Hi Lammps users,
I'm running MD simulations to predict the mechanical stability of
metalic nanowires under flexural bending i.e the cantilever beam
problem. The nanowire is subject to the effect of a end load "F" via
the fix "addforce" command e.g fix kick flow addforce 1.0 0.0 0.0..
After running the simulation a certain number of timesteps I measure
the deflection (delta) . I would expect the nanowire to remain static
after a certain amount of deflection, but if i run the simulation more
time steps, the nanowire continues to deflect without stopping. I
need to calculate the flexural moment ( force/deflection) . I dont
think the calculation to be something trivial like measuring the
deflection (Delta) for a given force (F) and plot F vs Delta and
taking the slope to calculate the flexural moment.
It would be greatly appreciated any suggestion or ideas ?.