Dear LAMMPS users,
I am new to Molecular Dynamics simulation. Many processes are unrealistic in MD simulations. For e.g. I have observed that during heating or cooling of a specimen, large heating/cooling rates are applied (10^12 K/s) and still considered as slow cooling. Why?
Kindly explain.
Typically b/c the MD timsteps is short, e.g. 1 fs,
and it takes too long to run simulations with smaller
heating/cooling rates.
You can estimate this yourself as a back-of-the-envelope
calculation. Use 1 us of CPU time per atom per timestep
as a good single-CPU estimate for the cost of a LJ simulation.
Steve