相关论文: Mini-grand canonical ensemble: chemical potential …

The lack of a procedure to determine equilibrium thermodynamic properties of a small system interacting with a bath is frequently seen as a weakness of conventional statistical mechanics. A typical example for such a small system is a…

A new statistical ensemble is examined using the example of classical one-component simple fluid. It's logical to call it an open ensemble, because its peculiarity is the inclusion in the consideration some surrounding area. Calculations…

Monte Carlo computer simulations are used to study transient cavities and the solvation of hard-spheroid solutes in dipolar hard sphere solvents. The probability distribution of spheroidal cavities in the solvent is shown to be well…

Simulations of water near extended hydrophobic spherical solutes have revealed the presence of a region of depleted density and accompanying enhanced density fluctuations.The physical origin of both phenomena has remained somewhat obscure.…

Binary mixtures of hard-spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the…

Fluctuations of charged particle number are studied in the canonical ensemble. In the infinite volume limit the fluctuations in the canonical ensemble are different from the fluctuations in the grand canonical one. Thus, the well-known…

We study the behavior of a moving wall in contact with a particle gas and subjected to an external force. We compare the fluctuations of the system observed in the microcanonical and canonical ensembles, at varying the number of particles.…

We present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various interaction potentials. For the first time, using MCT, it is…

This work presents a rigorous statistical mechanical theory of solvation free energies, specifically useful for describing the long-range nature of ions in an electrolyte solution. The theory avoids common issues with field theories by…

We formulate frequency fluctuations of intramolecular vibrations of a solute by exploring the fluctuation of the electrostatic potential by solvents. We present a numerical methodology for estimating the frequency fluctuations; the…

New simulations are reported of a single bilayer immersed in a liquid solvent, using a simple extension of the model of the Max-Plack group and of model used in earlier work. Fluctuation spectrum vel structure factor is dissected in detail…

Solvation of small and large clusters are studied by simulation, considering a range of solvent-solute attractive energy strengths. Over a wide range of conditions, both for solvation in the Lennard-Jones liquid and in the SPC model of…

A new method is proposed for a treatment of ideal quantum gases in the microcanonical ensemble near the thermodynamic limit. The method allows rigorous asymptotic calculations of the average number of particles and particle number…

We present a statistical mechanical theory of multi-component fluids, where we consider the correlation functions of the number densities and the energy density in the grand canonical ensemble. In terms of their space integrals we express…

We measure the energy fluctuations of a Brownian particle confined by an optical trap in an aging gelatin after a very fast quench (less than 1 ms). The strong nonequilibrium fluctuations due to the assemblage of the gel, are interpreted,…

We propose that impurities in Bose-Einstein condensates can serve as a minimal laboratory system to explore the effects of quantum and thermal fluctuations on solvation. Specifically, we show that the role of quantum fluctuations in the…

We present a brief review of the classical density functional theory of atomic and molecular fluids. We focus on the application of the theory to the determination of the solvation properties of arbitrary molecular solutes in arbitrary…

Molecular dynamics simulations of a quasi-harmonic solid are conducted to elucidate the meaning of temperature fluctuations in canonical systems and validate a well-known but frequently contested equation predicting the mean square of such…

Particle number fluctuations are studied in the microcanonical ensemble. For the Boltzmann statistics we deduce exact analytical formulae for the microcanonical partition functions in the case of non-interacting massless neutral particles…

This article examines the spatial {dynamics of bed load particles} in water. We focus particularly on the fluctuations of particle activity, which is defined as the number of moving particles per unit bed {length}. Based on a stochastic…