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At least 1,225 records · Page 68

High temperature stability and transport characteristics of hydrogen in alumina via multiscale computation

Here, the impact of hydrogen charge states on the stability and transport characteristics of hydrogen interstitials in alumina polymorphs is evaluated by multiscale computational methods including density functional theory (DFT), ab initio molecular dynamics (AIMD) and machine learned force fields. Thermodynamic calculations show that the protonic H i +1 interstitial is the most stable defect species for most values of the electronic bandgap in both and amorphous alumina (Al 2 O 3 ). Further, active learned Gaussian approximation potentials (GAP) were developed using AIMD data to study temperature dependent long time proton diffusion in alumina. Diffusivity calculations from GAP-MD simulations are found to be comparable with of the AIMD data, while being ~340 times faster and scalable to larger systems. Comparisons with diffusivity values for other interstitial charge states (H i 0 and H i -1 ) and published experimental literature indicate that H i +1 diffusion is the likely mechanism of hydrogen transport. A good agreement is obtained between H i +1 diffusivity calculated in α-Al 2 O 3 from DFT: 5.05 10 -3 exp(-0.81 eV/k B /T) cm 2 /s and reported experiment: 9.7X10 -4 exp(-0.83 eV/k B /T) cm 2 /s. Computationally and experimentally calculated energy barriers (0.81 and 0.83 eV respectively) only differ by 2.5%. Similarly, the pre-exponential diffusion coefficients only differ by 0.5 orders of magnitude. Moreover, the diffusivity of H i +1 in amorphous Al 2 O 3 in the 1000–2000 K range is calculated to be 2.53X10 -2 exp(-0.89 eV/k B /T), just one order of magnitude higher than the corresponding value in α-Al 2 O 3 . This suggests that local structural disorder does not significantly affect the energy landscape and diffusion behavior of H i +1 in Al 2 O 3 . Overall, these results show promise for the application of alumina polymorphs as hydrogen permeation barriers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Photochemistry of Triton's Atmosphere and Ionosphere

The photochemistry of 32 neutral and 21 ion species in Triton's atmosphere is considered. Parent species N2, CH4, and CO (with a mixing ratio of 3 x 10(exp -4) in our basic model) sublime from the ice with rates of 40, 208, and 0.3 g/sq cm/b.y., respectively. Chemistry below 50 km is driven mostly by photolysis of methane by the solar and interstellar medium Lyman-alpha photons, producing hydrocarbons C2H4, C2H6, and C2H2 which form haze particles with precipitation rates of 135, 28, and 1.3 g/sq cm/b.y., respectively. Some processes are discussed which increase the production of HCN (by an order of magnitude to a value of 29 g/sq cm/b.y.) and involve indirect photolysis of N2 by neutrals. Reanalysis of the measured methane profiles gives an eddy diffusion coefficient K = 4 x 10(exp 3)sq cm/s above the tropopause and a more accurate methane number density near the surface, (3.1 +/- 0.8)x IO(exp 11)/cu cm. Chemistry above 200 km is driven by the solar EUV radiation (lambda less than 1000 A) and by precipitation of magnetospheric electrons with a total energy input of 10(exp 8) W (based on thermal balance calculations). The most abundant photochemical species are N, H2, H, 0, and C. They escape with the total rates of 7.7 x 10(exp 24)/ s, 4.5 x 10(exp 25)/s, 2.4 x 10(exp 25)/s, 4.4 x 10(exp 22)/s, and 1.1 x 10(exp 24), respectively. Atomic species are transported to a region of 50-200 km and drive the chemistry there. Ionospheric chemistry explains the formation of an E region at 150-240 km with HCO(+) as a major ion, and of an F region above 240 km with a peak at 320 km and C(+) as a major ion. The ionosphere above 500 km consists of almost equal densities of C(+) and N(+) ions. The model profiles agree with the measured atomic nitrogen and electron density profiles. A number of other models with varying rate coefficients of some reactions, differing properties of the haze particles (chemically passive or active), etc., were developed. These models show that there are four basic unknown values which have strong impacts on the composition and structure of the atmosphere and ionosphere. These values and their plausible ranges are the CO mixing ratio f(sub co) = 10(exp -4) - 10(exp -3), the magnetospheric electron energy input (1 +/- 0.5) x 10(exp 8) W, the rate coefficient of charge-exchange reaction N2(+) + C(kappa) = 10(exp -11) - 10(exp -10)cu cm/s, and the ion escape velocity upsilon(sub i) approx. equals 150 cm/s.

