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At least 37 records · Page 2

On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monolithically integrated self-rolled-up microtube-based vertical coupler for three-dimensional photonic integration

We demonstrate a self-rolled-up microtube-based vertical photonic coupler monolithically integrated on top of a ridge waveguide to achieve three-dimensional (3D) photonic integration. The fabrication process is fully compatible with standard planar silicon processing technology. Strong light coupling between the vertical coupler and the ridge waveguide was observed experimentally, which may provide an alternative route for 3D heterogeneous photonic integration. The highest extinction ratio observed in the transmission spectrum passing through the ridge waveguide was 23 dB.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Improved performance in vertical GaN Schottky diode assisted by AlGaN tunneling barrier

In a vertical GaN Schottky barrier diode, the free electron concentration n in the 6-μm-thick drift layer was found to greatly impact the diode reverse leakage current, which increased from 2.1 × 10{sup −7} A to 3.9 × 10{sup −4} A as n increased from 7.5 × 10{sup 14 }cm{sup −3} to 6.3 × 10{sup 15 }cm{sup −3} at a reverse bias of 100 V. By capping the drift layer with an ultrathin 5-nm graded AlGaN layer, reverse leakage was reduced by more than three orders of magnitude with the same n in the drift layer. We attribute this to the increased Schottky barrier height with the AlGaN at the surface. Meanwhile, the polarization field within the graded AlGaN effectively shortened the depletion depth, which led to the formation of tunneling current at a relatively small forward bias. The turn-on voltage in the vertical Schottky diodes was reduced from 0.77 V to 0.67 V—an advantage in reducing conduction loss in power switching applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Polarimetric Radar Analysis of Ice Microphysical Processes in Melting Layers of Winter Storms Using S-Band Quasi-Vertical Profiles

Quasi-vertical profiles (QVPs) obtained from a database of U.S. WSR-88D data are used to document polarimetric characteristics of the melting layer (ML) in cold-season storms with high vertical resolution and accuracy. A polarimetric technique to define the top and bottom of the ML is first introduced. Using the QVPs, statistical relationships are developed to gain insight into the evolution of microphysical processes above, within, and below the ML, leading to a statistical polarimetric model of the ML that reveals characteristics that reflectivity data alone are not able to provide, particularly in regions of weak reflectivity factor at horizontal polarization Z H . QVP ML statistics are examined for two regimes in the ML data: Z H ≥ 20 dB Z and Z H < 20 dB Z . Regions of Z H ≥ 20 dB Z indicate locations of MLs collocated with enhanced differential reflectivity Z DR and reduced copolar correlation coefficient ρ hv , while for Z H < 20 dB Z a well-defined ML is difficult to discern using Z H alone. Evidence of large Z DR up to 4 dB, backscatter differential phase δ up to 8°, and low ρ hv down to 0.80 associated with lower Z H (from -10 to 20 dB Z ) in the ML is observed when pristine, nonaggregated ice falls through it. Positive correlation is documented between maximum specific differential phase K DP and maximum Z H in the ML; these are the first QVP observations of K DP in MLs documented at S band. Negative correlation occurs between minimum ρ hv in the ML and ML depth and between minimum ρ hv in the ML and the corresponding enhancement of Z H (Δ Z H = Z H max - Z H rain ).

Meteorology & Atmospheric Sciences↗

Vertically Resolved Convective–Stratiform Echo-Type Identification and Convectivity Retrieval for Vertically Pointing Radars

Using data from the airborne HIAPER Cloud Radar (HCR), a partitioning algorithm (ECCO-V) that provides vertically resolved convectivity and convective versus stratiform radar-echo classification is developed for vertically pointing radars. The algorithm is based on the calculation of reflectivity and radial velocity texture fields that measure the horizontal homogeneity of cloud and precipitation features. The texture fields are translated into convectivity, a numerical measure of the convective or stratiform nature of each data point. The convective–stratiform classification is obtained by thresholding the convectivity field. Subcategories of low, mid-, and high stratiform, shallow, mid-, deep, and elevated convective, and mixed echoes are introduced, which are based on the melting-layer and divergence-level altitudes. As the algorithm provides vertically resolved classifications, it is capable of identifying different types of vertically layered echoes, and convective features that are embedded in stratiform cloud layers. Its robustness was tested on data from four HCR field campaigns that took place in different meteorological and climatological regimes. The algorithm was adapted for use in spaceborne and ground-based radars, proving its versatility, as it is adaptable not only to different radar types and wavelengths, but also different research applications.

