Dear LAMMPS Users,
I have computed msd of each component in my simulation system.
I plotted msd vs. time on log-log scale but it showed decreasing over time as follows.
If you guys experience this, please let me know the problem is and how to correct it.
Thanks
[cid:[email protected]...]
Best regards,
Changjae Kim
impossible to say and really not so much a LAMMPS issue as a question of whether you are applying LAMMPS correctly and plotting and interpreting the resulting data correctly.
that is best verified by reproducing known data. there are examples bundled with LAMMPS. run them and check out whether you can get the plot that you should from them.
once you got that sorted out, you can modify those example(s) to some very simple system, where you know the result from other simulations in the literature.
typically at one of these steps you will either realize what went wrong.
axel.
MSD plots are normally plotted starting at time 0,
where the MSD value is 0. What does the MSD do
from time 0 to time 1 in your log/log plot ?
The only way the MSD can decrease with increasing
time is if the system is returning (more closely)
to its initial time=0 state.
Steve