322 research outputs found
Transport properties of dense fluid argon
We calculate using molecular dynamics simulations the transport properties of
realistically modeled fluid argon at pressures up to and
temperatures up to . 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 , where
is the temperature of the apparatus, and 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
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