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At least 217 records · Page 12

A New Method to Correct the Electrochemical Concentration Cell (ECC) Ozonesonde Time Response and its Implications for "Background Current" and Pump Efficiency

The electrochemical concentration cell (ECC) ozonesonde has been the main instrument for in situ profiling of ozone worldwide; yet, some details of its operation, which contribute to the ozone uncertainty budget, are not well understood. Here, we investigate the time response of the chemical reactions inside the ECC and how corrections can be used to remove some systematic biases. The analysis is based on the understanding that two reaction pathways involving ozone occur inside the ECC that generate electrical currents on two very different timescales. The main fast-reaction pathway with a time constant of about 20 s is due the conversion of iodide to molecular iodine and the generation of two free electrons per ozone molecule. A secondary slow-reaction pathway involving the buffer generates an excess current of about 2 %–10 % with a time constant of about 25 min. This excess current can be interpreted as what has conventionally been considered the “background current”. This contribution can be calculated and removed from the measured current instead of the background current. Here we provide an algorithm to calculate and remove the contribution of the slow-reaction pathway and to correct for the time lag of the fast-reaction pathway. This processing algorithm has been applied to ozonesonde profiles at Costa Rica and during the Central Equatorial Pacific Experiment (CEPEX) as well as to laboratory experiments evaluating the performance of ECC ozonesondes. At Costa Rica, where a 1 % KI, 1/10th buffer solution is used, there is no change in the derived total ozone column; however, in the upper troposphere and lower stratosphere, average reported ozone concentrations increase by up to 7 % and above 30 km decrease by up to 7 %. During CEPEX, where a 1 % KI, full-buffer solution was used, ozone concentrations are increased mostly in the upper troposphere, with no change near the top of the profile. In the laboratory measurements, the processing algorithms have been applied to measurements using the majority of current sensing solutions and using only the stronger pump efficiency correction reported by Johnson et al. (2002). This improves the accuracy of the ECC sonde ozone profiles, especially for low ozone concentrations or large ozone gradients and removes systematic biases relative to the reference instruments. In the surface layer, operational procedures prior to launch, in particular the use of filters, influence how typical gradients above the surface are detected. The correction algorithm may report gradients that are steeper than originally reported, but their uncertainty is strongly influenced by the prelaunch procedures.

electrochemical concentration cell (ECC) ozonesond↗

Mapping Pine Plantations in the Southeastern U.S. Using Structural, Spectral, and Temporal Remote Sensing Data

The southeastern U.S. produces the most industrial roundwood in the U.S. each year, largely from commercial pine plantations. The extent of plantation forests and management dynamics can be difficult to ascertain from periodic forest inventories, yet short-rotation tree plantations also present challenges for remote sensing. Here, we integrated spectral, temporal, and structural information from airborne and satellite platforms to distinguish pine plantations from natural forests and evaluate the contribution from planted forests to regional forest coverin the southeastern U.S. Within flight lines from NASA Goddard's Lidar, Hyperspectral, and Thermal (G-LiHT) Airborne Imager, lidar metrics of forest structure had the highest overall accuracy for pine plantations among single-source classifications (90%), but the combination of spectral and temporal metrics from Landsat generated comparable accuracy (91%). Combined structural, temporal, and spectral information from G-LiHT and Landsat had the highest accuracy for plantations (92%) and natural forests (88%). At a regional scale, classifications using Landsat spectral and temporal metrics had between 74 and 82% mean class accuracy for plantations.Regionally, plantations accounted for 28% of forest cover in the southeastern U.S., a result similar to plot-based estimates, albeit with greater spatial detail. Regional maps of plantation forests differed from existing map products, including the National Land Cover Database. Combining plantation extent in 2011 with Landsat based forest change data identified strong regional gradients in plantation dynamics since 1985, with distinct spatial patterns of rotation age (east-west) and plantation expansion (interior). Our analysis demonstrates the potential to improve the characterization of dynamic land cover classes, including economically important timber plantations, by integrating diverse remote sensing datasets. Critically, multi-source remote sensing provides an approach to leverage periodic forest inventory data for annual monitoring of managed forest landscapes.

Fagan, M. E.↗

Estimating central pressures of oceanic midlatitude cyclones

A method of determining surface pressures in oceanic storm systems using Earth Remote-Sensing Satellite (ERS-1) scatterometer data is employed to determine the lowest pressure in 25 storms. This method uses the surface winds as a lower boundary condition on a planetary boundary layer model to determine gradient winds and, thereby, pressure gradients. An optimization scheme referenced to a pressure outside the storm provides a pressure field and an estimate of the low pressure. The values are compared to European Center for Medium-Range Weather Forecasts (ECMWF) analyses in each case; there is good agreement, with some expected differences.