54 ENVIRONMENTAL SCIENCES↗

How Does Vertical Wind Shear Influence Updraft Characteristics and Hydrometeor Distributions in Supercell Thunderstorms?

Abstract Vertical wind shear is known to affect supercell thunderstorms by displacing updraft hydrometeor mass downshear, thereby facilitating the storms’ longevity. Shear also impacts the size of supercell updrafts, with stronger shear leading to wider, less dilute, and stronger updrafts with likely greater hydrometeor production. To more clearly define the role of shear across different vertical layers on hydrometeor concentrations and displacements relative to supercell updrafts, a suite of idealized numerical model simulations of supercells was conducted. Shear magnitudes were systematically varied across the 0–1, 1–6, and 6–12 km AGL layers, while the thermodynamic environment was held fixed. Simulations show that as shear magnitude increases, especially from 1 to 6 km, updrafts become wider and less dilute with an increase in hydrometeor loading, along with an increase in the low-level precipitation area/rate and total precipitation accumulation. Even with greater updraft hydrometeor loading amid stronger shear, updrafts are more intense in stronger shear simulations due to larger thermal buoyancy owing to wider, less dilute updraft cores. Furthermore, downshear hydrometeor displacements are larger in environments with stronger 1–6-km shear. In contrast, there is relatively less sensitivity of hydrometeor concentrations and displacements to variations in either 0–1- or 6–12-km shear. Results are consistent across free tropospheric relative humidity sensitivity simulations, which show an increase in updraft size and hydrometeor mass with increasing free tropospheric relative humidity owing to a reduction in entrainment-driven dilution for wider updrafts in moister environments. Significance Statement Rotating thunderstorms, known as supercells, are able to persist for multiple hours. One common explanation is that large changes in wind speed and/or direction with height, or shear, transport rain/hail away from supercell updrafts, supporting their maintenance. The strong shear within supercell environments, however, may also lead to greater rail/hail amounts, thereby leading to weaker storms due to this extra mass of water/ice within updrafts. Furthermore, the impact of shear across different height layers on supercell rain/hail characteristics has not been thoroughly investigated. In this study, computer simulations of supercells were conducted to determine that shear occurring between 1 and 6 km above ground level has a large impact on rain/hail distribution in supercells and that stronger shear in this layer leads to wider/stronger supercells with greater rain/hail accumulations at the surface. Additionally, some of the extra mass of water/ice is transported farther away from updrafts due to the stronger environmental storm-relative winds.

Meteorology & Atmospheric Sciences↗

Vertical distribution of structural components in corn stover

In the United States, corn ( Zea mays L.) stover has been targeted for second generation fuel production and other bio-products. Our objective was to characterize sugar and structural composition as a function of vertical distribution of corn stover (leaves and stalk) that was sampled at physiological maturity and about three weeks later from multiple USA locations. A small subset of samples was assessed for thermochemical composition. Concentrations of lignin, glucan, and xylan were about 10% greater at grain harvest than at physiological maturity, but harvestable biomass was about 25% less due to stalk breakage. Gross heating density above the ear averaged 16.3 ± 0.40 MJ kg⁻¹, but with an alkalinity measure of 0.83 g MJ⁻¹, slagging is likely to occur during gasification. Assuming a stover harvest height of 10 cm, the estimated ethanol yield would be >2500 L ha⁻¹, but it would be only 1000 L ha⁻¹ if stover harvest was restricted to the material from above the primary ear. Vertical composition of corn stover is relatively uniform; thus, decision on cutting height may be driven by agronomic, economic and environmental considerations.

