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At least 397 records · Page 22

Turbulent boundary layer separation over a rearward facing ramp and its control through mechanical excitation

A vane oscillating about a fixed point at the inlet to a two-dimensional 20 degree rearward facing ramp has proven effective in delaying the separation of a turbulent boundary layer. Measurements of the ramp surface static pressure coefficient obtained under the condition of vane oscillation and constant inlet velocity revealed that two different effects occurred with surface distance along the ramp. In the vicinity of the oscillating vane, the pressure coefficients varied as a negative function of the vane's trailing edge rms velocity; the independent variable on which the rms velocity depends are the vane's oscillation frequency and its displacement amplitude. From a point downstream of the vane to the exit of the ramp; however, the pressure coefficient varied as a more complex function of the two independent variables. That is, it was found to vary as a function of the vane's oscillation frequency throughout the entire range of frequencies covered during the test, but over only a limited range of the trailing edge displacement amplitudes covered. More specifically, the value of the pressure coefficient was independent of increases in the vane's displacement amplitude above approximately 35 inner wall units of the boundary layer. Below this specific amplitude it varied as a function of the vane's trailing edge rms velocity. This height is close to the upper limit of the buffer layer. A parametric study was made to determine the variation of the maximum static pressure recovery as a function of the vane's oscillation frequency, for several ramp inlet velocities and a constant displacement amplitude of the vane's trailing edge. The results indicate that the phenomenon producing the optimum delay of separation may be Strouhal number dependent. Corona anemometer measurements obtained in the inner wall regions of the boundary layer for the excited case reveal a large range of unsteadiness in the local velocities. These measurements imply the existence of inflections in the profiles, which provide a mechanism for resulting inviscid flow instabilities to produce turbulence in the near wall region, thereby delaying separation of the boundary layer.

Mckinzie, Daniel J., Jr.↗

Shock Tube Studies of Soot Formation

The objective of this research is to record the time histories of the major and minor species which appear in the pyrolysis of toluene, benzene, butadiene, allene, and acetylene; to develop a set of reactions that will model the observed profiles over a wide temperature and concentration range; to identify the critical reactions that influence the pre-particle soot formation process. Toluene and benzene were chosen as two key aromatic compounds which are representative of the pyrolytic process. Butadiene, allene, and acetylene were selected to investigate the formation of aromatic compounds from non-cyclic species. The experimental apparatus used for the study consists of a shock tube coupled to a time-of-flight mass spectrometer Spectra are recorded at 30 microsecond intervals for a total observation time of 0.50 - 1.20 milliseconds. Peak heights of the species of interest in the m/e range 12-300 are measured as a function of reaction time. Calibration curves are constructed which aid the conversion of peak heights to concentrations. The mixtures range from 1 percent-6 percent fuel; the balance is neon diluent.

R D Kern↗

Programmable Site‐Specific Functionalization of DNA Origami with Polynucleotide Brushes

Abstract Combining surface‐initiated, TdT (terminal deoxynucleotidyl transferase) catalyzed enzymatic polymerization (SI‐TcEP) with precisely engineered DNA origami nanostructures (DONs) presents an innovative pathway for the generation of stable, polynucleotide brush‐functionalized DNA nanostructures. We demonstrate that SI‐TcEP can site‐specifically pattern DONs with brushes containing both natural and non‐natural nucleotides. The brush functionalization can be precisely controlled in terms of the location of initiation sites on the origami core and the brush height and composition. Coarse‐grained simulations predict the conformation of the brush‐functionalized DONs that agree well with the experimentally observed morphologies. We find that polynucleotide brush‐functionalization increases the nuclease resistance of DONs significantly, and that this stability can be spatially programmed through the site‐specific growth of polynucleotide brushes. The ability to site‐specifically decorate DONs with brushes of natural and non‐natural nucleotides provides access to a large range of functionalized DON architectures that would allow for further supramolecular assembly, and for potential applications in smart nanoscale delivery systems.

