A Thermostat for Molecular Dynamics of Complex Fluids

Michael P Allen (1) , Friederike Schmid (2)

1 Department of Physics [Coventry]
2 Fakultät für Physik

A thermostat of the Nosé-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should make it suitable for use in Dissipative Particle Dynamics simulations, as well as nonequilibrium molecular dynamics simulations.

Mots clés: Physical Sciences

Michael P Allen, Friederike Schmid. A Thermostat for Molecular Dynamics of Complex Fluids. Molecular Simulation, 2009, 33 (01-02), pp.21-26. ⟨10.1080/08927020601052856⟩. ⟨hal-00526210⟩