Brown, R. A.↗

Heterogeneous Multilayer Nanopores via Chemically Tuned Dielectric Breakdown for Single‐Molecule Sensing

Solid-state nanopores are powerful platforms for single-molecule sensing, yet their performance is often constrained by fabrication complexity, noise, and limited control over surface properties. Here we report a direct method to fabricate heterogeneous multilayer nanopores using chemically tuned controlled dielectric breakdown (CT-CDB). We integrate hBN, MoS 2 , or graphene atop a silicon nitride membrane to form five distinct bilayer and tri-layer architectures, with bare SiN x nanopore as a control. CT-CDB achieves pore formation reproducibly through material-stacks with high efficiency, good pore size control, and strong yield, validated by various characterizations. Transferrin protein translocation experiments, supported by simulations, reveal that multilayer configurations modulate protein conformations, ionic current blockade and dwell time distributions, reflecting combined effects of membrane type, interfacial chemistry, and local electric field gradients. A supervised machine learning framework is implemented to assist identifying multilayer structure effects embedded in signal signatures, with over 96% accuracy. This work presents a modular and scalable framework for functional nanopore engineering with complex structural integration, thereby expanding the potential of 2D materials in single-molecule sensing applications.

2D materials↗

Optimizing process-based models to predict current and future soil organic carbon stocks at high-resolution

From hillslope to small catchment scales (< 50 km 2 ), soil carbon management and mitigation policies rely on estimates and projections of soil organic carbon (SOC) stocks. Here we apply a process-based modeling approach that parameterizes the MIcrobial-MIneral Carbon Stabilization (MIMICS) model with SOC measurements and remotely sensed environmental data from the Reynolds Creek Experimental Watershed in SW Idaho, USA. Calibrating model parameters reduced error between simulated and observed SOC stocks by 25%, relative to the initial parameter estimates and better captured local gradients in climate and productivity. The calibrated parameter ensemble was used to produce spatially continuous, high-resolution (10 m 2 ) estimates of stocks and associated uncertainties of litter, microbial biomass, particulate, and protected SOC pools across the complex landscape. Here, subsequent projections of SOC response to idealized environmental disturbances illustrate the spatial complexity of potential SOC vulnerabilities across the watershed. Parametric uncertainty generated physicochemically protected soil C stocks that varied by a mean factor of 4.4 × across individual locations in the watershed and a – 14.9 to + 20.4% range in potential SOC stock response to idealized disturbances, illustrating the need for additional measurements of soil carbon fractions and their turnover time to improve confidence in the MIMICS simulations of SOC dynamics.

54 ENVIRONMENTAL SCIENCES↗

Fabrication and testing of subminiature multi-sensor hot-wire probes

A method for the fabrication of hot-wire sensors measuring 0.6 micron in diameter and 200 microns in length is described. This method allows accurate control of sensing-element orientation, thus making it possible to produce multisensor probes. Test results obtained with a miniature sensor fabricated by this method, for the outer region of a turbulent boundary layer developing in a zero presure gradient were compared to measurements from a conventional-sized probe made in the same flow, demonstrating that, because of their improved spatial resolution, subminiature sensors can provide more accurate measurements in boundary layers than do the conventional probes.

Ligrani, P. M.↗

A simple fiber-optic microprobe for high resolution light measurements: application in marine sediment

A fiber-optic microphobe is described which is inexpensive and simple to build and use. It consists of an 80-micrometers optical fiber which at the end is tapered down to a rounded sensing tip of 20-30-micrometers diameter. The detector is a hybrid photodiode/amplifier. The probe has a sensitivity of 0.01 microEinst m-2 s-1 and a spectral range of 300-1,100 nm. Spectral light gradients were measured in fine-grained San Francisco Bay sediment that had an undisturbed diatom coating on the surface. The photic zone of the mud was only 0.4 mm deep. Measured in situ spectra showed extinction maxima at 430-520, 620-630, 670, and 825-850 nm due to absorption by chlorophyll a, carotenoids, phycocyanin, and bacterio-chlorophyll a. Maximum light penetration in the visible range was found in both the violet and the red < or = 400 and > or = 700 nm.

