Conjugate pairing of Lyapunov exponents for isokinetic shear flow algorithms.

Abstract

Previous numerical calculations of the Lyapunov exponents for the eight particle isokinetic SLLOD algorithm for shear viscosity are extended to higher shear rates and a more careful error analysis presented. These calculations imply that within error bars, the conjugate pairing rule is satisfied for this system. The shift in the unpaired exponent appears to be unconnected with the shift in the other conjugate pairs. This distinguishes one degree of freedom from all others in the system.