Krasnopolsky, Vladimir A.↗

A short account of thermoelectric film characterization techniques

Thermoelectric films and periodic structures have particularly intriguing electrical and thermal transport features due to their low dimensionality. As a result, they have piqued the attention of researchers from across the spectrum of disciplines. Their applications span from cooling fast CPUs to providing energy for wearable devices. The progress in the techniques for synthesizing TE materials and fabricating thin films has facilitated the emergence of a flourishing research domain in the field of electrical and thermal transport at the nanoscale. Further, a significant proportion of contemporary electronic, opto-electronic, and solar energy components are composed of materials featuring numerous interfaces and nanoscale contacts. Consequently, it is imperative to explore the thermal energy transfer and charge carrier transport across the films with thickness dimensions in the nanometer range. The development of cutting-edge approaches for grasping complicated processes at the nanoscale is critical. This review provides a concise overview of the prevalent methodologies developed over the last two decades and employed for the characterization of the Seebeck coefficient and electrical and thermal conductivity of thermoelectric films.

36 MATERIALS SCIENCE↗

Eddy diffusion coefficient for the atmosphere of Venus from radio scintillation measurements

Estimates are obtained of the vertical mass eddy diffusion coefficient of the Venus atmosphere in the region of turbulence near 60 km on the basis of radio scintillations observed during radio occultation by the atmosphere. The structure constant estimated from Pioneer Venus orbit 18 entrance radio occultation measurements is used, under the assumption that the turbulence is generated by wind-shear, to derive a value of 40,000 sq cm/sec for the vertical mass eddy diffusion coefficient, together with an energy dissipation rate of 20 sq cm/sec and a temperature fluctuation dissipation rate of 0.001 K-squared/sec. Results are noted to fall within the range measured for the earth's troposphere, however, indicate that small-scale turbulence is probably the dominant mechanism for vertical transport near the tropopause in the Venus atmosphere.

Woo, R.↗

On the radiative balance of the stratosphere

The zonally averaged radiative balance of the stratosphere based on the measured temperature structure and gas concentrations available from the LIMS instrument is examined in detail. These data are extant for seven months (November 1978 to May 1979). The contribution to the net radiative balance due to the individual components of solar heating and longwave cooling is discussed. These components are further broken down by individual gas constituent to understand the role each gas plays in determining the total radiative heating/cooling. The deficiencies of employing a latitudinally and temporally independent Newtonian damping coefficient are also explored. In particular, the Newtonian damping time is shown to vary by a factor of two in both latitude and season. Net zonally averaged stratospheric radiative heating for the seven months of LIMS data are presented. These net heating rates are important in determining the role of advective transport of chemical constituents. An important feature that appears in the derived radiative heating is the existence of a region of net radiative cooling near the equatorial stratopause.

Kiehl, J. T.↗

Evaluation of transport conditions during physical vapor transport growth of opto-electronic crystals

Transport conditions were evaluated during the vapor phase growth of mercurous chloride crystals in a closed tube. Experimentally observed growth rates were much smaller than those calculated by the Hertz-Knudsen (H-K) equation. The Arrhenius behavior of growth rate with the temperature was used to derive the sticking coefficient. A one-dimensional diffusion model was used to calculate the total mass flux and was compared with the condensing flux. It was predicted that growth occurred in the convecto-diffusive range.

Singh, N. B.↗

Heat transfer in vertical Bridgman growth of oxides - Effects of conduction, convection, and internal radiation

In the present investigation of crystalline phase internal radiation and heat conduction during the vertical Bridgman growth of a YAG-like oxide crystal, where transport through the melt is dominated by convection and conduction, heat is also noted to be conducted through ampoule walls via natural convection and enclosure radiation. The results of a quasi-steady-state axisymmetric Galerkin FEM indicate that heat transfer through the system is powerfully affected by the optical absorption coefficient of the crystal. The coupling of internal radiation through the crystal with conduction through the ampoule walls promotes melt/crystal interface shapes that are highly reflected near the ampoule wall.

