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At least 775 records · Page 43

Observing System Simulation Experiments as Tools for Investigating the Behavior of Data Assimilation Systems

Data assimilation systems (DAS) are difficult to evaluate in part because there is limited independent data to use for verification of performance. In an Observing System Simulation Experiment (OSSE), the full true state is known exactly, in the form of the Nature Run. The availability of this truth allows the investigation of DAS characteristics in the OSSE framework that are not quantifiable in the real world. The synthetic observations can also be manipulated to test configurations that range from idealized to highly realistic. A sampling of OSSE investigations into the behavior of 3DVar and 4DEnVar DAS and adjoint observation impact estimation tools will be illustrated using the National Aeronautics and Space Administration Global Modeling and Assimilation Office (NASA/GMAO) OSSE.

Prive, Nikki C.↗

Landslide Hazard and Exposure Modelling in Data‐Poor Regions: The Example of the Rohingya Refugee Camps in Bangladesh

Landslide hazards significantly affect economies and populations around the world, but locations where the greatest proportional losses occur are in data‐poor regions where capacity to estimate and prepare for these hazards is most limited. Earth observation (EO) data can fill key knowledge gaps, and can be rapidly used in settings with lower analytical capacity. In this study, we describe a novel series of methods designed to analyze landslide susceptibility, hazard and exposure in the region in and around the Rohingya refugee camps in Bangladesh, where limited data is juxtaposed with a major humanitarian crisis. We demonstrate that a high degree of accuracy is possible even when estimating susceptibility of relatively small landslides. In the context of this example, we also explore how estimates of landslide hazard and exposure are most beneficial to decisions made by humanitarian stakeholders relevant to natural hazards and risk. The unique opportunity to work alongside humanitarian end‐users has allowed us to produce focused products that can be tested while in development. In particular, we stress the importance of communicating the difference between a landslide “early warning system”—for which satellite data may be unsuitable at local scales—and a model that provides relative hazard estimates, where EO may be valuable. The toolbox of methods presented here could be used to generate landslide hazard and exposure maps in other data‐poor regions around the globe.

R A Emberson↗

Landslide Hazard and Exposure Modelling in Data-Poor Regions: The Example of the Rohingya Refugee Camps in Bangladesh

Landslide hazards significantly affect economies and populations around the world, but locations where the greatest proportional losses occur are in data-poor regions where capacity to estimate and prepare for these hazards is most limited. Earth observation (EO) data can fill key knowledge gaps, and can be rapidly used in settings with lower analytical capacity. In this study, we describe a novel series of methods designed to analyze landslide susceptibility, hazard and exposure in the region in and around the Rohingya refugee camps in Bangladesh, where limited data is juxtaposed with a major humanitarian crisis. We demonstrate that a high degree of accuracy is possible even when estimating susceptibility of relatively small landslides. In the context of this example, we also explore how estimates of landslide hazard and exposure are most beneficial to decisions made by humanitarian stakeholders relevant to natural hazards and risk. The unique opportunity to work alongside humanitarian end-users has allowed us to produce focused products that can be tested while in development. In particular, we stress the importance of communicating the difference between a landslide ‘early warning system’ –for which satellite data may be unsuitable at local scales –and a model that provides relative hazard estimates, where EO may be valuable. The toolbox of methods presented here could be used to generate landslide hazard and exposure maps in other data-poor regions around the globe.

R A Emberson↗

Ca X ML: Chemistry‐informed machine learning explains mutual changes between protein conformations and calcium ions in calcium‐binding proteins using structural and topological features

Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium-binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes. However, it is unclear whether the limited experimental data available can be effectively used to train models to accurately predict the charges of calcium-binding protein variants. Here, we developed a chemistry-informed, machine-learning algorithm that implements a game theoretic approach to explain the output of a machine-learning model without the prerequisite of an excessively large database for high-performance prediction of atomic charges. We used the ab initio electronic structure data representing calcium ions and the structures of the disordered segments of calcium-binding peptides with surrounding water molecules to train several explainable models. Network theory was used to extract the topological features of atomic interactions in the structurally complex data dictated by the coordination chemistry of a calcium ion, a potent indicator of its charge state in protein. Our design created a computational tool of Ca X ML, which provided a framework of explainable machine learning model to annotate ionic charges of calcium ions in calcium-binding proteins in response to the chemical changes in an environment. Our framework will provide new insights into protein design for engineering functionality based on the limited size of scientific data in a genome space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Jet stream winds - Comparisons of analyses with independent aircraft data over Southwest Asia

