Related papers: Maximum entropy distributions of wavefunctions at …
The standard formulation of thermostatistics, being based on the Boltzmann-Gibbs distribution and logarithmic Shannon entropy, describes idealized uncorrelated systems with extensive energies and short-range interactions. In this letter, we…
Descriptions of molecular systems usually refer to two distinct theoretical frameworks. On the one hand the quantum pure state, i.e. the wavefunction, of an isolated system which is determined to calculate molecular properties and to…
The unitary dynamics of isolated quantum systems does not allow a pure state to thermalize. Because of that, if an isolated quantum system equilibrates, it will do so to the predictions of the so-called "diagonal ensemble" $\rho_{DE}$.…
In ordinary Boltzmann-Gibbs thermostatistics, the relative entropy expression plays the role of generalized free energy, providing the difference between the off-equilibrium and equilibrium free energy terms associated with Boltzmann-Gibbs…
Depending on the exact experimental conditions, the thermodynamic properties of physical systems can be related to one or more thermostatistical ensembles. Here, we survey the notion of thermodynamic temperature in different statistical…
From a new rigorous formulation of the general axiomatic foundations of thermodynamics we derive an operational definition of entropy that responds to the emergent need in many technological frameworks to understand and deploy thermodynamic…
The fundamental assumption of statistical mechanics is that the system is equally likely in any of the accessible microstates. Based on this assumption, the Boltzmann distribution is derived and the full theory of statistical thermodynamics…
It is known that temperature estimates of macroscopic systems in equilibrium are most precise when their energy fluctuations are large. However, for nanoscale systems deviations from standard thermodynamics arise due to their interactions…
The selection of an equilibrium state by maximising the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of…
The mean-field thermodynamic limit is studied for a class of isolated Newtonian N-body systems whose Hamiltonian admits several invariants of motion. It is shown that the macrostates of individual members of a statistical equilibrium…
Entropy is the distinguishing and most important concept of our efforts to understand and regularize our observations of a very large class of natural phenomena, and yet, it is one of the most contentious concepts of physics. In this…
For studying the thermodynamic properties of systems using statistical mechanics we propose an ensemble that lies in between the familiar canonical and microcanonical ensembles. From a comparative study of these ensembles we conclude that…
The concept of entropy is fundamental to thermalization, yet appears at odds with basic principles in quantum mechanics. Statistical mechanics relies on the maximization of entropy for a system at thermal equilibrium. However, an isolated…
Ensemble inequivalence occurs when a systems thermodynamic properties vary depending on the statistical ensemble used to describe it. This phenomenon is known to happen in systems with long-range interactions and has been observed in many…
Relaxation dynamics of complex quantum systems with strong interactions towards the steady state is a fundamental problem in statistical mechanics. The steady state of subsystems weakly interacting with their environment is described by the…
We present a maximum entropy approach to analyze the internal dynamics of a small system in contact with a large bath e.g. a solute-solvent system. For the small solute, the fluctuations around the mean values of observables are not…
The dynamics of quantum entanglement plays a central role in explaining the emergence of thermal equilibrium in isolated many-body systems. However, entanglement is notoriously hard to measure. Recent works have introduced a notion of…
The canonical ensemble describes an open system in equilibrium with a heat bath of fixed temperature. The probability distribution of such a system, the Boltzmann distribution, is derived from the uniform probability distribution of the…
Classical thermodynamics treats temperature as a state variable characterizing systems in equilibrium with idealized infinite reservoirs. We argue that this framing, while computationally exact, obscures an essential physical reality: any…
We introduce axiomatically a complete thermodynamic formalism for a single macromolecule, either with or without detailed balance, in an isothermal ambient fluid based on its stochastic dynamics. With detailed balance, the novel theory…