Brandon, S.↗

LASE Measurements of Water Vapor, Aerosol, and Cloud Distributions in Saharan Air Layers and Tropical Disturbances

LASE (Lidar Atmospheric Sensing Experiment) on-board the NASA DC-8 measured high resolution profiles of water vapor and aerosols, and cloud distributions in 14 flights over the eastern North Atlantic during the NAMMA (NASA African Monsoon Multidisciplinary Analyses) field experiment. These measurements were used to study African easterly waves (AEWs), tropical cyclones (TCs), and the Saharan Air Layer(s) (SAL). Interactions between the SAL and tropical air were observed during the early stages of the TC development. These LASE measurements represent the first simultaneous water vapor and aerosol lidar measurements to study the SAL and its impact on AEWs and TCs. Examples of profile measurements of aerosol scattering ratios, aerosol extinction coefficients, aerosol optical thickness, water vapor mixing ratios, RH, and temperature are presented to illustrate their characteristics in SAL, convection, and clear air regions. LASE data suggest that the SAL suppresses low-altitude convection at the convection-SAL interface region. Mid-level convection associated with the AEW and transport are likely responsible for high water vapor content observed in the southern regions of the SAL on August 20, 2008. This interaction is responsible for the transfer of about 7 x 10(exp 15) J latent heat energy within a day to the SAL. Measurements of lidar extinction-to-backscatter ratios in the range 36+/-5 to 45+/-5 are within the range of measurements from other lidar measurements of dust. LASE aerosol extinction and water vapor profiles are validated by comparison with onboard in situ aerosol measurements and GPS dropsonde water vapor soundings, respectively.

Ismail, Syed↗

Photochemistry of Triton's Atmosphere and Ionosphere

The photochemistry of 32 neutral and 21 ion species in Triton's atmosphere is considered. Parent species N2, CH4, and CO (with a mixing ratio of 3 x 10(exp -4) in our basic model) sublime from the ice with rates of 40, 208, and 0.3 g/sq cm/b.y., respectively. Chemistry below 50 km is driven mostly by photolysis of methane by the solar and interstellar medium Lyman-alpha photons, producing hydrocarbons C2H4, C2H6, and C2H2 which form haze particles with precipitation rates of 135, 28, and 1.3 g/sq cm/b.y., respectively. Some processes are discussed which increase the production of HCN (by an order of magnitude to a value of 29 g/sq cm/b.y.) and involve indirect photolysis of N2 by neutrals. Reanalysis of the measured methane profiles gives an eddy diffusion coefficient K = 4 x 10(exp 3) sq cm/s above the tropopause and a more accurate methane number density near the surface, (3.1 +/- 0.8) x 10(exp 11)/cc cm. Chemistry above 200 km is driven by the solar EUV radiation (lambda less than 1000 A)) and by precipitation of magnetospheric electrons with a total energy input of 10(exp 8) W (based on thermal balance calculations). The most abundant photochemical species are N, H2, H, O, and C. They escape with the total rates of 7.7 x 10(exp 24)/ s, 4.5 x 10(exp 25)/ s, 2.4 x 10(exp 25)/ s, 4.4 x 10(exp 22)/ s, and 1.1 x 10(exp 24)/ s, respectively. Atomic species are transported to a region of 50-200 km and drive the chemistry there. Iono- spheric chemistry explains the formation of an E region at 150-240 km with HCO(+) as a major ion, and of an F region above 240 km with a peak at 320 km and C(+) as a major ion. The ionosphere above 500 km consists of almost equal densities of C(+) and N(+) ions. The model profiles agree with the measured atomic nitrogen and electron density profiles. A number of other models with varying rate coefficients of some reactions, differing properties of the haze particles (chemically passive or active), etc., were developed. These models show that there are four basic unknown values which have strong impacts on the composition and structure of the atmosphere and ionosphere. These values and their plausible ranges are the CO mixing ratio f(sub co) = 10(exp -4)- 10(exp -3), the magnetospheric electron energy input (1 +/- 0.5) x 10(exp 8) W, the rate coefficient of charge-exchange reaction N2(+) + Ck = 10(exp -11)-10(exp -10)cc cm/s, and the ion escape velocity upselon(sub i) approx. 150 cm/s.

