Why the system becomes chaotic after equilibrium?


Recently I have tried to make a simulation of a sphere impacting on a plate, but I failed to get a satisfactory result. Before applying a velocity on the sphere, the system was first minimized using the conjugate gradient method, and then thermalized to a temperature of 300K and equilibrated at the temperature. My question is that why the system becomes chaotic after equilibrium. The attached file is my input script in lammps.

I am waiting for your advice.

Thank you very much.

Ju Yuan-yuan,

Beijing Institute of Technology, ,

in.R6-20-equil (1.11 KB)

What does “chaotic” mean?

No one is likely to run your scripts for you and examine
the results. You have to ask a more specific Q

about what you are puzzled about.


Your sphere is very close, if not connected, to the plate through
periodic boundary along X. You might want to add in some vacuum or
simply change the boundary condition.