Comments on "State equation for the three-dimensional system of 'collapsing' hard spheres"

A recent paper [I. Klebanov et al. \emph{Mod. Phys. Lett. B} \textbf{22} (2008) 3153; arXiv:0712.0433] claims that the exact solution of the Percus-Yevick (PY) integral equation for a system of hard spheres plus a step potential is obtained. The aim of this paper is to show that Klebanov et al.'s result is incompatible with the PY equation since it violates two known cases: the low-density limit and the hard-sphere limit.Comment: 4 pages; v2: title chang

On the equivalence between the energy and virial routes to the equation of state of hard-sphere fluids

The energy route to the equation of state of hard-sphere fluids is ill-defined since the internal energy is just that of an ideal gas and thus it is independent of density. It is shown that this ambiguity can be avoided by considering a square-shoulder interaction and taking the limit of vanishing shoulder width. The resulting hard-sphere equation of state coincides exactly with the one obtained through the virial route. Therefore, the energy and virial routes to the equation of state of hard-sphere fluids can be considered as equivalent.Comment: 2 page

Simple relationship between the virial-route hypernetted-chain and the compressibility-route Percus--Yevick values of the fourth virial coefficient

As is well known, approximate integral equations for liquids, such as the hypernetted chain (HNC) and Percus--Yevick (PY) theories, are in general thermodynamically inconsistent in the sense that the macroscopic properties obtained from the spatial correlation functions depend on the route followed. In particular, the values of the fourth virial coefficient $B_4$ predicted by the HNC and PY approximations via the virial route differ from those obtained via the compressibility route. Despite this, it is shown in this paper that the value of $B_4$ obtained from the virial route in the HNC theory is exactly three halves the value obtained from the compressibility route in the PY theory, irrespective of the interaction potential (whether isotropic or not), the number of components, and the dimensionality of the system. This simple relationship is confirmed in one-component systems by analytical results for the one-dimensional penetrable-square-well model and the three-dimensional penetrable-sphere model, as well as by numerical results for the one-dimensional Lennard--Jones model, the one-dimensional Gaussian core model, and the three-dimensional square-well model.Comment: 8 pages; 4 figures; v2: slight change of title; proof extended to multicomponent fluid

Are the energy and virial routes to thermodynamics equivalent for hard spheres?

The internal energy of hard spheres (HS) is the same as that of an ideal gas, so that the energy route to thermodynamics becomes useless. This problem can be avoided by taking an interaction potential that reduces to the HS one in certain limits. In this paper the square-shoulder (SS) potential characterized by a hard-core diameter $\sigma'$, a soft-core diameter $\sigma>\sigma'$ and a shoulder height $\epsilon$ is considered. The SS potential becomes the HS one if (i) $\epsilon\to 0$, or (ii) $\epsilon\to\infty$, or (iii) $\sigma'\to\sigma$ or (iv) $\sigma'\to 0$ and $\epsilon\to\infty$. The energy-route equation of state for the HS fluid is obtained in terms of the radial distribution function for the SS fluid by taking the limits (i) and (ii). This equation of state is shown to exhibit, in general, an artificial dependence on the diameter ratio $\sigma'/\sigma$. If furthermore the limit $\sigma'/\sigma\to 1$ is taken, the resulting equation of state for HS coincides with that obtained through the virial route. The necessary and sufficient condition to get thermodynamic consistency between both routes for arbitrary $\sigma'/\sigma$ is derived.Comment: 10 pages, 4 figures; v2: minor changes; to be published in the special issue of Molecular Physics dedicated to the Seventh Liblice Conference on the Statistical Mechanics of Liquids (Lednice, Czech Republic, June 11-16, 2006

Full-vector analysis of a realistic photonic crystal fiber

We analyze the guiding problem in a realistic photonic crystal fiber using a novel full-vector modal technique, a biorthogonal modal method based on the nonselfadjoint character of the electromagnetic propagation in a fiber. Dispersion curves of guided modes for different fiber structural parameters are calculated along with the 2D transverse intensity distribution of the fundamental mode. Our results match those achieved in recent experiments, where the feasibility of this type of fiber was shown.Comment: 3 figures, submitted to Optics Letter

How `sticky' are short-range square-well fluids?

The aim of this work is to investigate to what extent the structural properties of a short-range square-well (SW) fluid of range $\lambda$ at a given packing fraction and reduced temperature can be represented by those of a sticky-hard-sphere (SHS) fluid at the same packing fraction and an effective stickiness parameter $\tau$. Such an equivalence cannot hold for the radial distribution function since this function has a delta singularity at contact in the SHS case, while it has a jump discontinuity at $r=\lambda$ in the SW case. Therefore, the equivalence is explored with the cavity function $y(r)$. Optimization of the agreement between y_{\sw} and y_{\shs} to first order in density suggests the choice for $\tau$. We have performed Monte Carlo (MC) simulations of the SW fluid for $\lambda=1.05$, 1.02, and 1.01 at several densities and temperatures $T^*$ such that $\tau=0.13$, 0.2, and 0.5. The resulting cavity functions have been compared with MC data of SHS fluids obtained by Miller and Frenkel [J. Phys: Cond. Matter 16, S4901 (2004)]. Although, at given values of $\eta$ and $\tau$, some local discrepancies between y_{\sw} and y_{\shs} exist (especially for $\lambda=1.05$), the SW data converge smoothly toward the SHS values as $\lambda-1$ decreases. The approximate mapping y_{\sw}\to y_{\shs} is exploited to estimate the internal energy and structure factor of the SW fluid from those of the SHS fluid. Taking for y_{\shs} the solution of the Percus--Yevick equation as well as the rational-function approximation, the radial distribution function $g(r)$ of the SW fluid is theoretically estimated and a good agreement with our MC simulations is found. Finally, a similar study is carried out for short-range SW fluid mixtures.Comment: 14 pages, including 3 tables and 14 figures; v2: typo in Eq. (5.1) corrected, Fig. 14 redone, to be published in JC

Large isotope effect on TcT_c in cuprates despite of a small electron-phonon coupling

We calculate the isotope coefficients $\alpha$ and $\alpha^\ast$ for the superconducting critical temperature $T_c$ and the pseudogap temperature $T^\ast$ in a mean-field treatment of the t-J model including phonons. The pseudogap phase is identified with the $d$-charge-density wave ($d$-CDW) phase in this model. Using the small electron-phonon coupling constant $\lambda_d \sim 0.02$ obtained previously in LDA calculations in YBa$_2$Cu$_3$O$_7$, $\alpha^{\ast}$ is negative but negligible small whereas $\alpha$ increases from about 0.03 at optimal doping to values around 1 at small dopings in agreement with the general trend observed in many cuprates. Using a simple phase fluctuation model where the $d$-CDW has only short-range correlations it is shown that the large increase of $\alpha$ at low dopings is rather universal and does not depend on the existence of sharp peaks in the density of states in the pseudogap state or on specific values of the phonon cutoff. It rather is caused by the large depletion of spectral weight at low frequencies by the $d$-CDW and thus should also occur in other realizations of the pseudogap.Comment: 8 pages, 5 figures, to be publ. in PR

Thermodynamic consistency of energy and virial routes: An exact proof within the linearized Debye-H\"uckel theory

The linearized Debye-H\"uckel theory for liquid state is shown to provide thermodynamically consistent virial and energy routes for any potential and for any dimensionality. The importance of this result for bounded potentials is discussed.Comment: 4 pages, 1 figure; v2: minor change