Yang, Yunqi↗

Capillary surface discontinuities above reentrant corners

A particular configuration of a vertical capillary tube for which S is the equilibrium interface between two fluids in the presence of a downward pointing gravitational field was investigated. S is the graph a function u whose domain is the (horizontal) cross section gamma of the tube. The mean curvature of S is proportional to its height above a fixed reference plane and lambda is a prescribed constant and may be taken between zero and pi/2. Domains gamma for which us is a bounded function but does not extend continuously to d gamma are sought. Simple domains are found and the behavior of u in those domains is studied. An important comparison principle that has been used in the literature to derive many of the results in capillarity is reviewed. It allows one to deduce the approximate shape of a capillary surface by constructing comparison surfaces with mean curvature and contact angle close to those of the (unknown) solution surface. In the context of nonparametric problems the comparison principle leads to height estimates above and below for the function u. An example from the literature where these height estimates have been used successfully is described. The promised domains for which the bounded u does not extend continuously to the boundary are constructed. The point on the boundary at which u has a jump discontinuity will be the vertext of a re-entrant corner having any interior angle theta pi. Using the comparison principle the behavior of u near this point is studied.

Korevaar, H. J.↗

From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF Nodes

Methane C–H activation at transition-metal sites often involves electronic structures that challenge conventional single-reference electronic structure descriptions. Although Kohn–Sham density functional theory (DFT) is widely used to study catalytic trends, its reliability for reactions involving strongly correlated species remains uncertain. Here we present a systematic multireference investigation of methane activation at metal–organic framework (MOF) node catalysts across the 3d transition-metal series. We introduce an automated workflow for active space selection to enable consistent application of multireference methods, including multiconfiguration pair-density functional theory and n-electron valence state perturbation theory, to these catalytic systems. These calculations show substantial static correlation in the C–H activation reaction step and predict activation barriers that differ from DFT by 30–70 kJ mol–1, with DFT often qualitatively disagreeing in barrier height trends across transition metals. Analysis of multireference wave functions shows that reactivity is governed by the electronic structure of the M–O moiety along a continuum from metal–oxo to oxyl radical and O biradical character. Increased oxygen-centered spin density and weakened M–O bonding are identified as descriptors of catalytic activity which correlate with lower activation barriers.

Wardzala, Jacob↗

An improved cloud retrieval algorithim using HIRS2-MSU radiance measurements

Cloud-top heights and cloud amounts are produced as part of the operational processing of polar-satellite data at the National Environmental Satellite Data and Information Service (NESDIS). These products were compared with similar products from the air force's real-time nephanalysis (RTNEPH), from the International Satellite Cloud Climatology Project, and from NASA Goddard's processing of satellite data. It was found that the amount of high-level cloud was too small in the NESDIS results, while the amount of low-level cloud was too large. An examination of the NESDIS algorithm revealed that the differences in cloud distributions were caused by the selection of channels used for the cloud retrievals. Cloud retrievals are most accurate at the levels at which the channels that are used are most sensitive. In addition, it was found that no one pair of channels was best at all levels. A new procedure was developed that varied the channels as a function of an initial estimate of the cloud height. This procedure produced improved cloud retrievals that were then compared with the RTNEPH results. The comparison showed that the two methods provide similar retrievals of cloud height and amount.

Mcmillin, Larry↗

Spatial autocorrelation of radiation measured by the Earth Radiation Budget Experiment: Scene inhomogeneity and reciprocity violation

The spatial autocorrelation functions of broad-band longwave and shortwave radiances measured by the Earth Radiation Budget Experiment (ERBE) are analyzed as a function of view angle in an investigation of the general effects of scene inhomogeneity on radiation. For nadir views, the correlation distance of the autocorrelation function is about 900 km for longwave radiance and about 500 km for shortwave radiance, consistent with higher degrees of freedom in shortwave reflection. Both functions rise monotonically with view angle, but there is a substantial difference in the relative angular dependence of the shortwave and longwave functions, especially for view angles less than 50 deg. In this range, the increase with angle of the longwave functions is found to depend only on the expansion of pixel area with angle, whereas the shortwave functions show an additional dependence on angle that is attributed to the occlusion of inhomogeneities by cloud height variations. Beyond a view angle of about 50 deg, both longwave and shortwave functions appear to be affected by cloud sides. The shortwave autocorrelation functions do not satisfy the principle of directional reciprocity, thereby proving that the average scene is horizontally inhomogeneous over the scale of an ERBE pixel (1500 sq km). Coarse stratification of the measurements by cloud amount, however, indicates that the average cloud-free scene does satisfy directional reciprocity on this scale.

