The theoretical DFT study of electronic structure of thin Si/SiO2 quantum nanodots and nanowires

The atomic and electronic structure of a set of proposed thin (1.6 nm in diameter) silicon/silica quantum nanodots and nanowires with narrow interface, as well as parent metastable silicon structures (1.2 nm in diameter), was studied in cluster and PBC approaches using B3LYP/6-31G* and PW PP LDA approximations. The total density of states (TDOS) of the smallest quasispherical silicon quantum dot (Si85) corresponds well to the TDOS of the bulk silicon. The elongated silicon nanodots and 1D nanowires demonstrate the metallic nature of the electronic structure. The surface oxidized layer opens the bandgap in the TDOS of the Si/SiO2 species. The top of the valence band and the bottom of conductivity band of the particles are formed by the silicon core derived states. The energy width of the bandgap is determined by the length of the Si/SiO2 clusters and demonstrates inverse dependence upon the size of the nanostructures. The theoretical data describes the size confinement effect in photoluminescence spectra of the silica embedded nanocrystalline silicon with high accuracy.Comment: 22 pages, 5 figures, 1 tabl

Impacts on cloud radiative effects induced by coexisting aerosols converted from international shipping and maritime DMS emissions

International shipping emissions (ISE), particularly sulfur dioxide, can influence the global radiation budget by interacting with clouds and radiation after being oxidized into sulfate aerosols. A better understanding of the uncertainties in estimating the cloud radiative effects (CREs) of ISE is of great importance in climate science. Many international shipping tracks cover oceans with substantial natural dimethyl sulfide (DMS) emissions. The interplay between these two major aerosol sources on CREs over vast oceanic regions with a relatively low aerosol concentration is an intriguing yet poorly addressed issue confounding estimation of the CREs of ISE. Using an Earth system model including two aerosol modules with different aerosol mixing configurations, we derive a significant global net CRE of ISE (−0.153 W m−2 with a standard error of ±0.004 W m−2) when using emissions consistent with current ship emission regulations. This global net CRE would become much weaker and actually insignificant (−0.001 W m−2 standard error of ±0.007 W m−2) if a more stringent regulation were adopted. We then reveal that the ISE-induced CRE would achieve a significant enhancement when a lower DMS emission is prescribed in the simulations, owing to the sublinear relationship between aerosol concentration and cloud response. In addition, this study also demonstrates that the representation of certain aerosol processes, such as mixing states, can influence the magnitude and pattern of the ISE-induced CRE. These findings suggest a reevaluation of the ISE-induced CRE with consideration of DMS variability

A FIRE-ACE/SHEBA Case Study of Mixed-Phase Arctic Boundary Layer Clouds: Entrainment Rate Limitations on Rapid Primary Ice Nucleation Processes

Observations of long-lived mixed-phase Arctic boundary layer clouds on 7 May 1998 during the First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE)Arctic Cloud Experiment (ACE)Surface Heat Budget of the Arctic Ocean (SHEBA) campaign provide a unique opportunity to test understanding of cloud ice formation. Under the microphysically simple conditions observed (apparently negligible ice aggregation, sublimation, and multiplication), the only expected source of new ice crystals is activation of heterogeneous ice nuclei (IN) and the only sink is sedimentation. Large-eddy simulations with size-resolved microphysics are initialized with IN number concentration N(sub IN) measured above cloud top, but details of IN activation behavior are unknown. If activated rapidly (in deposition, condensation, or immersion modes), as commonly assumed, IN are depleted from the well-mixed boundary layer within minutes. Quasi-equilibrium ice number concentration N(sub i) is then limited to a small fraction of overlying N(sub IN) that is determined by the cloud-top entrainment rate w(sub e) divided by the number-weighted ice fall speed at the surface v(sub f). Because w(sub c) 10 cm/s, N(sub i)/N(sub IN)<< 1. Such conditions may be common for this cloud type, which has implications for modeling IN diagnostically, interpreting measurements, and quantifying sensitivity to increasing N(sub IN) (when w(sub e)/v(sub f)< 1, entrainment rate limitations serve to buffer cloud system response). To reproduce observed ice crystal size distributions and cloud radar reflectivities with rapidly consumed IN in this case, the measured above-cloud N(sub IN) must be multiplied by approximately 30. However, results are sensitive to assumed ice crystal properties not constrained by measurements. In addition, simulations do not reproduce the pronounced mesoscale heterogeneity in radar reflectivity that is observed

Effective radiative forcing in the aerosol–climate model CAM5.3-MARC-ARG

Abstract We quantify the effective radiative forcing (ERF) of anthropogenic aerosols modelled by the aerosol–climate model CAM5.3-MARC-ARG. CAM5.3-MARC-ARG is a new configuration of the Community Atmosphere Model version 5.3 (CAM5.3) in which the default aerosol module has been replaced by the two-Moment, Multi-Modal, Mixing-state-resolving Aerosol model for Research of Climate (MARC). CAM5.3-MARC-ARG uses the ARG aerosol-activation scheme, consistent with the default configuration of CAM5.3. We compute differences between simulations using year-1850 aerosol emissions and simulations using year-2000 aerosol emissions in order to assess the radiative effects of anthropogenic aerosols. We compare the aerosol lifetimes, aerosol column burdens, cloud properties, and radiative effects produced by CAM5.3-MARC-ARG with those produced by the default configuration of CAM5.3, which uses the modal aerosol module with three log-normal modes (MAM3), and a configuration using the modal aerosol module with seven log-normal modes (MAM7). Compared with MAM3 and MAM7, we find that MARC produces stronger cooling via the direct radiative effect, the shortwave cloud radiative effect, and the surface albedo radiative effect; similarly, MARC produces stronger warming via the longwave cloud radiative effect. Overall, MARC produces a global mean net ERF of −1.79±0.03 W m−2, which is stronger than the global mean net ERF of −1.57±0.04 W m−2 produced by MAM3 and −1.53±0.04 W m−2 produced by MAM7. The regional distribution of ERF also differs between MARC and MAM3, largely due to differences in the regional distribution of the shortwave cloud radiative effect. We conclude that the specific representation of aerosols in global climate models, including aerosol mixing state, has important implications for climate modelling

