My question is specifically about a 2010 manuscript entitled "Molecular Dynamics Simulations of Heat Conduction in Nanostructures: Effect of Heat Bath". They suggest values for the free parameters in both the Langevin and Nose-Hoover thermostats. However, it is unclear what the units are. So my specific questions are:
- what are the units for the free parameters, tau and lambda? How do each of these parameters relate to Tdamp in LAMMPS?
- is the response time, tau, equivalent to the damping parameter for the Nose-Hoover thermostat in fix NVT in LAMMPS?
http://lammps.sandia.gov/doc/ fix_nh.html
- Is the dissipation rate, equivalent to the inverse of the damping parameter for Langevin thermostat in LAMMPS?
http://lammps.sandia.gov/doc/ fix_langevin.html
Thank you so much!
Tara