NASA Center ARC↗

Adaptive Circuit Learning for Quantum Metrology

Quantum sensing is an important application of emerging quantum technologies. We explore whether a hybrid system of quantum sensors and quantum circuits can surpass the classical limit of sensing. In particular, we use optimization techniques to search for encoder and decoder circuits that scalably improve sensitivity under given application and noise characteristics. Furthermore, our approach uses a variational algorithm that can learn a quantum sensing circuit based on platform-specific control capacity, noise, and signal distribution. The quantum circuit is composed of an encoder which prepares the optimal sensing state and a decoder which gives an output distribution containing information of the signal. We optimize the full circuit to maximize the Signal-to-Noise Ratio (SNR). Furthermore, this learning algorithm can be run on real hardware scalably by using the "parameter-shift" rule which enables gradient evaluation on noisy quantum circuits, avoiding the exponential cost of quantum system simulation. We demonstrate up to 13.12x SNR improvement over existing fixed protocol (GHZ), and 3.19x Classical Fisher Information (CFI) improvement over the classical limit on 15 qubits using IBM quantum computer. More notably, our algorithm overcomes the decreasing performance of existing entanglement-based protocols with increased system sizes.

42 ENGINEERING↗

An Incremental Gradient Method for Optimization Problems With Variational Inequality Constraints

We consider minimizing a sum of agent-specific nondifferentiable merely convex functions over the solution set of a variational inequality (VI) problem in that each agent is associated with a local monotone mapping. This problem finds an application in computation of the best equilibrium in nonlinear complementarity problems arising in transportation networks. We develop an iteratively regularized incremental gradient method where at each iteration, agents communicate over a directed cycle graph to update their solution iterates using their local information about the objective and the mapping. The proposed method is single-timescale in the sense that it does not involve any excessive hard-to-project computation per iteration. We derive nonasymptotic agent-wise convergence rates for the suboptimality of the global objective function and infeasibility of the VI constraints measured by a suitably defined dual gap function. Finally, the proposed method appears to be the first fully iterative scheme equipped with iteration complexity that can address distributed optimization problems with VI constraints over cycle graphs.

convergence↗

Elemental Mercury Diffusion Processes and Concentration at the Lunar Poles

In 2009, the Lyman Alpha Mapping Project (LAMP) spectrograph onboard the Lunar Reconnaissance Orbiter (LRO) spacecraft made the first detection of element mercury (Hg) vapor in the lunar exosphere after the Lunar Crater Observing and Sensing Satellite (LCROSS) Centaur rocket impacted into the Cabeus crater in the southern polar region of the Moon. The lunar regolith core samples from the Apollo missions determined that Hg had a devolatilized pattern with a concentration gradient increasing with depth, in addition to a layered pattern suggesting multiple episodes of burial and volatile loss. Hg migration on the lunar surface resulted in cold trapping at the poles. We have modeled the rate at which indigenous Hg is lost from the regolith through diffusion out of lunar grains. We secondly modeled the migration of Hg vapor in the exosphere and estimated the rate of cold-trapping at the poles using a Monte Carlo technique. The Hg vapor may be lost from the exosphere via ionization, Jeans escape, or re-impact into the surface causing reabsorption.

Moxley, Frederick↗

HDBind: encoding of molecular structure with hyperdimensional binary representations

Traditional methods for identifying “hit” molecules from a large collection of potential drug-like candidates rely on biophysical theory to compute approximations to the Gibbs free energy of the binding interaction between the drug and its protein target. These approaches have a significant limitation in that they require exceptional computing capabilities for even relatively small collections of molecules. Increasingly large and complex state-of-the-art deep learning approaches have gained popularity with the promise to improve the productivity of drug design, notorious for its numerous failures. However, as deep learning models increase in their size and complexity, their acceleration at the hardware level becomes more challenging. Hyperdimensional Computing (HDC) has recently gained attention in the computer hardware community due to its algorithmic simplicity relative to deep learning approaches. The HDC learning paradigm, which represents data with high-dimension binary vectors, allows the use of low-precision binary vector arithmetic to create models of the data that can be learned without the need for the gradient-based optimization required in many conventional machine learning and deep learning methods. This algorithmic simplicity allows for acceleration in hardware that has been previously demonstrated in a range of application areas (computer vision, bioinformatics, mass spectrometery, remote sensing, edge devices, etc.). To the best of our knowledge, our work is the first to consider HDC for the task of fast and efficient screening of modern drug-like compound libraries. We also propose the first HDC graph-based encoding methods for molecular data, demonstrating consistent and substantial improvement over previous work. We compare our approaches to alternative approaches on the well-studied MoleculeNet dataset and the recently proposed LIT-PCBA dataset derived from high quality PubChem assays. We demonstrate our methods on multiple target hardware platforms, including Graphics Processing Units (GPUs) and Field Programmable Gate Arrays (FPGAs), showing at least an order of magnitude improvement in energy efficiency versus even our smallest neural network baseline model with a single hidden layer. Our work thus motivates further investigation into molecular representation learning to develop ultra-efficient pre-screening tools. We make our code publicly available at https://github.com/LLNL/hdbind.

