The visible spectrum of zirconium dioxide, ZrO2

The electronic spectrum of a cold molecular beam of zirconium dioxide, ZrO2, has been investigated using laser induced fluorescence (LIF) in the region from 17 000 cm−1 to 18 800 cm−1 and by mass-resolved resonance enhanced multi-photon ionization (REMPI) spectroscopy from 17 000 cm−1–21 000 cm−1. The LIF and REMPI spectra are assigned to progressions in the ÃB21(ν1, ν2, ν3) ← X̃A11(0, 0, 0) transitions. Dispersed fluorescence from 13 bands was recorded and analyzed to produce harmonic vibrational parameters for the X̃A11 state of ω1 = 898(1) cm−1, ω2 = 287(2) cm−1, and ω3 = 808(3) cm−1. The observed transition frequencies of 45 bands in the LIF and REMPI spectra produce origin and harmonic vibrational parameters for the ÃB21 state of Te = 16 307(8) cm−1, ω1 = 819(3) cm−1, ω2 = 149(3) cm−1, and ω3 = 518(4) cm−1. The spectra were modeled using a normal coordinate analysis and Franck-Condon factor predictions. The structures, harmonic vibrational frequencies, and the potential energies as a function of bending angle for the ÃB21 and X̃A11 states are predicted using time-dependent density functional theory, complete active space self-consistent field, and related first-principle calculations. A comparison with isovalent TiO2 is made

Speculations on Primordial Magnetic Helicity

We speculate that above or just below the electroweak phase transition magnetic fields are generated which have a net helicity (otherwise said, a Chern-Simons term) of order of magnitude $N_B + N_L$, where $N_{B,L}$ is the baryon or lepton number today. (To be more precise requires much more knowledge of B,L-generating mechanisms than we currently have.) Electromagnetic helicity generation is associated (indirectly) with the generation of electroweak Chern-Simons number through B+L anomalies. This helicity, which in the early universe is some 30 orders of magnitude greater than what would be expected from fluctuations alone in the absence of B+L violation, should be reasonably well-conserved through the evolution of the universe to around the times of matter dominance and decoupling, because the early universe is an excellent conductor. Possible consequences include early structure formation; macroscopic manifestations of CP violation in the cosmic magnetic field (measurable at least in principle, if not in practice); and an inverse-cascade dynamo mechanism in which magnetic fields and helicity are unstable to transfer to larger and larger spatial scales. We give a quasi-linear treatment of the general-relativistic MHD inverse cascade instability, finding substantial growth for helicity of the assumed magnitude out to scales $\sim l_M\epsilon^{-1}$, where $\epsilon$ is roughly the B+L to photon ratio and $l_M$ is the magnetic correlation length. We also elaborate further on an earlier proposal of the author for generation of magnetic fields above the EW phase transition.Comment: Latex, 23 page

Coherent Matter Wave Transport in Speckle Potentials

This article studies multiple scattering of matter waves by a disordered optical potential in two and in three dimensions. We calculate fundamental transport quantities such as the scattering mean free path $\ell_s$, the Boltzmann transport mean free path \elltrb, and the Boltzmann diffusion constant $D_B$, using a diagrammatic Green functions approach. Coherent multiple scattering induces interference corrections known as weak localization which entail a reduced diffusion constant. We derive the corresponding expressions for matter wave transport in an correlated speckle potential and provide the relevant parameter values for a possible experimental study of this coherent transport regime, including the critical crossover to the regime of strong or Anderson localization.Comment: 33 pages, minor corrections, published versio

Evidence and Ideology in Macroeconomics: The Case of Investment Cycles

The paper reports the principal findings of a long term research project on the description and explanation of business cycles. The research strongly confirmed the older view that business cycles have large systematic components that take the form of investment cycles. These quasi-periodic movements can be represented as low order, stochastic, dynamic processes with complex eigenvalues. Specifically, there is a fixed investment cycle of about 8 years and an inventory cycle of about 4 years. Maximum entropy spectral analysis was employed for the description of the cycles and continuous time econometrics for the explanatory models. The central explanatory mechanism is the second order accelerator, which incorporates adjustment costs both in relation to the capital stock and the rate of investment. By means of parametric resonance it was possible to show, both theoretically and empirically how cycles aggregate from the micro to the macro level. The same mathematical tool was also used to explain the international convergence of cycles. I argue that the theory of investment cycles was abandoned for ideological, not for evidential reasons. Methodological issues are also discussed

