[lammps-users] heat flux in non-equilibrium

Dear lammps users,

My problem is how could I compute the heat flux in non-equilibrium md system, which with nose-hoover thermostats at the hot and cold ends.

In non-equilibrium steady, how could I compute the energy from thermostat added/subtracted into the system. Which commands are involved?

About the discussion of heat/flux days ago in the following, I don’t konw will that new approach—energy/virial per atom be used in NEMD system?

If you heat one end of system with defined speed and cool another end
with the same speed the heat flux will be heating in the unit of time
divided by two, because the heat goes to the left and to the right
ends and divided by cross section.

2009/10/8 魏宁 <[email protected]>: