相关论文: Probing the force field sensitivity of entropy and…
A generic property of a first-order phase transition in equilibrium, and in the limit of large entropy per unit of conserved charge, is the smallness of the isentropic speed of sound in the ``mixed phase''. A specific prediction is that…
The Many-Body Expansion (MBE) is a useful tool to simulate condensed phase chemical systems, often avoiding the steep computational cost of usual electronic structure methods. However, it often requires higher than 2-body terms to achieve…
Simulation results are presented to demonstrate electron temperature and electrical potential development in dilute and cold plasma development. The simulation method is a hybrid method which adopted fluid model for electrons due to their…
We give a variational formulation of classical statistical mechanics where the one-body density and the local entropy distribution constitute the trial fields. Using Levy's constrained search method it is shown that the grand potential is a…
We study the ratio of the entropy to the total energy in conformal field theories at finite temperature. For the free field realizations of N=4 super Yang-Mills theory in D=4 and the (2,0) tensor multiplet in D=6, the ratio is bounded from…
Application of a negative field on a positively poled ferroelectric sample can enhance the electrocaloric cooling and appears as a promising method to optimize the electrocaloric cycle. Experimental measurements show that the maximal…
The use of partition function zeros in the study of phase transition is growing in the last decade mainly due to improved numerical methods as well as novel formulations and analysis. In this paper the impact of different parameters choice…
Anharmonic effects are widely believed to be the primary cause of the overestimation of superconducting transition temperatures of yttrium hydrides YH$_6$ and YH$_9$ in theoretical predictions. However, prior studies indicate that…
We show that standard algorithms for anisotropic diffusion based on centered differencing (including the recent symmetric algorithm) do not preserve monotonicity. In the context of anisotropic thermal conduction, this can lead to the…
We address periodic-image errors arising from the use of periodic boundary conditions to describe systems that do not exhibit full three-dimensional periodicity. The difference between the periodic potential, as straightforwardly obtained…
A measure of how sensitive the entanglement entropy is in a quantum system, has been proposed and its information geometric origin is discussed. It has been demonstrated for two exactly solvable spin systems, that thermodynamic criticality…
Electronic structure methods offer in principle accurate predictions of molecular properties, however, their applicability is limited by computational costs. Empirical methods are cheaper, but come with inherent approximations and are…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
Low-order perturbation corrections to the electronic grand potential, internal energy, chemical potential, and entropy of a gas of noninteracting, identical molecules at a nonzero temperature are determined numerically as the…
The one--loop effective action for a slowly varying electromagnetic field is computed at finite temperature and density using a real-time formalism. We discuss the gauge invariance of the result. Corrections to the Debye mass from an…
In systems with detailed balance, the stationary distribution and the equilibrium distribution are identical, creating a clear connection between energetic and entropic quantities. Many driven systems violate detailed balance and still pose…
We analyze anomalies in data to test the violation of Bell's inequality for the EPR-Bohm experiment. We found that the experimental correlations for photon polarization have an intriguing property. In the experimental data there are visible…
We numerically determine the entropy for heat-conducting states, which is connected to the so-called excess heat considered as a basic quantity for steady-state thermodynamics in nonequilibrium. We adopt an efficient method to estimate the…
Relative entropy is a non-negative quantity and offers a powerful means of achieving a unified understanding of fundamental properties in physics, including the second law of thermodynamics and positivity bounds on effective field theories…
In this work we propose a new algorithm for the computation of statistical equilibrium quantities on a cubic lattice when both an energy and a statistical temperature are involved. We demonstrate that the pivot algorithm used in situations…