Extreme kinematic misalignment in IllustrisTNG galaxies: the origin, structure and internal dynamics of galaxies with a large-scale counterrotation

Modern galaxy formation theory suggests that the misalignment between stellar and gaseous components usually results from an external gas accretion and/or interaction with other galaxies. The extreme case of the kinematic misalignment is demonstrated by so-called galaxies with counterrotation that possess two distinct components rotating in opposite directions with respect to each other. We provide an in-deep analysis of galaxies with counterrotation from IllustrisTNG100 cosmological simulations. We have found $25$ galaxies with substantial stellar counterrotation in the stellar mass range of $2\times10^{9}-3\times10^{10}$~\Msun. In our sample the stellar counterrotation is a result of an external gas infall happened $\approx 2-8$~Gyr ago. The infall leads to the initial removal of pre-existing gas, which is captured and mixed together with the infalling component. The gas mixture ends up in the counterrotating gaseous disc. We show that $\approx 90\%$ of the stellar counterrotation formed in-situ, in the counterrotating gas. During the early phases of the infall, gas can be found in inclined extended and rather thin disc-like structures, and in some galaxies they are similar to (nearly-)~polar disc or ring-like structures. We discuss a possible link between the gas infall, AGN activity and the formation of misaligned components. In particular, we suggest that the AGN activity does not cause the counterrotation, although it is efficiently triggered by the retrograde gas infall, and it correlates well with the misaligned component appearance. We also find evidence of the stellar disc heating visible as an increase of the vertical-to-radial velocity dispersion ratio above unity in both co- and counterrotating components, which implies the importance of the kinematical misalignment in shaping the velocity ellipsoids in disc galaxies.Comment: 20 pages, 20 figures, accepted for publication in MNRA

Hedge fund return predictability; To combine forecasts or combine information?

While the majority of the predictability literature has been devoted to the predictability of traditional asset classes, the literature on the predictability of hedge fund returns is quite scanty. We focus on assessing the out-of-sample predictability of hedge fund strategies by employing an extensive list of predictors. Aiming at reducing uncertainty risk associated with a single predictor model, we first engage into combining the individual forecasts. We consider various combining methods ranging from simple averaging schemes to more sophisticated ones, such as discounting forecast errors, cluster combining and principal components combining. Our second approach combines information of the predictors and applies kitchen sink, bootstrap aggregating (bagging), lasso, ridge and elastic net specifications. Our statistical and economic evaluation findings point to the superiority of simple combination methods. We also provide evidence on the use of hedge fund return forecasts for hedge fund risk measurement and portfolio allocation. Dynamically constructing portfolios based on the combination forecasts of hedge funds returns leads to considerably improved portfolio performance

Nepal Ambient Monitoring and Source Testing Experiment (NAMaSTE): Emissions of particulate matter and sulfur dioxide from vehicles and brick kilns and their impacts on air quality in the Kathmandu Valley, Nepal

Air pollution is one of the most pressing environmental issues in the Kathmandu Valley, where the capital city of Nepal is located. We estimated emissions from two of the major source types in the valley (vehicles and brick kilns) and analyzed the corresponding impacts on regional air quality. First, we estimated the on-road vehicle emissions in the valley using the International Vehicle Emissions (IVE) model with local emissions factors and the latest available data for vehicle registration. We also identified the locations of the brick kilns in the Kathmandu Valley and developed an emissions inventory for these kilns using emissions factors measured during the Nepal Ambient Monitoring and Source Testing Experiment (NAMaSTE) field campaign in April 2015. Our results indicate that the commonly used global emissions inventory, the Hemispheric Transport of Air Pollution (HTAP_v2.2), underestimates particulate matter emissions from vehicles in the Kathmandu Valley by a factor greater than 100. HTAP_v2.2 does not include the brick sector and we found that our sulfur dioxide (SO2) emissions estimates from brick kilns are comparable to 70 % of the total SO2 emissions considered in HTAP_v2.2. Next, we simulated air quality using the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) for April 2015 based on three different emissions scenarios: HTAP only, HTAP with updated vehicle emissions, and HTAP with both updated vehicle and brick kilns emissions. Comparisons between simulated results and observations indicate that the model underestimates observed surface elemental carbon (EC) and SO2 concentrations under all emissions scenarios. However, our updated estimates of vehicle emissions significantly reduced model bias for EC, while updated emissions from brick kilns improved model performance in simulating SO2. These results highlight the importance of improving local emissions estimates for air quality modeling. We further find that model overestimation of surface wind leads to underestimated air pollutant concentrations in the Kathmandu Valley. Future work should focus on improving local emissions estimates for other major and underrepresented sources (e.g., crop residue burning and garbage burning) with a high spatial resolution, as well as the model\u27s boundary layer representation, to capture strong spatial gradients of air pollutant concentrations