arXiv subjects

J. S. Hoye

Publications and source records attributed to J. S. Hoye.

9 recordsLinked to original sources

arXiv2007

Towards a unification of HRT and SCOZA. Analysis of exactly solvable mean-spherical and generalized mean-spherical models

The hierarchical reference theory (HRT) and the self-consistent Ornstein-Zernike approximation (SCOZA) are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as the phase coexistence and equation of state in general. Furthermore, there are a number of similarities that suggest the possibility of a unification of both theories. Earlier in this respect we have studied consistency between the internal energy and free energy routes. As a next step toward this goal we here consider consistency with the compressibility route too, but we restrict explicit evaluations to a model whose exact solution is known showing that a unification works in that case. The model in question is the mean spherical model (MSM) which we here extend to a generalized MSM (GMSM). For this case, we show that the correct solutions can be recovered from suitable boundary conditions through either of SCOZA or HRT alone as well as by the combined theory. Furthermore, the relation between the HRT-SCOZA equations and those of SCOZA and HRT becomes transparent.

cond-mat.stat-mech↗

arXiv2006

Self-consistent Ornstein-Zernike approximation for molecules with soft cores

The Self-Consistent Ornstein-Zernike Approximation (SCOZA) is an accurate liquid state theory. So far it has been tied to interactions composed of hard core repulsion and long-range attraction, whereas real molecules have soft core repulsion at short distances. In the present work, this is taken into account through the introduction of an effective hard core with a diameter that depends upon temperature only. It is found that the contribution to the configurational internal energy due to the repulsive reference fluid is of prime importance and must be included in the thermodynamic self-consistency requirement on which SCOZA is based. An approximate but accurate evaluation of this contribution relies on the virial theorem to gauge the amplitude of the pair distribution function close to the molecular surface. Finally, the SCOZA equation is transformed by which the problem is reformulated in terms of the usual SCOZA with fixed hard core reference system and temperature-dependent interaction.

cond-mat.stat-mech↗

arXiv2006

What is the Temperature Dependence of the Casimir Effect?

There has been recent criticism of our approach to the Casimir force between real metallic surfaces at finite temperature, saying it is in conflict with the third law of thermodynamics and in contradiction with experiment. We show that these claims are unwarranted, and that our approach has strong theoretical support, while the experimental situation is still unclear.

quant-ph↗

arXiv2005

Towards a unification of HRT and SCOZA

The Hierarchical Reference Theory (HRT) and the Self-Consistent Ornstein-Zernike Approximation (SCOZA) are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as phase separation and the equation of state in general. Furthermore, there are a number of similarities that suggest the possibility of a unification of both theories. As a first step towards this goal we consider the problem of combining the lowest order gamma expansion result for the incorporation of a Fourier component of the interaction with the requirement of consistency between internal and free energies, leaving aside the compressibility relation. For simplicity we restrict ourselves to a simplified lattice gas that is expected to display the same qualitative behavior as more elaborate models. It turns out that the analytically tractable Mean Spherical Approximation is a solution to this problem, as are several of its generalizations. Analysis of the characteristic equations shows the potential for a practical scheme and yields necessary conditions any closure to the Ornstein Zernike relation must fulfill for the consistency problem to be well posed and to have a unique differentiable solution. These criteria are expected to remain valid for more general discrete and continuous systems, even if consistency with the compressibility route is also enforced where possible explicit solutions will require numerical evaluations.

cond-mat.stat-mech↗

arXiv2003

Temperature Dependence of the Casimir Force for Metals

Starting from the Lifshitz formula for the Casimir force between parallel plates we calculate the difference between the forces at two different settings, one in which the temperature is $T_1=350$ K, the other when $T_2=300$ K. As material we choose gold, and make use of the Drude dispersion relation. Our results, which are shown graphically, should be directly comparable to experiment. As an analogous calculation based upon the plasma dispersion relation leads to a different theoretical force difference, an experiment of this kind would be a decisive test. We also present an analogous calculation for the case when the two plates are replaced with a sphere-plate system, still with gold as material in both bodies. The sphere is assumed so large that the proximity theorem holds. Discussion of the consistency with the third law of thermodynamics and the validity of the surface impedance approach is provided.

quant-ph↗

arXiv2003

Does the Transverse Electric Zero Mode Contribute to the Casimir Effect for a Metal?

The finite temperature Casimir free energy, entropy, and internal energy are considered anew for a conventional parallel-plate configuration, in the light of current discussions in the literature. In the case of an "ideal" metal, characterized by a refractive index equal to infinity for all frequencies, we recover, via a somewhat unconventional method, conventional results for the temperature dependence, meaning that the zero-frequency transverse electric mode contributes the same as the transverse magnetic mode. For a real metal, however, approximately obeying the Drude dispersive model at low frequencies, we find that the zero-frequency transverse electric mode does not contribute at all. This would appear to lead to an observable temperature dependence and a violation of the third law of thermodynamics. It had been suggested that the source of the difficulty was the behaviour of the reflection coefficient for perpendicular polarization but we show that this is not the case. By introducing a simplified model for the Casimir interaction, consisting of two harmonic oscillators interacting via a third one, we illustrate the behavior of the transverse electric field. Numerical results are presented based on the refractive index for gold. A linear temperature correction to the Casimir force between parallel plates is indeed found which should be observable in room-temperature experiments, but this does not entail any thermodynamic inconsistency.

quant-ph↗

arXiv2001

Self-consistent Ornstein-Zernike approximation for three-dimensional spins

An Ornstein-Zernike approximation for the two-body correlation function embodying thermodynamic consistency is applied to a system of classical Heisenberg spins on a three-dimensional lattice. The consistency condition determined in a previous work is supplemented by introducing a simplified expression for the mean-square fluctuations of the spin on each lattice site. The thermodynamics and the correlations obtained by this closure are then compared with approximants based on extrapolation of series expansions and with Monte Carlo simulations. The comparison reveals that many properties of the model, including the critical temperature, are very well reproduced by this simple version of the theory, but that it shows substantial quantitative error in the critical region, both above the critical temperature and with respect to its rendering of the spontaneous magnetization curve. A less simple but conceptually more satisfactory version of the SCOZA is then developed, but not solved, in which the effects of transverse correlations on the longitudinal susceptibility is included, yielding a more complete and accurate description of the spin-wave properties of the model.

cond-mat.stat-mech↗

arXiv1998

A Theory for the Membrane Potential of Living Cells

We give an explicit formula for the membrane potential of cells in terms of the intracellular and extracellular ionic concentrations, and derive equations for the ionic currents that flow through channels, exchangers and electrogenic pumps. We demonstrate that the work done by the pumps equals the change in potential energy of the cell, plus the energy lost in downhill ionic fluxes through the channels and exchangers. The theory is illustrated in a simple model of spontaneously active cells in the cardiac pacemaker. The model predicts the experimentally observed intracellular ionic concentration of potassium, calcium, and sodium. Likewise the shapes of the simulated action potential and five membrane currents are in good agreement with experiments. We do not see any drift in the values of the concentrations in a long time simulation, and we obtain the same asymptotic values when starting from the full equilibrium situation with equal intracellular and extracellular ionic concentrations.

physics.bio-ph↗

arXiv1998

A Solution to the Gating Paradox

We introduce a Markov model for the gating of membrane channels. The model features a possible solution to the so-called gating current paradox, namely that the bell-shaped curve that describes the voltage dependence of the kinetics is broader than expected from, and shifted relative to, the sigmoidal curve that describes the voltage dependence of the activation. The model also predicts some temperature dependence of this shift, but presence of the latter has not been tested experimentally so far.

physics.bio-ph↗