Hi,
I have a Nanotube whose two ends are clamped. After equilibration, I have applied sinusoidal displacement in two ends by fix move/wiggle command under fix/nve. I have no problem running the system. I have some thought and one question; although more of a general question rather than LAMMPS question.
As this is an isolated system, driven oscillation should cause an energy increase of the system. Or in another way, some energy dissipation will occur in the system and without adding new energy, the amplitude of the oscillation would decrease; so maintaining the same oscillation required additional energy. Now, this additional energy may increase the temperature of the system, so the kinetic energy. This temperature and kinetic energy increase are observed in my system. But with kinetic energy, potential energy also increases. I think, over time averaging, the added energy will be equipartitioned between two energy. But, what is the physical meaning of increasing potential energy here?
Thanks.
Hi,
I have a Nanotube whose two ends are clamped. After equilibration, I have applied sinusoidal displacement in two ends by fix move/wiggle command under fix/nve. I have no problem running the system. I have some thought and one question; although more of a general question rather than LAMMPS question.
As this is an isolated system, driven oscillation should cause an energy increase of the system. Or in another way, some energy dissipation will occur in the system and without adding new energy, the amplitude of the oscillation would decrease; so maintaining the same oscillation required additional energy. Now, this additional energy may increase the temperature of the system, so the kinetic energy. This temperature and kinetic energy increase are observed in my system. But with kinetic energy, potential energy also increases. I think, over time averaging, the added energy will be equipartitioned between two energy. But, what is the physical meaning of increasing potential energy here?
it is called “equilibration”.