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We investigate the connection between recent results in quantum thermodynamics and fluctuation relations by adopting a fully quantum mechanical description of thermodynamics. By including a work system whose energy is allowed to fluctuate,…
The second law of thermodynamics states that work cannot be extracted from thermal equilibrium, whose quantum formulation is known as complete passivity; A state is called completely passive if work cannot be extracted from any number of…
We assume that markovian dynamics on a finite graph enjoys a gauge symmetry under local scalings of the probability density, derive the transformation law for the transition rates and interpret the thermodynamic force as a gauge potential.…
We present a new approach to analyze homogeneous nucleation based on non-equilibrium thermodynamics. The starting point is the formulation of a Gibbs equation for the variations of the entropy of the system, whose state is characterized by…
Using a thermodynamic integration scheme, we compute the free energy cost per unit area, $\gamma$, of forming an interface between a crystal and a frozen structured wall, formed by particles frozen into the same equilibrium structure as the…
A rigorous description of the equilibrium thermodynamic properties of an infinite system of interacting $\nu$-dimensional quantum anharmonic oscillators is given. The oscillators are indexed by the elements of a countable set…
To calculate the temperature at which a first-order cosmological phase transition occurs, one must calculate $F_c(T)$, the free energy of a critical bubble configuration. $F_c(T)$ is often approximated by the classical energy plus an…
The second Tisza-Callen postulate of equilibrium thermodynamics states that for any system exists a function of the system's extensive parameters, called entropy, defined for all equilibrium states and having the property that the values…
Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and…
Quantitative evaluations of the free energy of materials must take into account thermal and zero-point energy fluctuations. While these effects can easily be estimated within a harmonic approximation, corrections arising from the anharmonic…
Statistical equilibrium configurations are important in the physics of macroscopic systems with a large number of constituent degrees of freedom. They are expected to be crucial also in discrete quantum gravity, where dynamical spacetime…
We perform a numerical investigation of the thermodynamics during the collapse of a charged (complex) scalar field to a Reissner-Nordstr\"om (RN) black hole in isotropic coordinates. Numerical work on gravitational collapse in isotropic…
We use first-principles techniques to re-examine the suggestion that transitions seen in high-P experiments on Mo are solid-solid transitions from the bcc structure to either the fcc or hcp structures. We confirm that in the harmonic…
We show how to construct non-equilibrium thermodynamics for systems too small to be considered thermodynamically in a traditional sense. Through the use of a non-equilibrium ensemble of many replicas of the system which can be viewed as a…
Information-theoretic approaches provide a promising avenue for extending the laws of thermodynamics to the nanoscale. Here, we provide a general fundamental lower limit, valid for systems with an arbitrary Hamiltonian and in contact with…
Accurate prediction of thermodynamic properties requires an extremely accurate representation of the free energy surface. Requirements are twofold -- first, the inclusion of the relevant finite-temperature mechanisms, and second, a dense…
Fluctuation relations allow for the computation of equilibrium properties, like free energy, from an ensemble of non-equilibrium dynamics simulations. Computing them for quantum systems, however, can be difficult, as performing dynamic…
The Gibbs state is widely taken to be the equilibrium state of a system in contact with an environment at temperature $T$. However, non-negligible interactions between system and environment can give rise to an altered state. Here we derive…
The solid-liquid interface free energy \gamma sl is a key parameter controlling nucleation and growth during solidification and other phenomena. There are intrinsic difficulties in obtaining accurate experimental values, and the previous…
This paper discusses a classical simulation to compute the partition function (or free energy) of generic one-dimensional quantum many-body systems. Many numerical methods have previously been developed to approximately solve…