Davies, Roger↗

Global correlation of topographic heights and gravity anomalies

The short wavelength features were obtained by subtracting a calculated 24th-degree-and-order field from observed data written in 1 deg x 1 deg squares. The correlation between the two residual fields was examined by a program of linear regression. When run on a worldwide scale over oceans and continents separately, the program did not exhibit any correlation; this can be explained by the fact that the worldwide autocorrelation function for residual gravity anomalies falls off much faster as a function of distance than does that for residual topographic heights. The situation was different when the program was used in restricted areas, of the order of 5 deg x 5 deg square. For 30% of the world,fair-to-good correlations were observed, mostly over continents. The slopes of the regression lines are proportional to apparent densities, which offer a large spectrum of values that are being interpreted in terms of features in the upper mantle consistent with available heat-flow, gravity, and seismic data.

Roufosse, M. C.↗

Salt Vessel-Sample Generator Interface

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness and accuracy of sampling-based accountancy measurements. One technology under development is a vacuum sampler loop module. In this system, molten salt is drawn from a process vessel through a heated sampling line and into a charge vessel. Next, one or more samples are split from the volume in the charge vessel and the remaining salt is returned to the process. The vacuum sampler loop module is being developed to interface with other sample processing and analysis modules to enable rapid at-line sample characterization. The main purpose of the vacuum sampling loop module is to enable the collection of samples that are more representative of the bulk salt by replacing traditional point samplers (i.e., dip probes) with a sampling approach that captures a larger cross section of salt. Additionally, the vacuum sampling approach eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. Two methods of interfacing the vacuum sampling loop with a precision pneumatic sample generator were investigated in FY21. This report covers the testing of fluidic coupling between the two modules. Two iterations of the fluidically coupled modules were tested. The first iteration system coupled the two modules using a freeze valve to seal the vacuum sampler during filling and to control flow into the pneumatic sample generator. While this integrated system functioned as intended, some changes were implemented to make the system more robust and better suited to remote deployment. Specifically, the system was made to be more modular and active control of the vacuum filling operation was replaced with a passive control mechanism. For passive filling, the salt charge vessel was vented to a small gas tank that was at negative pressure, causing salt to be drawn into the vessel until the force of the fluid head was in equilibrium with the gas pressure. The passive control system performed well and will be used in future iterations. Another change in the second system was a newly configured pneumatic sample generator in which sample ejection occurred through a hole in the reservoir’s stainless-steel side wall instead of through a non-wetted sapphire orifice on the bottom. This alternate configuration may be better suited for near-process deployment because it enables on-line orifice maintenance and an orifice bypass drain back to the process. A third change in the second iteration system was the transition to a two-chamber charge vessel which split off a fraction of the sampled salt as a liquid aliquot. The goal was to create a buffer mechanism that would allow reproducible aliquoting of samples, independently of variability in the charge vessel fill height. While the two-chamber design was functional, the sample size reproducibility was below target values. To improve reproducibility and overcome many of the impediments to remote deployment of the vacuum sampling loop module, separate work was conducted to replace the two-chamber liquid aliquoting mechanism with aliquoting into single-use sample tubes. Solid salt transfer in the sample tubes will replace fluidic coupling for integrating the vacuum sampler with downstream modules. Because the proposed operations can all be executed with simple overhead actuation mechanisms or other existing hot-cell technology, there will be no need for large investments in novel hot cell sample handling technologies using this alternate approach. As such, near-term deployment of the vacuum sampling technology will be achievable. This new approach for automated coupling of sample tubes with down-stream modules is covered in a separate FY21 report, and a remotely operated version of the vacuum sampler loop module with the tube aliquoting feature is planned for FY22.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Observations on electromagnetic bias in radar altimeter sea surface measurements

Because the relative radar cross section of the sea surface increases below mean sea level and decreases above it, the range measurements of satellite radar altimeters are biased toward the wave troughs. Published and unpublished direct measurements of this electromagnetic (EM) bias are examined as well as the predictions of theoretical developments. The EM bias is predominantly a function of the radar frequency used, averaging 1.2 percent of the wave height of Ka band and 3.3 percent of the wave height at X band. The airborne measurements present a consistent picture of the variation of the relative radar cross section as a function of deviation from mean sea level. A technique to measure EM bias at the Ku and C band operating frequencies of the Topex satellite altimeter is described.

Walsh, Edward J.↗

Charge-Density-Specific Response of Grafted Polyelectrolytes to Electric Fields: Bending or Tilting?

