A deterministic thermostat for controlling temperature using all degrees of freedom

摘要: We propose a new thermostat that uses all the phase space variables for controlling temperature and thus differs from existing thermostats control either kinetic (e.g., Nose Hoover) or configurational Braga Travis) degrees of freedom. Our is special case set equations proposed by Kusnezov et al. [Ann. Phys. 204, 155 (1990)] derived using extended system method. show it generates canonical phase-space distribution. The performance compared with those Nose-Hoover Braga-Travis (i) in thermal equilibrium, (ii) subjected to sudden changes, (iii) steady state non-equilibrium under conduction. observe three perform similarly systems equilibrium. However, our performs best conduction problem generating consistent profile across length. expect this be useful other scenarios as well.