On the contact values of the density profiles in an electric double layer using density functional theory

A recently proposed local second contact value theorem [Henderson D., Boda D., J. Electroanal. Chem., 2005, 582, 16] for the charge profile of an electric double layer is used in conjunction with the existing Monte Carlo data from the literature to assess the contact behavior of the electrode-ion distributions predicted by the density functional theory. The results for the contact values of the co- and counterion distributions and their product are obtained for the symmetric valency, restricted primitive model planar double layer for a range of electrolyte concentrations and temperatures. Overall, the theoretical results satisfy the second contact value theorem reasonably well, the agreement with the simulations being semi-quantitative or better. The product of the co- and counterion contact values as a function of the electrode surface charge density is qualitative with the simulations with increasing deviations at higher concentrations.Comment: 10 pages, 8 figure

Pathogen burden and cortisol profiles over the day

Hypothalamic-pituitary-adrenocortical (HPA) regulation in adults is influenced by early psychosocial adversity, but the role of infectious disease history is poorly understood. We studied the association between cumulative pathogen burden and cortisol profile over the day in a sample of 317 healthy men and women aged 51-72 years. Cumulative pathogen burden was defined as positive serostatus for Chlamydia pneumoniae, cytomegalovirus (CMV) and herpes simplex virus 1 (HSV-1). Salivary cortisol was sampled repeatedly over the day. The cortisol slope was defined as the decrease across the day and evening. Age, gender, grade of employment, body mass index, smoking status, self-rated health, cardiovascular medication, depressed mood and time of waking were included as covariates. The pathogen burden averaged 1.76 (S.D. = 0.92). The cortisol slope was inversely associated with pathogen burden after controlling for covariates. When individual pathogens were studied, only CMV was associated with flatter cortisol rhythms in isolation. We conclude that pathogen burden is independently associated with flatter cortisol slopes over the day, and may contribute to disturbed neuroendocrine regulation

Circularly polarized microwaves for magnetic resonance study in the GHz range: application to nitrogen-vacancy in diamonds

The ability to create time-dependent magnetic fields of controlled polarization is essential for many experiments with magnetic resonance. We describe a microstrip circuit that allows us to generate strong magnetic field at microwave frequencies with arbitrary adjusted polarization. The circuit performance is demonstrated by applying it to an optically detected magnetic resonance and Rabi nutation experiments in nitrogen-vacancy color centers in diamond. Thanks to high efficiency of the proposed microstrip circuit and degree of circular polarization of 85% it is possible to address the specific spin states of a diamond sample using a low power microwave generator.Comment: 4 pages, 7 figures, nitrogen-vacancy, microwave circular polarization, spin-state addressin

Adaptive Simulation Using Perfect Control Variates

Adaptive Simulation Using Perfect Control Variate

Influence of anisotropic ion shape, asymmetric valency, and electrolyte concentration on structural and thermodynamic properties of an electric double layer

Grand canonical Monte Carlo simulation results are reported for an electric double layer modelled by a planar charged hard wall, anisotropic shape cations, and spherical anions at different electrolyte concentrations and asymmetric valencies. The cations consist of two tangentially tethered hard spheres of the same diameter, $d$. One sphere is charged while the other is neutral. Spherical anions are charged hard spheres of diameter $d$. The ion valency asymmetry 1:2 and 2:1 is considered, with the ions being immersed in a solvent mimicked by a continuum dielectric medium at standard temperature. The simulations are carried out for the following electrolyte concentrations: 0.1, 1.0 and 2.0 M. Profiles of the electrode-ion, electrode-neutral sphere singlet distributions, the average orientation of dimers, and the mean electrostatic potential are calculated for a given electrode surface charge, $\sigma$, while the contact electrode potential and the differential capacitance are presented for varying electrode charge. With an increasing electrolyte concentration, the shape of differential capacitance curve changes from that with a minimum surrounded by maxima into that of a distorted single maximum. For a 2:1 electrolyte, the maximum is located at a small negative $\sigma$ value while for 1:2, at a small positive value.Comment: 10 pages, 6 figure