59 BASIC BIOLOGICAL SCIENCES↗

Date Release Report for Large Surface Explosion Coupling Experiment (LSECE) Nevada National Security Site

The DTRA sponsored 2020-2022 Large Surface Explosion Coupling Experiment (LSECE) consists of two large ground surface chemical explosions, data collection, analysis and modeling carried out in 2020-2022. The LSECE chemical explosions were carried out at the site of prior NNSA sponsored buried chemical explosions that were part of the Source Physics Experiment (SPE) Phase II in Dry Alluvium Geology (DAG). This report described the data collected under LSECE that is being made publicly available. The prior buried explosion DAG data are described in a separate report (https://www.osti.gov/biblio/1825534) and are also publicly available. The LSECE explosions, data analysis and numerical modeling work sponsored by DTRA were intended to address three objectives: 1) Generate seismo-acoustic data to test and improve numerical models of explosion energy coupling in dry alluvium geology; 2) To improve seismo-acoustic yield estimation techniques as a function of depth and medium properties; 3) To study and improve acoustic propagation modeling under two different atmospheric conditions. The LSECE data that were collected have expanded the prior DAG buried explosion dataset to include surface chemical explosions recorded on a common set of seismo-acoustic stations. They have allowed a more detailed study of above and below surface seismo-acoustic energy coupling with applications to explosion monitoring and assessment. The two approximately 1-ton TNT equivalent yield LSECE explosions were detonated at different times of the day to explore the effects of the different atmospheric conditions. The first chemical explosion “Artemis” was conducted before dawn when temperature inversions were present. The second chemical explosion “Apollo” was conducted on a sunny afternoon when the temperature gradient was more linear. The LSECE chemical explosion data were also collected across a variety of different sensor types to allow evaluation of their effectiveness in recovering useful information. The LSECE instrumentation included fiber optic or Distributed Acoustic Sensing (DAS), a dense array or Large-N array of seismometers, borehole accelerometers, DAS and a velocity meter, airborne acoustic instruments and a variety of visual and remote sensing data.

58 GEOSCIENCES↗

Force balance in the magnetospheres of Jupiter and Saturn

Spacecraft measurements of the plasma populations and magnetic fields near Jupiter and Saturn have revealed that large magnetospheres surround both planets. Magnetic field measurements have indicated closed field line topologies in the dayside magnetospheres of both planets while plasma instruments have shown these regions to be populated by both hot and cold plasma components convected azimuthally in the sense of planetary rotation. By using published data from the Voyager Plasma Science (PLS), Low Energy Charged Particle (LECP), and Magnetometer (MAG) instruments, it is possible to investigate the validity of the time stationary MHD momentum equation in the middle magnetospheres of Jupiter and Saturn. At Saturn, the hot plasma population is negligible in the dynamic sense and the centrifugal force of the cold rotating plasma appears to balance the Lorentz force. At Jupiter, the centrifugal force balances about 25 percent of the Lorentz force. The remaining inward Lorentz force is balanced by pessure gradients in the hot, high-beta plasma of the Jovian magnetodisk.

Mcnutt, R. L., Jr.↗

Application of a self-adaptive grid method to complex flows

A directional-split, modular, user-friendly grid point distribution code is applied to several test problems. The code is self-adaptive in the sense that grid point spacing is determined by user-specified constants denoting maximum and minimum grid spacings and constants relating the relative influence of smoothness and orthogonality. Estimates of truncation error, in terms of flow-field gradients and/or geometric features, are used to determine the point distribution. Points are redistributed along grid lines in a specified direction in an elliptic manner over a user-specified subdomain, while orthogonality and smoothness are controlled in a parabolic (marching) manner in the remaining directions. Multidirectional adaption is achieved by sequential application of the method in each coordinate direction. The flow-field solution is redistributed onto the newly distributed grid points after each unidirectional adaption by a simple one-dimensional interpolation scheme. For time-accurate schemes such interpolation is not necessary and time-dependent metrics are carried in the fluid dynamic equations to account for grid movement.

