Wannier-based calculation of the orbital magnetization in crystals

We present a first-principles scheme that allows the orbital magnetization of a magnetic crystal to be evaluated accurately and efficiently even in the presence of complex Fermi surfaces. Starting from an initial electronic-structure calculation with a coarse ab initio k-point mesh, maximally localized Wannier functions are constructed and used to interpolate the necessary k-space quantities on a fine mesh, in parallel to a previously-developed formalism for the anomalous Hall conductivity [X.Wang, J. Yates, I. Souza, and D. Vanderbilt, Phys. Rev. B 74, 195118 (2006)]. We formulate our new approach in a manifestly gauge-invariant manner, expressing the orbital magnetization in terms of traces over matrices in Wannier space. Since only a few (e.g., of the order of 20) Wannier functions are typically needed to describe the occupied and partially occupied bands, these Wannier matrices are small, which makes the interpolation itself very efficient. The method has been used to calculate the orbital magnetization of bcc Fe, hcp Co, and fcc Ni. Unlike an approximate calculation based on integrating orbital currents inside atomic spheres, our results nicely reproduce the experimentally measured ordering of the orbital magnetization in these three materials.Comment: 13 pages, 3 figures, 4 table

Detection of Anomalous Microwave Emission in the Pleiades Reflection Nebula with WMAP and the COSMOSOMAS Experiment

We present evidence for anomalous microwave emission (AME) in the Pleiades reflection nebula, using data from the seven-year release of the Wilkinson Microwave Anisotropy Probe (WMAP) and from the COSMOSOMAS experiment. The flux integrated in a 1-degree radius around R.A.=56.24^{\circ}, Dec.=23.78^{\circ} (J2000) is 2.15 +/- 0.12 Jy at 22.8 GHz, where AME is dominant. COSMOSOMAS data show no significant emission, but allow to set upper limits of 0.94 and 1.58 Jy (99.7% C.L.) respectively at 10.9 and 14.7 GHz, which are crucial to pin down the AME spectrum at these frequencies, and to discard any other emission mechanisms which could have an important contribution to the signal detected at 22.8 GHz. We estimate the expected level of free-free emission from an extinction-corrected H-alpha template, while the thermal dust emission is characterized from infrared DIRBE data and extrapolated to microwave frequencies. When we deduct the contribution from these two components at 22.8 GHz the residual flux, associated with AME, is 2.12 +/- 0.12 Jy (17.7-sigma). The spectral energy distribution from 10 to 60 GHz can be accurately fitted with a model of electric dipole emission from small spinning dust grains distributed in two separated phases of molecular and atomic gas, respectively. The dust emissivity, calculated by correlating the 22.8 GHz data with 100-micron data, is found to be 4.36+/-0.17 muK/MJy/sr, a value that is rather low compared with typical values in dust clouds. The physical properties of the Pleiades nebula indicate that this is indeed a much less opaque object than others were AME has usually been detected. This fact, together with the broad knowledge of the stellar content of this region, provides an excellent testbed for AME characterization in physical conditions different from those generally explored up to now.Comment: Accepted for publication in ApJ. 12 pages, 8 figure

Active materials for adaptive architectural envelopes based on plant adaptation principles

In this paper, the authors present research into adaptive architectural envelopes that adapt to environmental changes using active materials, as a result of application of biomimetic principles from plants to architecture. Buildings use large amounts of energy in order to maintain their internal comfort, because conventional buildings are designed to provide a static design solution. Most of the current solutions for facades are not designed for optimum adaptation to contextual issues and needs, while biological solutions to adaptation are often complex, multi-functional and highly responsive. We focus on plant adaptations to the environment, as, due to their immobility, they have developed special means of protection against weather changing conditions. Furthermore, recent developments in new technologies are allowing the possibility to transfer these plant adaptation strategies to technical implementation. These technologies include: multi-material 3D printing, advances in materials science and new capabilities in simulation software. Unlike traditional mechanical activation used for dynamic systems in kinetic facades, adaptive architectural envelopes require no complex electronics, sensors, or actuators. The paper proposes a research of the relationship that can be developed between active materials and environmental issues in order to propose innovative and low-tech design strategies to achieve living envelopes according to plant adaptation principles

Investigating Sources of Variability and Error in Simulations of Carbon Dioxide in an Urban Region

