Consistent description of fluctuations requires negative temperatures

preprint2015arXivOpen access

Abstract

We review two definitions of temperature in statistical mechanics, TBT_B and TGT_G, corresponding to two possible definitions of entropy, SBS_B and SGS_G, known as surface and volume entropy respectively. We restrict our attention to a class of systems with bounded energy and such that the second derivative of SBS_B with respect to energy is always negative: the second request is quite natural and holds in systems of obvious relevance, i.e. with a number NN of degrees of freedom sufficiently large (examples are shown where N∼100N \sim 100 is sufficient) and without long-range interactions. We first discuss the basic role of TBT_B, even when negative, as the parameter describing fluctuations of observables in a sub-system. Then, we focus on how TBT_B can be measured dynamically, i.e. averaging over a single long experimental trajectory. On the contrary, the same approach cannot be used in a generic system for TGT_G, since the equipartition theorem may be spoiled by boundary effects due to the limited energy. These general results are substantiated by the numerical study of a Hamiltonian model of interacting rotators with bounded kinetic energy. The numerical results confirm that the kind of configurational order realized in the regions at small SBS_B, or equivalently at small ∣TB∣|T_B|, depends on the sign of TBT_B.

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