Related papers: Microcanonical characterization of first-order pha…
To develop, calibrate and/or validate continuum models from experimental or numerical data, micro-macro transition methods are required. These methods are used to obtain the continuum fields (such as density, momentum, stress) from the…
Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…
A first order phase transition is found in a model which was introduced originally by Murthy and Shankar [Phys. Rev. B 60, 6517 (1999)] to describe systems of generalised exclusion statistics. I characterise the phase transition in the…
In the present work, we discuss how the functional form of thermodynamic observables can be deduced from the geometric properties of subsets of phase space. The geometric quantities taken into account are mainly extrinsic curvatures of the…
The microcanonical ensemble is in important physical situations different from the canonical one even in the thermodynamic limit. In contrast to the canonical ensemble it does not suppress spatially inhomogeneous configurations like phase…
The simplified model of first-order transition in a media with frozen long-range transition-temperature disorder is considered. It exhibits the smearing of the transition due to appearance of the intermediate inhomogeneous phase with…
Nonequilibrium phase transitions can be typified in a similar way to equilibrium systems, for instance, by the use of the order parameter. However, this characterization hides the irreversible character of the dynamics as well as its…
The dynamics of phase transitions plays a crucial r\^ole in the so-called interface between high energy particle physics and cosmology. Many of the interesting results generated during the last fifteen years or so rely on simplified…
Semiclassical instanton theory is a form of quantum transition-state theory which can be applied to computing thermal reaction rates for complex molecular systems including quantum tunneling effects. There have been a number of attempts to…
The technological performances of metallic compounds are largely influenced by atomic ordering. Although there is a general consensus that successful theories of metallic systems should account for the quantum nature of the electronic glue,…
The usual formulation of thermodynamics is based on the additivity of macroscopic systems. However, there are numerous examples of macroscopic systems that are not additive, due to the long-range character of the interaction among the…
We study the Hamiltonian Mean Field (HMF) model, a system of $N$ fully coupled particles, in the microcanonical ensemble. We use the previously obtained free energy in the canonical ensemble to derive entropy as a function of energy, using…
The properties of excited nuclear matter and the quest for a phase transition which is expected to exist in this system are the subject of intensive investigations. High energy nuclear collisions between finite nuclei which lead to matter…
A new microcanonical equilibrium state is introduced for quantum systems with finite-dimensional state spaces. Equilibrium is characterised by a uniform distribution on a level surface of the expectation value of the Hamiltonian. The…
Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is…
The notion of negative absolute temperature emerges naturally from Boltzmann's definition of "surface" microcanonical entropy in isolated systems with a bounded energy density. Recently, the well-posedness of such construct has been…
Engineering long-range interactions in experimental platforms has been achieved with great success in a large variety of quantum systems in recent years. Inspired by this progress, we propose a generalization of the classical Hamiltonian…
We propose a definition of microcanonical and canonical statistical ensembles based on the concept of density of states. This definition applies both to the classical and the quantum case. For the microcanonical case this allows for a…
We study the thermodynamics of the one-dimensional extended Hubbard model at half-filling using a density-matrix renormalization group method applied to transfer matrices. We show that the various phase transitions in this system can be…
Conventional thermo-statistics address infinite homogeneous systems within the canonical ensemble. However, some 170 years ago the original motivation of thermodynamics was the description of steam engines, i.e. boiling water. Its essential…