Transport properties of dense fluid argon

We calculate using molecular dynamics simulations the transport properties of realistically modeled fluid argon at pressures up to $\simeq 50GPa$ and temperatures up to $3000K$. In this context we provide a critique of some newer theoretical predictions for the diffusion coefficients of liquids and a discussion of the Enskog theory relevance under two different adaptations: modified Enskog theory (MET) and effective diameter Enskog theory. We also analyze a number of experimental data for the thermal conductivity of monoatomic and small diatomic dense fluids.Comment: 8 pages, 6 figure

Combining quantum and classical density functional theory for ion-electron mixtures

We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's quantum hypernetted chain approximation, which we derive within a DFT formulation. We also sketch out how to apply the DFT formulation to inhomogeneous electron-ion mixtures, and use this to study the electron distribution at the liquid-solid interface of Al.Comment: to be published in J. Non-Cryst. Solids, LAM 11 special issu

On the equivalence of the Einstein-Hilbert and the Einstein-Palatini formulations of general relativity for an arbitrary connection

In the framework of the Einstein-Palatini formalism, even though the projective transformation connecting the arbitrary connection with the Levi Civita connection has been floating in the literature for a long time and perhaps the result was implicitly known in the affine gravity community, yet as far as we know Julia and Silva were the first to realise its gauge character. We rederive this result by using the Rosenfeld-Dirac-Bergmann approach to constrained Hamiltonian systems and do a comprehensive self contained analysis establishing the equivalence of the Einstein-Palatini and the metric formulations without having to impose the gauge choice that the connection is symmetric. We also make contact with the the Einstein-Cartan theory when the matter Lagrangian has fermions.Comment: 18 pages. Slight change in the title and wording of some sections to emphasize the main results. References added. Matches published versio

Quantum geometrodynamics: whence, whither?

Quantum geometrodynamics is canonical quantum gravity with the three-metric as the configuration variable. Its central equation is the Wheeler--DeWitt equation. Here I give an overview of the status of this approach. The issues discussed include the problem of time, the relation to the covariant theory, the semiclassical approximation as well as applications to black holes and cosmology. I conclude that quantum geometrodynamics is still a viable approach and provides insights into both the conceptual and technical aspects of quantum gravity.Comment: 25 pages; invited contribution for the Proceedings of the seminar "Quantum Gravity: Challenges and Perspectives", Bad Honnef, Germany, April 200

Capillary Condensation and Interface Structure of a Model Colloid-Polymer Mixture in a Porous Medium

We consider the Asakura-Oosawa model of hard sphere colloids and ideal polymers in contact with a porous matrix modeled by immobilized configurations of hard spheres. For this ternary mixture a fundamental measure density functional theory is employed, where the matrix particles are quenched and the colloids and polymers are annealed, i.e. allowed to equilibrate. We study capillary condensation of the mixture in a tiny sample of matrix as well as demixing and the fluid-fluid interface inside a bulk matrix. Density profiles normal to the interface and surface tensions are calculated and compared to the case without matrix. Two kinds of matrices are considered: (i) colloid-sized matrix particles at low packing fractions and (ii) large matrix particles at high packing fractions. These two cases show fundamentally different behavior and should both be experimentally realizable. Furthermore, we argue that capillary condensation of a colloidal suspension could be experimentally accessible. We find that in case (ii), even at high packing fractions, the main effect of the matrix is to exclude volume and, to high accuracy, the results can be mapped onto those of the same system without matrix via a simple rescaling.Comment: 12 pages, 9 figures, submitted to PR

Quantum measurement as driven phase transition: An exactly solvable model

A model of quantum measurement is proposed, which aims to describe statistical mechanical aspects of this phenomenon, starting from a purely Hamiltonian formulation. The macroscopic measurement apparatus is modeled as an ideal Bose gas, the order parameter of which, that is, the amplitude of the condensate, is the pointer variable. It is shown that properties of irreversibility and ergodicity breaking, which are inherent in the model apparatus, ensure the appearance of definite results of the measurement, and provide a dynamical realization of wave-function reduction or collapse. The measurement process takes place in two steps: First, the reduction of the state of the tested system occurs over a time of order $\hbar/(TN^{1/4})$, where $T$ is the temperature of the apparatus, and $N$ is the number of its degrees of freedom. This decoherence process is governed by the apparatus-system interaction. During the second step classical correlations are established between the apparatus and the tested system over the much longer time-scale of equilibration of the apparatus. The influence of the parameters of the model on non-ideality of the measurement is discussed. Schr\"{o}dinger kittens, EPR setups and information transfer are analyzed.Comment: 35 pages revte

Probing Ion-Ion and Electron-Ion Correlations in Liquid Metals within the Quantum Hypernetted Chain Approximation

We use the Quantum Hypernetted Chain Approximation (QHNC) to calculate the ion-ion and electron-ion correlations for liquid metallic Li, Be, Na, Mg, Al, K, Ca, and Ga. We discuss trends in electron-ion structure factors and radial distribution functions, and also calculate the free-atom and metallic-atom form-factors, focusing on how bonding effects affect the interpretation of X-ray scattering experiments, especially experimental measurements of the ion-ion structure factor in the liquid metallic phase.Comment: RevTeX, 19 pages, 7 figure

Theoretical description of phase coexistence in model C60

We have investigated the phase diagram of the Girifalco model of C60 fullerene in the framework provided by the MHNC and the SCOZA liquid state theories, and by a Perturbation Theory (PT), for the free energy of the solid phase. We present an extended assessment of such theories as set against a recent Monte Carlo study of the same model [D. Costa et al, J. Chem. Phys. 118:304 (2003)]. We have compared the theoretical predictions with the corresponding simulation results for several thermodynamic properties. Then we have determined the phase diagram of the model, by using either the SCOZA, or the MHNC, or the PT predictions for one of the coexisting phases, and the simulation data for the other phase, in order to separately ascertain the accuracy of each theory. It turns out that the overall appearance of the phase portrait is reproduced fairly well by all theories, with remarkable accuracy as for the melting line and the solid-vapor equilibrium. The MHNC and SCOZA results for the liquid-vapor coexistence, as well as for the corresponding critical points, are quite accurate. All results are discussed in terms of the basic assumptions underlying each theory. We have selected the MHNC for the fluid and the first-order PT for the solid phase, as the most accurate tools to investigate the phase behavior of the model in terms of purely theoretical approaches. The overall results appear as a robust benchmark for further theoretical investigations on higher order C(n>60) fullerenes, as well as on other fullerene-related materials, whose description can be based on a modelization similar to that adopted in this work.Comment: RevTeX4, 15 pages, 7 figures; submitted to Phys. Rev.

Age constraints and fine tuning in variable-mass particle models

VAMP (variable-mass particles) scenarios, in which the mass of the cold dark matter particles is a function of the scalar field responsible for the present acceleration of the Universe, have been proposed as a solution to the cosmic coincidence problem, since in the attractor regime both dark energy and dark matter scale in the same way. We find that only a narrow region in parameter space leads to models with viable values for the Hubble constant and dark energy density today. In the allowed region, the dark energy density starts to dominate around the present epoch and consequently such models cannot solve the coincidence problem. We show that the age of the Universe in this scenario is considerably higher than the age for noncoupled dark energy models, and conclude that more precise independent measurements of the age of the Universe would be useful in distinguishing between coupled and noncoupled dark energy models.Comment: 7 pages, 8 figures, matches the Phys. Rev. D published versio