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A molecular theory of liquid water is identified and studied on the basis of computer simulation of the TIP3P model of liquid water. This theory would be exact for models of liquid water in which the intermolecular interactions vanish…

化学物理 · 物理学 2009-11-13 J. K. Shah , D. Asthagiri , L. R. Pratt , M. E. Paulaitis

In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields…

软凝聚态物质 · 物理学 2025-07-15 David M. Rogers

Thermodynamic properties of extensive but nonadditive systems are investigated. The precise definitions of additivity and extensivity are presented, and we will see that additivity derives several important properties including the…

统计力学 · 物理学 2015-10-27 Takashi Mori

We provide some new properties of entanglement of formation. In particular, we obtain an additive lower bound for entanglement of formation. Subsequently we develop the concept of local orthogonality of ensembles which leads to the mixed…

量子物理 · 物理学 2007-05-23 Pawel Horodecki , Ryszard Horodecki , Michal Horodecki

We employ classical thermodynamics to gain information about absolute entropy, without recourse to statistical methods, quantum mechanics or the Third Law of thermodynamics. The Gibbs-Duhem equation yields various simple methods to…

统计力学 · 物理学 2018-09-28 Andrew Steane

In this study, we reexamine the long-range interaction between two atoms placed in an equilibrium thermal radiation environment. Employing the formalism of quantum electrodynamics at finite temperatures, we derive an expression for the…

原子物理 · 物理学 2023-12-19 T. Zalialiutdinov , D. Solovyev

Recently a number of approaches has been developed to connect the microscopic dynamics of particle systems to the macroscopic properties of systems in nonequilibrium stationary states, via the theory of dynamical systems. This way a direct…

统计力学 · 物理学 2009-10-31 L. Rondoni , E. G. D. Cohen

We study the nonequilibrium thermodynamics of pure decoherence processes in open quantum systems coupled to a thermal reservoir. We review various definitions of central quantities, such as internal energy, work, heat and entropy…

量子物理 · 物理学 2025-06-16 Irene Ada Picatoste , Alessandra Colla , Heinz-Peter Breuer

Model interaction potentials for real materials are generally optimized with respect to only those experimental properties that are easily evaluated as mechanical averages (e.g., elastic constants (at T=0 K), static lattice energies and…

材料科学 · 物理学 2009-10-31 Jess B. Sturgeon , Brian. B. Laird

A statistical system is classically defined on a set of microstates $E$ by a global energy function $H : E \to \mathbb{R}$, yielding Gibbs probability measures (softmins) $\rho^\beta(H)$ for every inverse temperature $\beta = T^{-1}$. Gibbs…

统计力学 · 物理学 2022-07-05 Olivier Peltre

The calculation of the interfacial free energy between two thermodynamic phases is crucial across various fields, including materials science, chemistry, and condensed matter physics. In this study, we apply an existing thermodynamic…

软凝聚态物质 · 物理学 2024-11-26 Ignacio Sanchez-Burgos , Pablo Montero de Hijes , Eduardo Sanz , Carlos Vega , Jorge R. Espinosa

The knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic ``perturbative'' equation of state of a homogeneous ultracold gas we make predictions…

强关联电子 · 物理学 2009-11-11 G. E. Astrakharchik

The equations of state for an ideal generalized gas, like an ideal quantum gas, are expressed in terms of power laws of the temperature. The reduction of an ideal generalized gas to an ideal classical case occurs when the characteristic…

统计力学 · 物理学 2015-06-25 B. H. Lavenda

A Bose gas in an external potential is studied by means of the local density approximation. Analytical results are derived for the thermodynamic properties of an ideal Bose gas in a generic power-law trapping potential, and their dependence…

统计力学 · 物理学 2008-02-03 Hualin Shi , Wei-Mou Zheng

In order to provide a formally correct thermodynamical description of inhomogeneous fluids valid on all length scales down to the classical limit we postulate that all extensive quantities have locally extensive analogues. We derive local…

统计力学 · 物理学 2016-08-14 Aljaž Godec , Janko Jamnik , Franci Merzel

Experiments show that macroscopic systems in a stationary nonequilibrium state exhibit long range correlations of the local thermodynamic variables. In previous papers we proposed a Hamilton-Jacobi equation for the nonequilibrium free…

统计力学 · 物理学 2015-12-18 L. Bertini , A. De Sole , D. Gabrielli , G. Jona-Lasinio , C. Landim

The Eigenstate Thermalization Hypothesis implies that for a thermodynamically large system in one of its eigenstates, the reduced density matrix describing any finite subsystem is determined solely by a set of {\it relevant} conserved…

统计力学 · 物理学 2017-01-04 Sourav Nandy , Arnab Sen , Arnab Das , Abhishek Dhar

Compressible lattice gas models are used in material science to understand the coupling between composition and strain in alloys. The seminal work in this field is the 1973 Larch\'{e}-Cahn paper (Acta Metall. 21, 1051-1063). Single-phase…

材料科学 · 物理学 2025-08-20 Michiel Sprik

Thermodynamic and dynamical properties of systems with long-range pairwise interactions (LRI), which decay as $1/r^{d+\sigma}$ at large distances $r$ in $d$ dimensions, are reviewed. Two broad classes of such systems are discussed. (i)…

统计力学 · 物理学 2013-12-03 Freddy Bouchet , Shamik Gupta , David Mukamel

An equilibrium theory of classical fluids based on the space distribution among the particles is derived in the framework of the energy minimization method. This study is motivated by current difficulties of evaluation of optical properties…

统计力学 · 物理学 2009-11-10 R. D. Rohrmann