Krasnopolsky, Vladimir A.↗

Rotational symmetry relation for efficient response function generation in the coarse mesh transport method COMET

The coarse mesh transport code COMET is a continuous energy hybrid stochastic-deterministic neutronics solver with high fidelity and formidable computation speed in solving reactor core problems. Its method is based on the incident flux expansion theory. In this work, we take advantage of the local geometric symmetry in many reactor cores lattices (e.g., fuel lattices and reflector blocks) to develop relations among the flux response expansion coefficients for symmetric surfaces to further improve the computational efficiency of the COMET response function generation tool (method). This is done by a rigorous derivation of the transformation matrices for the angular and spatial expansion moments resulting from a rotation of a coarse mesh by an arbitrary angle. The relations for the response coefficients for the symmetric surfaces can be then written as the Kronecker product of those transformation matrices. The method is implemented into COMET and tested on two advanced high temperature reactor (AHTR) full-length single assembly benchmark problems. The COMET results using the response function library based on the symmetry relations were compared to those using the library directly generated by continuous energy Monte Carlo for all surfaces. It was found that the eigenvalues and stripe-wise fission densities using the two libraries are in statistical agreement as expected. This indicates that the new method maintains the high fidelity of the original COMET method while improving the computational efficiency in the response function generation by 270% to 400%, depending on the local geometric symmetry. This method also reduces the size of the response function library by the same magnitude (270% to 400%). (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Adsorption of Tracer Gases in Geological Media: Experimental Benchmarking

The interaction of xenon with containment barriers can play a crucial role in the detection of underground nuclear explosions. Independent field experiments and laboratory-derived models have observed depressed surface level xenon concentrations and subsequently predicted geological capture rates. This work sought to experimentally verify those predictions by analyzing xenon transport though a two-bulb diffusion apparatus adapted for the study of geologic media. Novel to this work is the timescale over which these experiments were carried out, allowing the system to reach equilibrium, rather than relying on numerical models to treat the equilibrium concentration of each gas as a fit coefficient.

Byers, Maggie↗

Loss and Isotopic Fractionation of Alkali Elements during Diffusion-Limited Evaporation from Molten Silicate: Theory and Experiments

Moderately volatile elements (MVEs) are variably depleted in planetary bodies, reflecting the imprints of nebular and planetary processes. Among MVEs, Na, K, and Rb are excellent tracers for unraveling the history of MVE depletion in planetary bodies because they have similar geochemical behaviors but can be chemically fractionated by evaporation and condensation processes. Furthermore, K and Rb are amenable to high-precision isotopic analyses, which can help constrain the conditions of evaporation and condensation. To quantitatively understand why Na, K, and Rb are depleted in planetary bodies, we have carried out vacuum evaporation experiments from basaltic melt at 1200 and 1400 °C to study their evaporation kinetics and isotopic fractionations. We chose this composition because it is relevant to evaporation from small differentiated planetesimals. The Rb isotopic compositions of the evaporation residues were measured by multicollector inductively coupled plasma mass spectrometry (MC-ICPMS), and the K isotopic compositions were measured along profiles across the residues by secondary ion mass spectrometry (SIMS). In the 1400 °C run products, we found that the concentrations of both K and Rb in the run products decreased from core to rim, which was accompanied by a heavy K isotope enrichment near the surface. This indicates that, in this run, evaporation was limited by diffusion. To use those data quantitatively, we derive analytical equations that describe the evaporation rate and isotopic fractionation associated with diffusion-limited evaporation from a sphere, slab, and cylinder in transient and quasi-steady state regimes. This model is used to tease out the roles that diffusive transport in the melt and evaporation at the melt/gas interface play in setting the elemental depletion and isotopic composition of the residue. Under our experimental conditions, volatility decreases in the order of Na, Rb, and K. Using our experimental results in a thermodynamic model, we have estimated the product γΓ of activity coefficients × evaporation coefficients of Na, Rb, and K. The measured isotopic compositions of the residues are well explained using Rayleigh distillations, whereby the relative volatilities of K and Rb isotopes are given by the square root of their masses. We use our results and previously published data to predict how K and Rb could have been lost as a function of temperature, melt composition, oxygen fugacity, and saturation degree relevant to Vesta’s building blocks. We find that the K and Rb depletions, K/Rb elemental fractionation, and δ 41 K and δ 87 Rb isotopic fractionations of Vesta (as sampled by howardite-eucrite-diogenite (HED) meteorites) are best explained by evaporation of submillimeter size objects for 0.1-10 years at moderate temperatures (~1050 °C) in a medium ~98.8% saturated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurement of the longitudinal diffusion of ionization electrons in the MicroBooNE detector

