An ergodic configurational thermostat using selective control of higher order temperatures.

摘要: The conventional Nose-Hoover type deterministic thermostat scheme for controlling temperature by configurational variables (Braga-Travis (BT) thermostat) is non-ergodic systems with a few degrees of freedom. While the original kinetic ergodicity has been achieved higher order moments energy, issues nonergodicity BT persists. In this paper, we introduce two new measures (second and third order) based on generalized temperature-curvature relationship obtain family thermostatting schemes selectively (and simultaneously) different orders temperatures through pseudo-friction terms. ergodic characteristics proposed thermostats are tested using single harmonic oscillator statistical (normality joint distributions at Poincare sections) as well dynamical tests (difference minimum maximum largest Lyapunov exp...