Double layer for hard spheres with an off-center charge

Simulations for the density and potential profiles of the ions in the planar electrical double layer of a model electrolyte or an ionic liquid are reported. The ions of a real electrolyte or an ionic liquid are usually not spheres; in ionic liquids, the cations are molecular ions. In the past, this asymmetry has been modelled by considering spheres that are asymmetric in size and/or valence (viz., the primitive model) or by dimer cations that are formed by tangentially touching spheres. In this paper we consider spherical ions that are asymmetric in size and mimic the asymmetrical shape through an off-center charge that is located away from the center of the cation spheres, while the anion charge is at the center of anion spheres. The various singlet density and potential profiles are compared to (i) the dimer situation, that is, the constituent spheres of the dimer cation are tangentially tethered, and (ii) the standard primitive model. The results reveal the double layer structure to be substantially impacted especially when the cation is the counterion. As well as being of intrinsic interest, this off-center charge model may be useful for theories that consider spherical models and introduce the off-center charge as a perturbation.Comment: 11 pages, 7 figure

An extended model of the quantum free-electron laser

Previous models of the quantum regime of operation of the Free Electron Laser (QFEL) have performed an averaging and the application of periodic boundary conditions to the coupled Maxwell - Schrodinger equations over short, resonant wavelength intervals of the interaction. Here, an extended, one-dimensional model of the QFEL interaction is presented in the absence of any such averaging or application of periodic boundary conditions, the absence of the latter allowing electron diffusion processes to be modeled throughout the pulse. The model is used to investigate how both the steady-state (CW) and pulsed regimes of QFEL operation are affected. In the steady-state regime it is found that the electrons are confined to evolve as a 2-level system, similar to the previous QFEL models. In the pulsed regime Coherent Spontaneous Emission (CSE) due to the shape of the electron pulse current distribution is shown to be present in the QFEL regime for the first time. However, unlike the classical case, CSE in the QFEL is damped by the effects of quantum diffusion of the electron wavefunction. Electron recoil from the QFEL interaction can also cause a diffusive drift between the recoiled and non-recoiled parts of the electron pulse wavefunction, effectively removing the recoiled part from the primary electron-radiation interaction.Comment: Submitted to Optics Expres

A Spatio-Temporal Point Process Model for Ambulance Demand

Ambulance demand estimation at fine time and location scales is critical for fleet management and dynamic deployment. We are motivated by the problem of estimating the spatial distribution of ambulance demand in Toronto, Canada, as it changes over discrete 2-hour intervals. This large-scale dataset is sparse at the desired temporal resolutions and exhibits location-specific serial dependence, daily and weekly seasonality. We address these challenges by introducing a novel characterization of time-varying Gaussian mixture models. We fix the mixture component distributions across all time periods to overcome data sparsity and accurately describe Toronto's spatial structure, while representing the complex spatio-temporal dynamics through time-varying mixture weights. We constrain the mixture weights to capture weekly seasonality, and apply a conditionally autoregressive prior on the mixture weights of each component to represent location-specific short-term serial dependence and daily seasonality. While estimation may be performed using a fixed number of mixture components, we also extend to estimate the number of components using birth-and-death Markov chain Monte Carlo. The proposed model is shown to give higher statistical predictive accuracy and to reduce the error in predicting EMS operational performance by as much as two-thirds compared to a typical industry practice

Spitzer Microlensing Parallax for OGLE-2016-BLG-1067: A Sub-Jupiter Orbiting an M Dwarf in the Disk

We report the discovery of a sub-Jupiter-mass planet orbiting beyond the snow line of an M dwarf most likely in the Galactic disk as part of the joint Spitzer and ground-based monitoring of planetary microlensing anomalies toward the Galactic bulge. Most of the microlensing parameters are strongly constrained by the light-curve modeling, and in particular there is a Spitzer-based measurement of the microlens parallax, π E. However, there are no caustic crossings, so the angular Einstein radius has only an upper limit based on the light-curve modeling alone. Additionally, the analysis leads us to identify eight degenerate configurations: the fourfold microlensing parallax degeneracy being doubled by a degeneracy in the caustic structure present at the level of the ground-based solutions. To calculate the physical parameters, and at the same time to break the parallax degeneracy, we make use of a series of arguments: the χ 2 hierarchy, the Rich argument (stating that the small-parallax solution is more likely), and a prior Galactic model. The preferred configuration, favored by a likelihood ratio of at least 4000, is for a host at D_L = 3.73^(+0.66)_(-0.67) kpc with mass M_L = 0.30^(+0.15)_(-0.12) M⊙, orbited by a Saturn-like planet with M_(planet) = 0.43^(+0.21)_(-0.17) M_(Jup) at projected separation a = 1.70^(+0.38)_(-0.39) au, about 2.1 times beyond the system snow line. Therefore, it adds to the growing population of sub-Jupiter planets orbiting beyond the snow line of M dwarfs discovered by microlensing. Based on the rules of the real-time protocol for the selection of events to be followed up with Spitzer, this planet will not enter the sample for measuring the Galactic distribution of planets