09 BIOMASS FUELS↗

Vertical Structure of Radiation-pressure-dominated Thin Disks: Link between Vertical Advection and Convective Stability

In the classic picture of standard thin accretion disks, viscous heating is balanced by radiative cooling through the diffusion process, and the radiation-pressure-dominated inner disk suffers convective instability. However, recent simulations have shown that, owing to the magnetic buoyancy, the vertical advection process can significantly contribute to energy transport. In addition, in comparing the simulation results with the local convective stability criterion, no convective instability has been found. In this work, following on from simulations, we revisit the vertical structure of radiation-pressure-dominated thin disks and include the vertical advection process. Our study indicates a link between the additional energy transport and the convectively stable property. Thus, the vertical advection not only significantly contributes to the energy transport, but it also plays an important role in making the disk convectively stable. Our analyses may help to explain the discrepancy between classic theory and simulations on standard thin disks.

79 ASTRONOMY AND ASTROPHYSICS↗

Large-scale vertical velocity, diabatic heating and drying profiles associated with seasonal and diurnal variations of convective systems observed in the GoAmazon2014/5 experiment

This study describes the characteristics of large-scale vertical velocity, apparent heating source ( Q 1 ) and apparent moisture sink ( Q 2 ) profiles associated with seasonal and diurnal variations of convective systems observed during the two intensive operational periods (IOPs) that were conducted from 15 February to 26 March 2014 (wet season) and from 1 September to 10 October 2014 (dry season) near Manaus, Brazil, during the Green Ocean Amazon (GoAmazon2014/5) experiment. The derived large-scale fields have large diurnal variations according to convective activity in the GoAmazon region and the morning profiles show distinct differences between the dry and wet seasons. In the wet season, propagating convective systems originating far from the GoAmazon region are often seen in the early morning, while in the dry season they are rarely observed. Afternoon convective systems due to solar heating are frequently seen in both seasons. Accordingly, in the morning, there is strong upward motion and associated heating and drying throughout the entire troposphere in the wet season, which is limited to lower levels in the dry season. In the afternoon, both seasons exhibit weak heating and strong moistening in the boundary layer related to the vertical convergence of eddy fluxes. A set of case studies of three typical types of convective systems occurring in Amazonia – i.e., locally occurring systems, coastal-occurring systems and basin-occurring systems – is also conducted to investigate the variability of the large-scale environment with different types of convective systems.

54 ENVIRONMENTAL SCIENCES↗

Aerodynamic Loads at Mach Numbers from 0.70 to 2.22 on an Airplane Model Having a Wing and Canard of Triangular Plan Form and Either Single or Twin Vertical Tails: Tabulated Data for the Model with Twin Vertical Tails - Supplement 2

Tabulated results of a wind-tunnel investigation of the aerodynamic loads on a canard airplane model with twin vertical tails are presented for Mach numbers from 0.70 to 2.22. The Reynolds number for the measurements was 2.9 x 10(exp 6) based on the wing mean aerodynamic chord. The results include local static-pressure coefficients measured on the wing, body, and one of the vertical tails for angles of attack from -4 degrees to 16 degree angles of sideslip of 0 degrees and 5.3 degrees, and nominal canard deflections of O degrees and 10 degrees. Also included are section force and moment coefficients obtained from integrations of the local pressures and model-component force and moment coefficients obtained from integrations of the section coefficients. Geometric details of the model are shown and the locations of the pressure orifices are shown. An index to the data contained herein is presented and definitions of nomenclature are given. Detailed descriptions of the model and experiments and a brief discussion of some of the results are given. Tabulated results of measurements of the aerodynamic loads on the same canard model but having a single vertical tail instead of twin vertical tails are presented.

Peterson, Victor L.↗

Vertical Descent and Landing Tests of a 0.13-Scale Model of the Convair XFY-1 Vertically Rising Airplane in Still Air, TED No. NACA DE 368

An investigation is being conducted to determine the dynamic stability and control characteristics of a 0.13-scale flying model of Convair XFY-1 vertically rising airplane. This paper presents the results of flight and force tests to determine the stability and control characteristics of the model in vertical descent and landings in still air. The tests indicated that landings, including vertical descent from altitudes representing up to 400 feet for the full-scale airplane and at rates of descent up to 15 or 20 feet per second (full scale), can be performed satisfactorily. Sustained vertical descent in still air probably will be more difficult to perform because of large random trim changes that become greater as the descent velocity is increased. A slight steady head wind or cross wind might be sufficient to eliminate the random trim changes.