Sociological and Human Developmental Explanations of Crime: Conflict or Consensus

This paper examines multidisciplinary correlates of delinquency in an attempt to integrate sociological and environmental theories of crime with human developmental and biological explanations of crime. Structural equation models are applied to assess links among biological, psychological, and environmental variables collected prospectively from birth through age 17 on a sample of 800 black children at high risk for learning and behavioral disorders. Results show that for both males and females, aggression and disciplinary problems in school during adolescence are the strongest predictors of repeat offense behavior. Whereas school achievement and family income and stability are also significant predictors of delinquency for males, early physical development is the next strongest predictor for females. Results indicate that some effects on delinquency also vary during different ages. It is suggested that behavioral and learning disorders have both sociological and developmental correlates and that adequate educational resources are necessary to ensure channels of legitimate opportunities for high-risk youths

The Impact of HAART on the Respiratory Complications of HIV Infection: Longitudinal Trends in the MACS and WIHS Cohorts

Objective: To review the incidence of respiratory conditions and their effect on mortality in HIV-infected and uninfected individuals prior to and during the era of highly active antiretroviral therapy (HAART). Design: Two large observational cohorts of HIV-infected and HIV-uninfected men (Multicenter AIDS Cohort Study [MACS]) and women (Women's Interagency HIV Study [WIHS]), followed since 1984 and 1994, respectively. Methods: Adjusted odds or hazards ratios for incident respiratory infections or non-infectious respiratory diagnoses, respectively, in HIV-infected compared to HIV-uninfected individuals in both the pre-HAART (MACS only) and HAART eras; and adjusted Cox proportional hazard ratios for mortality in HIV-infected persons with lung disease during the HAART era. Results: Compared to HIV-uninfected participants, HIV-infected individuals had more incident respiratory infections both pre-HAART (MACS, odds ratio [adjusted-OR], 2.4; 95% confidence interval [CI], 2.2-2.7; p<0.001) and after HAART availability (MACS, adjusted-OR, 1.5; 95%CI 1.3-1.7; p<0.001; WIHS adjusted-OR, 2.2; 95%CI 1.8-2.7; p<0.001). Chronic obstructive pulmonary disease was more common in MACS HIV-infected vs. HIV-uninfected participants pre-HAART (hazard ratio [adjusted-HR] 2.9; 95%CI, 1.02-8.4; p = 0.046). After HAART availability, non-infectious lung diseases were not significantly more common in HIV-infected participants in either MACS or WIHS participants. HIV-infected participants in the HAART era with respiratory infections had an increased risk of death compared to those without infections (MACS adjusted-HR, 1.5; 95%CI, 1.3-1.7; p<0.001; WIHS adjusted-HR, 1.9; 95%CI, 1.5-2.4; p<0.001). Conclusion: HIV infection remained a significant risk for infectious respiratory diseases after the introduction of HAART, and infectious respiratory diseases were associated with an increased risk of mortality. © 2013 Gingo et al

Editorial Message

We compare a range of computational methods for the prediction of sublimation thermodynamics (enthalpy, entropy and free energy of sublimation). These include a model from theoretical chemistry that utilizes crystal lattice energy minimization (with the DMACRYS program) and QSPR models generated by both machine learning (Random Forest and Support Vector Machines) and regression (Partial Least Squares) methods. Using these methods we investigate the predictability of the enthalpy, entropy and free energy of sublimation, with consideration of whether such a method may be able to improve solubility prediction schemes. Previous work has suggested that the major source of error in solubility prediction schemes involving a thermodynamic cycle via the solid state is in the modeling of the free energy change away from the solid state. Yet contrary to this conclusion other work has found that the inclusion of terms such as the enthalpy of sublimation in QSPR methods does not improve the predictions of solubility. We suggest the use of theoretical chemistry terms, detailed explicitly in the methods section, as descriptors for the prediction of the enthalpy and free energy of sublimation. A dataset of 158 molecules with experimental sublimation thermodynamics values and some CSD refcodes has been collected from the literature and is provided with their original source references