The Nose–Hoover thermostat
D.J. Evans, Brad Lee Holian
Abstract
We derive equilibrium fluctuation expressions for the linear response of many body systems thermostated by the Nose–Hoover thermostat. We show that in the thermodynamic limit this response is the same as that of the corresponding Gaussian isothermal system. Numerical comparisons for shear flow show however that the Gaussian methods provide a significantly more efficient means of calculating the shear viscosity coefficient.
Topics & Concepts
ThermostatGaussianIsothermal processShear (geology)Shear viscosityLimit (mathematics)MechanicsStatistical physicsShear flowThermodynamicsMathematicsPhysicsViscosityMaterials scienceMathematical analysisQuantum mechanicsComposite materialAdvanced Thermodynamics and Statistical MechanicsPhase Equilibria and ThermodynamicsMaterial Dynamics and Properties