haven't seen any documentation where this can be
used for the polarizable core/shell, while also accounting for the
harmonic potential that governs interactions between each core and
shell.
E(core-shell)=1/2*K*r^2
K[ev.A^-2]
r[A]
how can i generate a new potential in lammps?
who has experienced with ( shell model ) potential?
please give me some point
it is always a good idea to start by reading the documentation:
I think I already answered your Q in another thread.
Several people have worked on a core/shell model for
LAMMPS, but no one has sent us code to release. So
please search the mail list for core/shell and send them
an email.