Smith, Charlee C., Jr.↗

Direct Observation of Ultralow Vertical Emittance using a Vertical Undulator

In recent work, the first quantitative measurements of electron beam vertical emittance using a vertical undulator were presented, with particular emphasis given to ultralow vertical emittances [K. P. Wootton, et al., Phys. Rev. ST Accel. Beams, 17, 112802 (2014)]. Using this apparatus, a geometric vertical emittance of 0.9 ± 0.3 pm rad has been observed. A critical analysis is given of measurement approaches that were attempted, with particular emphasis on systematic and statistical uncertainties. The method used is explained, compared to other techniques and the applicability of these results to other scenarios discussed.

43 PARTICLE ACCELERATORS↗

A data-driven approach to real-time vertical position estimation for NSTX-U vertical stability control

In this paper, a database of 77 996 plasma equilibrium reconstructions from 727 discharges during the initial operation of the NSTX-U spherical tokamak is analyzed to develop a statistically robust model of the plasma vertical position for real-time control. A variety of regression models are developed and tested, ranging in complexity from linear models to deep neural networks, and including input signals ranging from the four pairs of flux loops used historically on NSTX-U up to the full set of 389 real-time signals available to the plasma control system. A linear model based on 140 real-time magnetics signals is found to offer excellent accuracy, with a coefficient of determination R 2 = 0.906. The robustness of this model to limited training data, new operating scenarios, and signal errors is tested, and a procedure is demonstrated to tune the model parameters to optimize its robustness. A time-dependent plasma equilibrium solver, TokaMaker, is used to simulate vertical stability control in NSTX-U, demonstrating that it should be possible to iteratively tune the parameters of a linear vertical position model to stabilize both positive and negative triangularity plasmas in future experiments.

magnetic diagnostics↗

Effect of vertical magnetic field on convection and segregation in vertical Bridgman crystal growth

A previous finite-element analysis of vertical Bridgman growth for dilute and nondilute alloys is extended to include the effect of a vertically-aligned magnetic field in the limit of zero magnetic Reynolds number. Calculations are presented for growth of a dilute gallium-germanium alloy in a vertically stabilized Bridgman-Stockbarger system and in a furnace with a uniform temperature gradient imposed along the ampoule. Steady cellular convection driven by radial temperature gradients causes good axial and radial mixing in both systems without a magnetic field. A weak magnetic field decreases the intensity of convection and the effectiveness of solute mixing. The radial nonuniformity is greatest for an intermediate field strength. Stronger fields suppress flow recirculation completely, and lead to uniform solute segregation across the crystal and to diffusion-controlled axial segregation.

Kim, Do Hyun↗

Observations of the structure and vertical transport of the polar upper ionosphere with the EISCAT VHF radar. II - First investigations of the topside O(+) and H(+) vertical ion flows

EISCAT VHF radar was used to investigate the vertical flows of H(+) and O(+) ions in the topside high-latitude ionosphere. The radar transmitted a single long pulse to probe the ionosphere from 300 to 1200 km altitude. A calculation scheme is developed to deduce the H(+) drift velocity from the coupled momentum equations of H(+), O(+), and the electrons, using the radar data and a neutral atmosphere model. The H(+) vertical drift velocity was expressed as a linear combination of the different forces acting on the plasma. Two nights, one very quiet, one with moderate magnetic activity, were used to test the technique and to provide a first study of the morphology and orders of magnitudes of ion outflow fluxes over Tromso. O(+) vertical flows were found to be downward or close to zero most of the time in the topside ionosphere; they appeared to be strongly correlated with magnetic activity during the disturbed night. H(+) topside ion fluxes were always directed upward, with velocity reaching 500-1000 m/s. A permanent outflow of H(+) ions is inferred.

Wu, Jian↗