Related papers: On Boltzmann Averaging in Ab Initio Thermodynamics
An unified thermodynamical framework based in the use of a generalized Massieu-Planck thermodynamic potential is proposed and a new formulation of Boltzmann-Gibbs Statistical Mechanics is established. Under this philosophy a generalization…
In this study, we demonstrate the generalizability of graph neural networks in predicting the dynamic heterogeneity of model glass-forming liquids across different temperatures. While previous approaches have often been limited to making…
Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…
We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…
In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic…
We describe a symplectic approach towards thermodynamics in which thermodynamic transformations are described by (symplectic) Hamiltonian dynamics. Upon identifying the spaces of equilibrium states with Lagrangian submanifolds of a…
It is possible to formulate the thermodynamics of a glass forming system in terms of the properties of inherent structures, which correspond to the minima of the potential energy and build up the potential energy landscape in the…
A simplified relativistic kinetic theory for gases with internal degrees of freedom, based on a BGK-type collision term, is considered. First the Boltzmann equation is rewritten in tetrad form and then thermal coefficients are determined to…
It is known that the origin of the deviations from standard thermodynamics proceed from the strong coupling to the bath. Here, it is shown that these deviations are related to the power spectrum of the bath. Specifically, it is shown that…
In this paper, for the first time a theory is formulated that predicts velocity and spatial correlations between occupation numbers that occur in lattice gas automata violating semi-detailed balance. Starting from a coupled BBGKY hierarchy…
In this communication, the derivation of the Boltzmann-Gibbs and the Maxwellian distributions is presented from a geometrical point of view under the hypothesis of equiprobability. It is shown that both distributions can be obtained by…
Dynamical properties of a generic null surface are known to have a thermodynamic interpretation. Such an interpretation is completely based on an analogy between the usual law of thermodynamics and structure of gravitational field equation…
A thermodynamic framework that predicts the thermal conductivity $\lambda$ of simple fluids beyond the dilute-gas limit is introduced. By generalizing the transition-rate approach of particles on a lattice to conserved quantities in…
In this paper we propose a novel approach to construct macroscopic balance equations and constitutive equations describing various irreversible phenomena. It is based on the general principles of non-equilibrium thermodynamics and consists…
We derive the approximate pressure profiles, density profiles, and temperature profiles of an atmosphere, also called barometric formulas. Our variant of a derivation goes beyond the common standard exercise of a thermodynamics lecture,…
A simple exactly solvable kinetic model for the non-linear inelastic hard sphere Boltzmann equation is used to explore the relevance of hydrodynamics for a granular gas. The equation predicts a non-trivial homogeneous cooling state (HCS),…
A way to construct Boltzmann entropy, i.e., the entropy as a function of a microscopic pure state, for quantum field systems is proposed. Operators that shift the field in wavevector space are used in the construction. By employing an…
Consider the steady Boltzmann equation with slab symmetry for a monatomic, hard sphere gas in a half space. At the boundary of the half space, it is assumed that the gas is in contact with its condensed phase. The present paper discusses…
This paper investigates generalized thermodynamic relationships in physical systems where relevant macroscopic variables are determined by the exponential Kolmogorov-Nagumo average. We show that while the thermodynamic entropy of such…
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…