Dear All
I have core-shell structure made of Materials “A” and “B” with their corresponding lattice parameters “a” and “b”. My aim is to relax the system and find the equilibrium structure then to calculate the strain distribution inside the core-shell system. My difficulty is, how to obtain the strain distributions from the initial and equilibrium structure of the atoms. Is there any module which can do this in LAMMPS?
Regards,
Z
Dear All
I have core-shell structure made of Materials "A" and "B" with
their corresponding lattice parameters "a" and "b". My aim is to relax
the system and find the equilibrium structure then to calculate the strain
distribution inside the core-shell system. My difficulty is, how to obtain
the strain distributions from the initial and equilibrium structure of the
atoms. Is there any module which can do this in LAMMPS?
all the available "modules" in lammps are listed on this page:
http://lammps.sandia.gov/doc/Section_commands.html#cmd_5
it is not clear what you mean by "distribution" in this context.
histogram? profile? color-coded image? totals? per atom?
axel.
There is a compute displace/atom that will tell you
how far each atom has moved since time=0.0, at
any future time. If you write that quantitty to a dump
file you can visualize on it (e.g. color of atoms).
Steve