Deiwert, G. S.↗

Elevation correction factor for absolute pressure measurements

With the arrival of highly accurate multi-port pressure measurement systems, conditions that previously did not affect overall system accuracy must now be scrutinized closely. Errors caused by elevation differences between pressure sensing elements and model pressure taps can be quantified and corrected. With multi-port pressure measurement systems, the sensing elements are connected to pressure taps that may be many feet away. The measurement system may be at a different elevation than the pressure taps due to laboratory space or test article constraints. This difference produces a pressure gradient that is inversely proportional to height within the interface tube. The pressure at the bottom of the tube will be higher than the pressure at the top due to the weight of the tube's column of air. Tubes with higher pressures will exhibit larger absolute errors due to the higher air density. The above effect is well documented but has generally been taken into account with large elevations only. With error analysis techniques, the loss in accuracy from elevation can be easily quantified. Correction factors can be applied to maintain the high accuracies of new pressure measurement systems.

Panek, Joseph W.↗

The effects of advanced spectral line shapes on atmospheric carbon dioxide retrievals

Line shape effects such as speed-dependence and collisional (Dicke) narrowing are manifest in high signal-to-noise ratio laboratory spectra for a wide range of molecular species and sample conditions. However, these effects are usually neglected in spectroscopic models used in remote sensing of atmospheric greenhouse gases. Here, in this study, we examine the effects of line profile choice on laboratory spectra and XCO 2 values retrieved from Total Carbon Column Observing Network (TCCON) spectra. To this end, we utilize limiting cases of the Hartmann-Tran profile (HTP) with shape parameters recently measured by cavity ring-down spectroscopy. Significant differences highlighting the importance of including speed-dependence effects in forward models were observed both in scaling retrievals as well as profile retrievals. However, because of uncertainties associated with the atmospheric temperature gradient, it was not possible to extract accurate carbon column profiles even with inclusion of these new line shape parameters and advanced line profiles.

54 ENVIRONMENTAL SCIENCES↗

Super Resolving Unrolled Neural Networks for Remote Sensing

In remote sensing systems, the capabilities of the system are constrained by the complex interactions between size, weight, and power (SWAP) of potential designs. In electro-optical (EO) systems, examples of these critical parameters include the system’s sensitivity and resolution. Those parameters can be increased by ever larger optical apertures and focal planes but at the cost of more SWAP. Multi-image super resolution (MISR) techniques allow resolution to be enhanced via computation rather than more sophisticated optical hardware. These algorithms combine multiple images together into a single, higher resolution image, trading temporal resolution and computation for spatial resolution. Fielded MISR techniques, such as Drizzle, can require several hundred images to create a single super resolved image, implying reduced temporal resolution, increased data acquisition load, and limiting mission applications. Iterative techniques, such as model-based image reconstruction and compressive sensing, have been shown to create super resolved images using fewer images than Drizzle. They do this by posing an optimization problem that balances accuracy between a highly accurate physical model and an image model. In the case of super resolution, the physical model is defined by the relation between low resolution input images and the desired high resolution output image. The image model encodes some assumptions about the super resolved image. These assumptions are meant to suppress reconstruction artifacts that arise due to deterministic physical model error, stochastic measurement noise, and potential undersampling. In practice, the performance of iterative methods are limited by imaging models compatible with optimization. Deep learning-based methods can effectively learn image models of arbitrary complexity, but lack the theoretical explainability and robustness of iterative techniques. Consensus equilibrium (CE) generalizes the iterative techniques beyond optimization, enabling blackbox algorithms such as traditional and neural image denoisers to be used as the image model. CE-based approaches retain much of the explainability and robustness of iterative techniques while allowing the expressiveness of machine learning image models to be used. Additionally, by unrolling iterations of CE with an embedded image denoiser, the image denoiser can be further trained and specialized to the specific application with potentially higher quality reconstructions. Under this project, we demonstrated the feasibility of training an unrolled neural network based upon CE. While we didn’t train one, we showed that the CE process is differentiable and its gradient can be tractably computed. We also explored the usage of a variants of CE akin to generative neural works. Most importantly, we applied the CE framework to a number of problems including non-blind deconvolution, upsampling, single-image super resolution, MISR, event-based sensing, and saturated deconvolution. Our MISR prototype creates high quality reconstructions with an order of magnitude fewer images than previous approaches and, critically, produces these reconstructions fast enough for practical usage.

47 OTHER INSTRUMENTATION↗

Automatic equalization using the discrete frequency domain.

A new mean-square-error automatic equalizer for synchronous data transmission is developed. It utilizes Rosen's gradient-projection method to optimize parameters in the discrete frequency domain. The algorithm converges (in the mean) for any channel even in the presence of noise. It is shown that for the channels considered, convergence is faster (in a bounded sense) than for comparable time-domain equalizers.

Walzman, T.↗