Greenhouse gas (GHG) emissions estimation methods that use atmospheric trace gas observations, including inverse modeling techniques, perform better when carbon dioxide (CO2) fluxes are more accurately transported and dispersed in the atmosphere by a numerical model. In urban areas, transport and dispersion is particularly difficult to simulate using current mesoscale meteorological models due, in part, to added complexity from surface heterogeneity and fine spatial/temporal scales. It is generally assumed that the errors in GHG estimation methods in urban areas are dominated by errors in transport and dispersion. Other significant errors include, but are not limited to, those from assumed emissions magnitude and spatial distribution. To assess the predictability of simulated trace gas mole fractions in urban observing systems using a numerical weather prediction model, we employ an Eulerian model that combines traditional meteorological variables with multiple passive tracers of atmospheric CO2 from anthropogenic inventories and a biospheric model. The predictability of the Eulerian model is assessed by comparing simulated atmospheric CO2 mole fractions to observations from four in situ tower sites (three urban and one rural) in the Washington DC/Baltimore, MD area for February 2016. Four different gridded fossil fuel emissions inventories along with a biospheric flux model are used to create an ensemble of simulated atmospheric CO2 observations within the model. These ensembles help to evaluate whether the modeled observations are impacted more by the underlying emissions or transport. The spread of modeled observations using the four emission fields indicates the model's ability to distinguish between the different inventories under various meteorological conditions. Overall, the Eulerian model performs well; simulated and observed average CO2 mole fractions agree within 1% when averaged at the three urban sites across the month. However, there can be differences greater than 10% at any given hour, which are attributed to complex meteorological conditions rather than differences in the inventories themselves. On average, the mean absolute error of the simulated compared to actual observations is generally twice as large as the standard deviation of the modeled mole fractions across the four emission inventories. This result supports the assumption, in urban domains, that the predicted mole fraction error relative to observations is dominated by errors in model meteorology rather than errors in the underlying fluxes in winter months. As such, minimizing errors associated with atmospheric transport and dispersion may help improve the performance of GHG estimation models more so than improving flux priors in the winter months. We also find that the errors associated with atmospheric transport in urban domains are not restricted to certain times of day. This suggests that atmospheric inversions should use CO2 observations that have been filtered using meteorological observations rather than assuming that meteorological modeling is most accurate at certain times of day (such as using only mid-afternoon observations)

Brown Dwarfs in the Pleiades Cluster Confirmed by the Lithium Test

We present 10 m Keck spectra of the two Pleiades brown dwarfs Teide 1 and Calar 3 showing a clear detection of the 670.8 nm Li resonance line. In Teide 1, we have also obtained evidence for the presence of the subordinate line at 812.6 nm. A high Li abundance (log N(Li) >= 2.5), consistent with little if any depletion, is inferred from the observed lines. Since Pleiades brown dwarfs are unable to burn Li the significant preservation of this fragile element confirms the substellar nature of our two objects. Regardless of their age, their low luminosities and Li content place Teide 1 and Calar 3 comfortably in the genuine brown dwarf realm. Given the probable age of the Pleiades cluster, their masses are estimated at 55 +- 15 Jupiter masses.Comment: 14 pages gzipped and uuencoded. Figures are included. Also available at http://www.iac.es/. Accepted for publication in ApJ Letter

Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions

The new chiral TTF-based donor molecule bis(2-hydroxypropylthio)ethylenedithiotetrathiafulvalene has produced enantiopure R,R and S,S radical cation salts with the tetrafluoroborate anion as well as the nearly isostructural meso/racemate mixture. The enantiopure R,R or S,S salts are both 1:1 semiconducting salts with activation energies of 0.19–0.24 eV, both crystallising in the orthorhombic space group C2221. The semiconducting salt containing both meso and racemic donor cations has a very similar crystal structure but crystallising in the monoclinic space group C2/c (β = 91.39°) with similar S⋯S interactions but a smaller activation energy of 0.15–0.17 eV. This is in contrast to previous families of this type where the disordered racemate has a larger activation energy than its enantiopure salts

Analysis of Swine Movements in a Province in Northern Vietnam and Application in the Design of Surveillance Strategies for Infectious Diseases

While swine production is rapidly growing in South-East Asia, the structure of the swine industry and the dynamic of pig movements have not been well-studied. However, this knowledge is a prerequisite for understanding the dynamic of disease transmission in swine populations and designing cost-effective surveillance strategies for infectious diseases. In this study, we assessed the farming and trading practices in the Vietnamese swine familial farming sector, which accounts for most pigs in Vietnam, and for which disease surveillance is a major challenge. Farmers from two communes of a Red River Delta Province (northern Vietnam) were interviewed, along with traders involved in pig transactions. Major differences in the trade structure were observed between the two communes. One commune had mainly transversal trades, that is between farms of equivalent sizes, whereas the other had pyramidal trades, that is from larger to smaller farms. Companies and large familial farrow-to-finish farms were likely to act as major sources of disease spread through pig sales, demonstrating their importance for disease control. Familial fattening farms with high pig purchases were at greater risk of disease introduction and should be targeted for disease detection as part of a risk-based surveillance. In contrast, many other familial farms were isolated or weakly connected to the swine trade network limiting their relevance for surveillance activities. However, some of these farms used boar hiring for breeding, increasing the risk of disease spread. Most familial farms were slaughtering pigs at the farm or in small local slaughterhouses, making the surveillance at the slaughterhouse inefficient. In terms of spatial distribution of the trades, the results suggested that northern provinces were highly connected and showed some connection with central and southern provinces. These results are useful to develop risk-based surveillance protocols for disease detection in the swine familial sector and to make recommendations for disease control. (Résumé d'auteur

Radical-cation salt with novel BEDT-TTF packing motif containing tris(oxalato)germanate(IV)

The synthesis, crystal structure and resistivity of a new semiconducting BEDT-TTF radical-cation salt containing the tris(oxalato)germanate(IV) anion is reported. BEDT-TTF4[Ge(C2O4)3].0.5dichloromethane crystallizes in the space group P21/c, a = 18.322(7), b = 11.919(4), c = 32.746(11) Å, β = 105.797(5)°, V = 6881(4) Å3, T = 295(1) K, Z = 4. Electrical resistivity measurements show that BEDT-TTF4[Ge(C2O4)3].0.5dichloromethane is a semiconductor with an activation energy of 0.224 eV and room temperature resistivity of 212 Ω cm