Accurate knowledge of electron transport properties is vital to understanding the information provided by liquid argon time projection chambers (LArTPCs). Ionization electron drift-lifetime, local electric field distortions caused by positive ion accumulation, and electron diffusion can all significantly impact the measured signal waveforms. This paper presents a measurement of the effective longitudinal electron diffusion coefficient, D L , in MicroBooNE at the nominal electric field strength of 273.9 V/cm. Historically, this measurement has been made in LArTPC prototype detectors. This represents the first measurement in a large-scale (85 tonne active volume) LArTPC operating in a neutrino beam. This is the largest dataset ever used for this measurement. Using a sample of ~70,000 through-going cosmic ray muon tracks tagged with MicroBooNE's cosmic ray tagger system, we measure D L = 3.74 +0.28 -0.29 cm 2 /s.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Study of flutter related computational procedures for minimum weight structural sizing of advanced aircraft

Results of a study of the development of flutter modules applicable to automated structural design of advanced aircraft configurations, such as a supersonic transport, are presented. Automated structural design is restricted to automated sizing of the elements of a given structural model. It includes a flutter optimization procedure; i.e., a procedure for arriving at a structure with minimum mass for satisfying flutter constraints. Methods of solving the flutter equation and computing the generalized aerodynamic force coefficients in the repetitive analysis environment of a flutter optimization procedure are studied, and recommended approaches are presented. Five approaches to flutter optimization are explained in detail and compared. An approach to flutter optimization incorporating some of the methods discussed is presented. Problems related to flutter optimization in a realistic design environment are discussed and an integrated approach to the entire flutter task is presented. Recommendations for further investigations are made. Results of numerical evaluations, applying the five methods of flutter optimization to the same design task, are presented.

Oconnell, R. F.↗

Plasma kinetic processes in a strong d.c. magnetic field

The electrostatic guiding center approximation is used to describe the kinetic processes of a strongly magnetized tenuous plasma in two dimensions, in both the fluid and charged rod descriptions. The basic kinetic description of the plasma is in terms of the statistically-distributed Fourier coefficients associated with the velocity and enstrophy (charge density) fields. It is shown that the system exhibits a tendency to long range order characterized by macroscopic vorticity concentrations comparable in size to that of the system. These types of structure have historically been called convection cells and can be quite efficient at transporting particles transverse to a magnetic field.

Montgomery, D.↗

Burgers approximation for two-dimensional flow past an ellipse

A linearization of the Navier-Stokes equation due to Burgers in which vorticity is transported by the velocity field corresponding to continuous potential flow is examined. The governing equations are solved exactly for the two dimensional steady flow past an ellipse of arbitrary aspect ratio. The requirement of no slip along the surface of the ellipse results in an infinite algebraic system of linear equations for coefficients appearing in the solution. The system is truncated at a point which gives reliable results for Reynolds numbers R in the range 0 R 5. Predictions of the Burgers approximation regarding separation, drag and boundary layer behavior are investigated. In particular, Burgers linearization gives drag coefficients which are closer to observed experimental values than those obtained from Oseen's approximation. In the special case of flow past a circular cylinder, Burgers approximation predicts a boundary layer whose thickness is roughly proportional to R-1/2.

Dorrepaal, J. M.↗

Shaping of airplane fuselages for minimum drag

The VSAERO surface panel method is employed to investigate fuselage shapes which can enhance the natural laminar flow (NLF) characteristics. The study is performed at cruise Re which are relevant to commuter, transport, and business aircraft. The technique is based on piecewise constant doublet and source singularities and takes into account the effects of compressibility. Inviscid pressure distributions were generated for five configurations to aid in the search for an optimized NLF body shape as a function of the transition locations and the drag coefficients. Granville's transition criteria are incorporated into the calculations to yield shapes with longer runs of laminar flow and reduced drag. In comparison with other transition prediction methods, the method described is shown to have significantly higher valicity for making three-dimensional transition predictions.

Dodbele, S. S.↗

Cg/Stability Map for the Reference H Cycle 3 Supersonic Transport Concept Along the High Speed Research Baseline Mission Profile

A comparison is made between the results of trimming a High Speed Civil Transport (HSCT) concept along a reference mission profile using two trim modes. One mode uses the stabilator. The other mode uses fore and aft placement of the center of gravity. A comparison is make of the throttle settings (cruise segments) or the total acceleration (ascent and descent segments) and of the drag coefficient. The comparative stability of trimming using the two modes is also assessed by comparing the stability margins and the placement of the lateral and longitudinal eigenvalues.

Giesy, Daniel P.↗