相关论文: Microcanonical characterization of first-order pha…

In this work, we develop a generalisation of the thermal entropy to complex inverse temperatures, which we call the thermal pseudo-entropy. We show that this quantity represents the pseudo-entropy of the transition matrix between…

We study the capacity of entanglement in the microcanonical ensemble for an effectively additive bipartite system. Using typicality and the block structure of the microcanonical reduced state, we show that in the thermodynamic regime the…

Heat can flow from cold to hot at any phase separation. Therefore Lynden-Bell's gravo-thermal catastrophe must be reconsidered. The original objects of Thermodynamics, the separation of phases at first order phase transitions, like boiling…

Equilibrium phase transitions may be defined as nonanalytic points of thermodynamic functions, e.g., of the canonical free energy. Given a certain physical system, it is of interest to understand which properties of the system account for…

Soft condensed matter structures often challenge us with complex many-body phenomena governed by collective modes spanning wide spatial and temporal domains. In order to successfully tackle such problems mesoscopic coarse-grained (CG)…

According to the recently obtained thermodynamic uncertainty relation, the microcanonical regions with a negative heat capacity can be accessed within a canonical-like description by using a thermostat with a fluctuating inverse…

Thermodynamics of clusterized matter is studied in the framework of statistical models with non-interacting cluster degrees of freedom. At variance with the analytical Fisher model, exact Metropolis simulation results indicate that the…

We provide a stochastic thermodynamic description across scales for $N$ identical units with all-to-all interactions that are driven away from equilibrium by different reservoirs and external forces. We start at the microscopic level with…

We present the first detailed numerical study in three dimensions of a first-order phase transition that remains first-order in the presence of quenched disorder (specifically, the ferromagnetic/paramagnetic transition of the site-diluted…

The transition from a many-body localized phase to a thermalizing one is a dynamical quantum phase transition which lies outside the framework of equilibrium statistical mechanics. We provide a detailed study of the critical properties of…

For more than 100 years, one of the central concepts in statistical mechanics has been the microcanonical ensemble, which provides a way of calculating the thermodynamic entropy for a specified energy. A controversy has recently emerged…

Entropy has become increasingly central to characterize, understand and even guide assembly, self-organization and phase transition processes. In this work, we build on the analogous role of partition functions (or free energies) in…

We develop a microscopic theory to analyze the phase behaviour and compute correlation functions of dense assemblies of soft repulsive particles both at finite temperature, as in colloidal materials, and at vanishing temperature, a…

We compare the transition barrier that accompanies a first-order phase transition in the canonical and microcanonical ensemble. This is directly encoded in the probability distributions of standard Metropolis Monte Carlo simulations and a…

In this work we extend the applicability of the microcanonical ensemble simulation method, originally proposed to study the Ising model (A. H\"uller and M. Pleimling, Int. Journal of Modern Physics C, 13, 947 (2002),…

In systems undergoing second order phase transitions, the temperature integral of the specific heat over temperature from zero to the critical temperature is the same in both the normal and ordered phases. This entropy balance relates the…

We investigate how the temperature calculated from the microcanonical entropy compares with the canonical temperature for finite isolated quantum systems. We concentrate on systems with sizes that make them accessible to numerical exact…

Entanglement entropies have revealed, in the last years, to be a powerful tool to extract information about the physics of condensed-matter systems. In the first part of this thesis, we show how to extract essential details about the…

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

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…