The response of polyelectrolytes (PEs) to applied electric fields drive applications in energetics, diagnostics, materials development, and many more. Here we employ all-atom molecular dynamics (MD) simulations to probe the response of grafted PE brushes to axial electric fields. For PEs with large charge densities, the electric field triggers a left-right asymmetric distribution of counterions around the PE backbone: consequently, depending on the location (left or right), there is an unequal screening and an unequal force on the PE functional groups causing a bending-driven brush height reduction. However, for the weakly charged PEs, the electric field causes a uniform distribution of the counterions across the brush enforcing a uniform (without left-right asymmetry) partially unscreened PE brush: therefore, all the brush segments experience similar force causing a brush tilting-driven brush height reduction. As a result, such bending versus tilting responses is commensurate with the electric-field-driven increase (decrease) in the flexibility of strongly (weakly) charged PEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Artificial intelligence models, photos, and data associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” (v2)

This data package is associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” published in Water Resources Research (Chen et al., 2024). This data package includes the training, validation, testing, and prediction data used by the artificial intelligence (AI) model for automated grain size and hydro-biogeochemistry quantification using streambed photos. The grain size data are extracted for each photo using You Look Only Once (YOLO), a pre-trained object detection model. This data package was originally published in October 2023. It was updated August 2025 (v2; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. Please see flmd.csv for a list of all files contained in this data package and descriptions for each. Please see dd.csv for a data dictionary that defines the column headers of .csv files in the data package. This dataset is comprised of one data folder containing (1) file-level metadata; (2) data dictionary; (3) readme; and (4) six subfolders. Subfolders 1 to 4 include the training, validation, testing, and prediction data. Subfolder 5_Summary includes the summary results of different combinations of training, validation, testing, and prediction data. Subfolder 6_SupplementalData includes additional data downloaded from public sources (Kaufman et al., 2023a; Kaufman et al., 2023b; Garefalakis et al., 2023; Mair et al., 2024; https://github.com/river-corridors-sfa/Geospatial_variables). In total, the data package includes 110 folders and 44,283 files. These files include 9,047 .jpg photos, 1 .png photo, 3 .tif photos; 26,639 photo labels and individual grain sizes and probability from AI (.txt); 8,447 grain size distribution data (.dat); and 126 CSV files for results summary, and 14 required metadata files (.xlsx). The summary CSV files contain 68 columns and approximately 2,200 rows that represent photo names, site locations, recording time, GPS coordinates, grains sizes (D10, D50, D60, and D84), number of grains, and additional hydro-biogeochemical data such as water depth, flow velocity, Manning’s coefficient, friction factor, hydraulic conductivity, permeability, streambed interstitial velocity magnitude, mass transfer rate, and nitrate uptake velocity. The photos were obtained from 75 sites in the Yakima River Basin and the Columbia River shorelines, and other associated data from samples and sensors obtained when the photos were taken are publicly available (Fulton et al. 2022; Grieger et al. 2023). All files are .csv, .txt, .dat, .jpg, or .pdf. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

FY24 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

Algorithms for Machine Learning (ML) and data analysis for the 3013 Surveillance Program have been developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). The objective of the algorithms is to automate the identification of corrosion and crack formation in the Inner Container Closure Weld Region (ICCWR) of the canister system used to store Pu-bearing material. Data for corrosion and cracking is collected from large binary files generated by a Laser Confocal Microscope (LCM), the Wide Area 3D Measurement System (WAMS), or,in a recent proposal, by a Scanning Electron Microscope (SEM). The ML software uses the physical attributes in the data files (e.g., one or more of: height, color, and 16-bit grayscale values as functions of position in a plane projection) to detect signs of surface corrosion and cracking after being trained on similar data, with the features to be detected. Although the initial scope included screening for broader indicators of corrosion, e.g., pitting, identification of potential cracks was prioritized for the past several years at the request of program leadership. Labeled training data is essential to developing the ML algorithm, and enhancements to data labeling capability have been developed to address this essential precursor to application of ML routines. Efficient labeling is particularly important in view of the large volume of data required to train ML algorithms and the relative rarity of cracks in the ICCWR data set. The updated program will read binary data from either LCM, WAMS or SEM files, interrogate data attributes, facilitate user labeling of data for training ML algorithms, execute ML algorithms, output parameters from trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. In FY24, hourglass neural networks (HNNs) that were initiated in FY22 were further developed and tested using available LCM data, and their performance was tested against that of the alternative U-Net Neural Network algorithm structure. HNNs along with previously developed Convolutional Neural Networks (CNNs) and Deep Neural Networks (DNNs) comprise a suite of ML tools for identification of cracks in the ICCWR

