Coulomb interaction symmetries and the Mayer series in the two-dimensional dipole gas

We study the Mayer series of the two-dimensional dipole gas in the high-temperature, low-density regime. Without performing any multiscale analysis, we obtain bounds showing that the Mayer coefficients are finite in the thermodynamic limit. These bounds are obtained by exploiting a particular partial symmetry of the interaction (which we nameO-symmetry), already used in some problems related to the two-dimensional Coulomb gas. By direct bounds on some Mayer graphs we also conjecture that any technique based uniquely on theO-symmetry will not be sufficient to prove analyticity of the series.     

Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling

The Mayer sampling method was used to compute the virial coefficients of high-dimensional hard-sphere fluids. The first 64 virial coefficients for dimensions 12 < D ? 100 were obtained to high precision, and several lower dimensional virial coefficients were computed. The radii of convergence of the virial series in 13, 15, 17 and 19 dimensions agreed well with the analytical results from the Percus–Yevick closure.     

Mayer expansions and the Hamilton-Jacobi equation. II. Fermions,dimensional reduction formulas

We obtain estimates on effective actions for fermionic field theories by studying the flow of a continuous renormalization group transformation. For bosonic theories and statistical mechanics, we establish some new formulas for Mayer coefficients which are consequences of dimensional reduction.     

On the analyticity of the pressure in the hierarchical dipole gas

The convergence of the Mayer expansion is proved by estimating directly the convergence radius.     

Delta-function expansion of Mayer function with application to virial coefficients

The Mayer cluster integrals of a fluid with smooth, repulsive interactions are expanded in orders of a well-defined softness parameter. To first but not second order in softness, all virial coefficients are given by their hard-sphere forms with an effective diameter. A closed asymptotic expression is derived for the third virial coefficient which gives excellent results for the inverse power and exponential potentials.     

Flexoelectric effect modelling

A statistical theory of dipole flexoelectric (FE) polarization in liquid crystals is used to calculate temperature dependence of order parameters, elastic constants and FE coefficients. Two systems with polar wedge-shaped and banana-shaped molecules are investigated. In both cases, the FE coefficients are proportional to the dipole moment component parallel to the molecule symmetry axis. It results from the symmetries of interactions and of the Mayer function. The origin of the FE effect and microscopic pictures of the distorted phases are discussed.     

Estimation of van der Waals dipole-quadrupole interactions

A formula has been derived based on a variational approach for the van der Waals dipole-quadrupole interaction coefficient between two atoms or ions. The coefficients for the various ion pairs in the alkali halides have been estimated on the basis of this formula. The results agree quite well with those estimated by Mayer (J. Chem. Phys.1, 270 (1933)) using a perturbation approach. The present formula is shown to have a practical advantage over the perturbation formula.     

Coulomb Systems at Low Density: A Review

Results on the correlations of low-density classical and quantum Coulomb systems at equilibrium in three dimensions are reviewed. The exponential decay of particle correlations in the classical Coulomb system, Debye–Hückel screening, is compared and contrasted with the quantum case, where strong arguments are presented for the absence of exponential screening. Results and techniques for detailed calculations that determine the asymptotic decay of correlations for quantum systems are discussed. Theorems on the existence of molecules in the Saha regime are reviewed. Finally, new combinatoric formulas for the coefficients of Mayer expansions are presented and their role in proofs of results on Debye–Hückel screening is discussed.     

Random Matrices and Lyapunov Coefficients Regularity

Analyticity and other properties of the largest or smallest Lyapunov exponent of a product of real matrices with a “cone property” are studied as functions of the matrices entries, as long as they vary without destroying the cone property. The result is applied to stability directions, Lyapunov coefficients and Lyapunov exponents of a class of products of random matrices and to dynamical systems. The results are not new and the method is the main point of this work: it is is based on the classical theory of the Mayer series in Statistical Mechanics of rarefied gases.     

Derivation of Mayer Series from Canonical Ensemble

Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid(X.Z. Wang, Phys. Rev. E66(2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula.     

Convergence of Mayer expansions

The tree graph bound of Battle and Federbush is extended and used to provide a simple criterion for the convergence of (iterated) Mayer expansions. As an application estimates on the radius of convergence of the Mayer expansion for the two-dimensional Yukawa gas (nonstable interaction) are obtained.     

Mayer and Virial Series at Low Temperature

We analyze the Mayer and virial series (pressure as a function of the activity resp. the density) for a classical system of particles in continuous configuration space at low temperature. Particles interact via a finite range potential with an attractive tail. We propose physical interpretations of the Mayer and virial series’ radii of convergence, valid independently of the question of phase transition: the Mayer radius corresponds to a fast increase from very small to finite density, and the virial radius corresponds to a cross-over from monatomic to polyatomic gas. Our results are consistent with the Lee-Yang theorem for lattice gases and with the continuum Widom-Rowlinson model.     

From Natural History to the Nuclear Shell Model: Chemical Thinking in the Work of Mayer,Haxel, Jensen,and Suess

In 1949 the nuclear shell model was discovered simultaneously in the United States and Germany. Both discoveries were the result of a nuclear scientist looking at geochemical and nuclear data with the eyes of a chemist. Maria Goeppert Mayer in the United States and Hans Suess in Germany both brought a chemists perspective to the problem; the theoretical solution was subsequently supplied independently by Mayer and Hans Jensen.Karen E. Johnson is Priest Associate Professor at St.Lawrence University, where she teaches physics and history of science. She is currently writing a dual biography of Maria Goeppert Mayer and Joseph E.Mayer.     

