Excuse me, I simulate the fluid cooling between two plates ,the temperature of upper and down plates is controled by "fix langevin"command.All groups use “fix nve” to update position and velocity for atoms.However,both of the kenetic and potential energy of fluid scales down gradually.The "fix nve"command tells us the energy is constant, so why the energy of fluid decreases after that the configuration comes to equilibrium?what is the meaning of “e” in nve in lammps? Thank you! --Youwei
Excuse me, I simulate the fluid cooling between two plates ,the
temperature of upper and down plates is controled by "fix
langevin"command.All groups use "fix nve" to update position and velocity
for atoms.However,both of the kenetic and potential energy of fluid scales
down gradually.The "fix nve"command tells us the energy is constant, so why
no it doesn't.
the energy of fluid decreases after that the configuration comes to
equilibrium?what is the meaning of "e" in nve in lammps? Thank you!
it means that no energy is added or removed by this fix.
axel.
So "fix nve"in this case only provides the time integration but doesn't control energy when fluid is in contact with the cooling plates?
So "fix nve"in this case only provides the time integration but doesn't control energy when fluid is in contact with the cooling plates?
yes. that is what happens in an NVE ensemble. there is no "control".
axel.