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

FY25 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

Algorithms for Machine Learning (ML) and image analysis for the 3013 Surveillance Program have been developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). The objective of the algorithms is to automate the identification of corrosion and cracks in the Inner Container Closure Weld Region (ICCWR) of the canister system used to store Pu-bearing material. Data for corrosion and cracking is collected from large binary files generated by a Laser Confocal Microscope (LCM), the Wide Area 3D Measurement System (WAMS), or, in a recent proposal, by a Scanning Electron Microscope (SEM). The ML software uses the physical attributes in the data files (e.g., one or more of: height, color, and 16-bit grayscale values as functions of position in a plane projection) to detect signs of surface corrosion and cracking after being trained on similar data with the features to be detected. Although the initial scope included screening for broader indicators of corrosion, e.g., pitting, the identification of potential cracks was prioritized for the past several years at the request of program leadership.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Atmospheric spreading of protons in auroral arcs

A model is developed to calculate the effect of atmospheric spreading on the flux and angular distribution of protons in homogeneous auroral arcs. An expression is derived that indicates the angular distribution in the atmosphere as a function of distance from arc center, neutral scale height, arc width, and initial angular distribution. The results of the model agree favorably with those based on Monte-Carlo calculations. From these results the enhancement factors needed to compute the original proton current above the atmosphere are obtained. A technique is indicated for determining the incident angular distribution from rocket-based measurements of the arc width and angular distribution.

Iglesias, G. E.↗

Viking Radio Occultation Measurements of the Martian Atmosphere and Topography: Primary Mission Coverage

Radio occultation measurements were made at approximately 50 locations on Mars with the Viking Orbiter 1 S (2.3 GHz) and X (8.4 GHz) band tracking links during October 1976. The measurements have been used to study the topography and atmosphere of Mars at latitudes ranging from about 75 deg S to 70 deg N. By using the ingress and egress times obtained from the observed limb diffraction effects together with the best ephemerides available for the orbiter and the planet we have determined the surface elevations at the occultation points relative to the reference areoid. The observations agree with Mariner 9 and radar data to within 2 km. The mean atmospheric pressure at the areoid level was found to be 5.9 mbar during the northern midsummer season, a value which agrees quite well with data obtained at the landing sites. By comparing the new electron density measurements with earlier Mariner data we have determined that the temperature and the plasma scale height of the upper atmosphere appear to be functions of solar activity.

Fjeldbo, G.↗

Design and benefits of a multibeam Earth Observing Radar

The oceanographic rationale is described for continuing to advance the state of the art in satellite radar altimetry, and the expected capabilities of a multibeam Earth Observing Radar are noted. At the end of this decade, there is the possibility that altimeters may be in orbit aboard the American TOPEX, the ESA ERS-1, and the French SPOT satellites at the same time. The TOPEX version will be the most precise altimeter yet built. Global ocean circulation will be measured by using TOPEX to monitor the elevation changes across the ocean basins due to oceanic currents. It will then be possible to monitor the 'mean' circulation patterns in the oceans. The multiple beams of EOR might be used to measure the curvature of the topographic surface. The use of curvature is especially beneficial because it is directly related to ocean circulation, which is a function only of the Laplacian of the topographic height field in a given area. With the EOR, that height field will be known and ocean circulation can be immediately computed.

Parsons, C. L.↗

Heat transfer to and from vegetated surfaces - An analytical method for the bulk exchange coefficients

The semianalytical model outlined in a previous study (Massman, 1987) to describe momentum exchange between the atmosphere and vegetated surfaces is extended to include the exchange of heat. The methods employed are based on one-dimensional turbulent diffusivities, and use analytical solutions to the steady-state diffusion equation. The model is used to assess the influence that the canopy foliage structure and density, the wind profile structure within the canopy, and the shelter factor can have upon the inverse surface Stanton number (kB exp -1), as well as to explore the consequences of introducing a scalar displacement height which can be different from the momentum displacement height. In general, the triangular foliage area density function gives results which agree more closely with observations than that for constant foliage area density. The intended application of this work is for parameterizing the bulk aerodynamic resistances for heat and momentum exchange for use within large-scale models of plant-atmosphere exchanges.

Massman, William J.↗