A Correction to a Remark in a Paper by Procacci and Yuhjtman: New Lower Bounds for the Convergence Radius of the Virial Series

In this note we deduce a new lower bound for the convergence radius of the Virial series of a continuous system of classical particles interacting via a stable and tempered pair potential using the estimates on the Mayer coefficients obtained in the recent paper by Procacci and Yuhjtman (Lett Math Phys 107:31–46, 2017). This corrects the wrongly optimistic lower bound for the same radius claimed (but not proved) in the above cited paper (in Remark 2 below Theorem 1). The lower bound for the convergence radius of the Virial series provided here represents a strong improvement on the classical estimate given by Lebowitz and Penrose in 1964.     

Evaluation of second and third dielectric virial coefficients for non-polarisable molecular models

The dielectric constant, ε, of a dilute vapour can be estimated from the dielectric virial equation of state (VEOS), but the long-ranged nature of the electrostatic interactions complicates the evaluation of coefficients of this series. We propose a formulation of the second and third dielectric coefficients of a general non-polarisable molecular model that permits their reliable calculation using Mayer sampling Monte Carlo. We demonstrate for three models: dipolar hard spheres, dipolar Lennard–Jones, and TIP4P water. The coefficients are used to compute ε for each model as a function of density, which are compared to molecular-simulation data. The form of the VEOS relating ε to density depends on the dielectric constant ε′ of the embedding medium. Three choices are examined: vacuum (ε′ = 1), self-consistent (ε′ = ε) and tin foil (ε′ = ∞). The vacuum-boundary form is found to be unreliable, losing accuracy at low density and yielding divergent results for ε at moderate densities. In contrast, the series formulated using the tin-foil boundary produces accurate and stable values of ε for almost all conditions and models examined here, even when truncated at second order (which itself is shown to be a large improvement over the first-order Clausius–Mossotti–Debye formula).     

Mayer function perturbation theory of effective interaction of charged colloids

In this paper, the effective interaction between charged colloids has been studied based on the standard Mayer function perturbation theory. With the formalism developed in this paper, the effective interaction as a function of Mayer functions and the correlation functions of the homogeneous microions is obtained. The asymptotic behaviour of the effective interaction at large distance is analysed in detail. It is found that at large distance the effective interaction is Yukawa like, provided the bare charge is replaced by the renormalised one. Exact expressions for the renormalised charge and the decay length as functions of the short-range part of the Mayer function and that of the correlation function of the homogeneous microions are obtained. With perturbation methods, it is easy to see how the effective interaction at large distance is affected by microion correlations and nonlinearity.     

Thermodynamics of the Stockmayer fluid in an applied field

The thermodynamic properties of the Stockmayer fluid in an applied field are studied using theory and computer simulation. Theoretical expressions for the second and third virial coefficients are obtained in terms of the dipolar coupling constant (λ, measuring the strength of dipolar interactions as compared to thermal energy) and dipole–field interaction energy (α, being proportional to the applied field strength). These expressions are tested against numerical results obtained by Mayer sampling calculations. The expression for the second virial coefficient contains terms up to λ⁴, and is found to be accurate over realistic ranges of dipole moment and temperature, and over the entire range of the applied field strength (from zero to infinity). The corresponding expression for the third virial coefficient is truncated at λ³, and is not very accurate: higher order terms are very difficult to calculate. The virial coefficients are incorporated in to a thermodynamic theory based on a logarithmic representation of the Helmholtz free energy. This theory is designed to retain the input virial coefficients, and account for some higher order terms in the sense of a resummation. The compressibility factor is obtained from the theory and compared to results from molecular dynamics simulations with a typical value λ = 1. Despite the mathematical approximations of the virial coefficients, the theory captures the effects of the applied field very well. Finally, the vapour–liquid critical parameters are determined from the theory, and compared to published simulation results; the agreement between the theory and simulations is good.     

The virial coefficients of hard hypersphere binary mixtures

The third, fourth and fifth virial coefficients of hard hypersphere binary mixtures with dimensionality d = 4, 5 have been calculated for size ratios R ≥ 0.1, R = ≡ σ₂₂/σ₁₁, where σ _ii is the diameter of component i. The composition independent partial virial coefficients have been evaluated by Monte Carlo integration of the corresponding Mayer modified star diagrams. The results are compared with the predictions of Santos, S., Yuste, S. B., and Lopez de Haro, M., 1999, Molec. Phys., 96, 1 of the equation of state of a multicomponent mixture of hard hyperspheres, and the good agreement gives strong support to the validity of that recipe.     

Surface diffusion of k-mers in one-dimensional systems

The surface diffusion of interacting k-mers is studied both through analytical and Monte Carlo simulation methods in one-dimensional systems. Adsorption isotherms, jump diffusion coefficients and collective diffusion coefficients are obtained for attractive and repulsive k-mers, showing a variety of behaviors as a function of the size of particles, k. The following main results are found: (a) diffusion coefficients increase with k for non-interacting particles; (b) for fixed k, diffusion coefficients increase as the interaction energy increases from negative (attractive) to positive (repulsive) values; (c) for attractive interactions diffusion coefficients increase with k in the whole range of coverage; (d) for repulsive interactions diffusion coefficients decrease with k up to moderately high coverage and increase with k at high coverage. Results are rationalized in terms of the behavior of the vacancy probability distribution.     

Internet Websites Statistics Expressed in the Framework of the Ursell—Mayer Cluster Formalism

We show that it is possible to generalize the Ursell–Mayer cluster formalism so that it may cover also the statistics of Internet websites. Our starting point is the introduction of an extra variable that is assumed to take account, as will be explained, of the nature of the Internet statistics. We then show, following the arguments in Mayer, that one may obtain a phase transition-like phenomena.