Cruise-level wind data from commercial aircraft are obtained, and these data are compared with operational jet stream analyses over southwest Asia, an area of limited conventional data. Results from an ensemble of 11 cases during January 1989 and individual cases during December 1988-March 1989 are presented. The key results are: (1) European Centre for Medium-Range Weather Forecasts (ECMWF), National Meteorological Center, and United Kingdom Meteorological Office analyses of the subtropical jet in southwest Asia are 11 percent, 17 percent, and 17 percent weaker, respectively, than aircraft observations; (2) analyzed poleward shears range up to 1 f (0.00007/s) compared with up to 3 f (0.00021/s) in the aircraft observations where f is the local Coriolis parameters; (3) the ECMWF errors are largest at the base of the jet; (4) the mean ECMWF core location is latitudinally correct but has an rms latitude variance of 1.5 deg; (5) isolated erroneous radiosondes produce unmeteorological structures in the analyzed subtropical jet stream; and (6) the increased utilization of automated aircraft reports is likely to produce a spurious secular increase in the apparent strength of the jets. The magnitude and spatial extent of the errors seen are near limits of current GCM resolution (100 km) but should be resolvable. The results imply that studies of GCM systematic jet stream wind errors in weather and climate forecasts must be interpreted with caution in this region.

Tenenbaum, J.↗

A description of the software analysis from flight and simulation data of the course cut limiter in the TCV b-737 area navigation computer

During automatic horizontal path captures, the (Terminal Configured Vehicle) B-737 airplane maintained smaller than designed path intercept angles and experienced a sawtooth bank angle oscillation during its turn towards the path. From flight data, it was determined that these anomalies were caused by the improper output of the course cut limiter in the horizontal path control law. The output from the course cut limiter did not obtain its full value and it was calculated stepwise discontinuously. The automatic horizontal path captures were then conducted on the TCV B-737 airplane real-time simulation. The path intercept angles were maintained properly and no bank angle oscillation was encountered. Data showed that the course cut limiter was calculated at its full value in a continuous manner. The intermediate calculations of the course cut limiter in the airplane's navigation computer were rewritten and rescaled in such a manner that truncation errors could be minimized. The horizontal path capture tests were then reflown. The airplane maintained the proper path intercept angle and no bank angle oscillations occurred on any of the tests.

Knox, C. E.↗

RCSB Protein Data Bank: supporting research and education worldwide through explorations of experimentally determined and computationally predicted atomic level 3D biostructures

The Protein Data Bank (PDB) was established as the first open-access digital data resource in biology and medicine in 1971 with seven X-ray crystal structures of proteins. Today, the PDB houses >210 000 experimentally determined, atomic level, 3D structures of proteins and nucleic acids as well as their complexes with one another and small molecules ( e.g. approved drugs, enzyme cofactors). These data provide insights into fundamental biology, biomedicine, bioenergy and biotechnology. They proved particularly important for understanding the SARS-CoV-2 global pandemic. The US-funded Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and other members of the Worldwide Protein Data Bank (wwPDB) partnership jointly manage the PDB archive and support >60 000 `data depositors' (structural biologists) around the world. wwPDB ensures the quality and integrity of the data in the ever-expanding PDB archive and supports global open access without limitations on data usage. The RCSB PDB research-focused web portal at https://www.rcsb.org/ (RCSB.org) supports millions of users worldwide, representing a broad range of expertise and interests. In addition to retrieving 3D structure data, PDB `data consumers' access comparative data and external annotations, such as information about disease-causing point mutations and genetic variations. RCSB.org also provides access to >1 000 000 computed structure models (CSMs) generated using artificial intelligence/machine-learning methods. To avoid doubt, the provenance and reliability of experimentally determined PDB structures and CSMs are identified. Related training materials are available to support users in their RCSB.org explorations.

59 BASIC BIOLOGICAL SCIENCES↗

Newton-Raphson AC Power Flow Convergence Based on Deep Learning Initialization and Homotopy Continuation

Power flow forms the basis of many power system studies. With the increased penetration of renewable energy, grid planners tend to perform multiple power flow simulations under various operating conditions and not just selected snapshots at peak or light load conditions. Getting a converged AC power flow (ACPF) case remains a significant challenge for grid planners especially in large power grid networks. This paper proposes a two-stage approach to improve Newton-Raphson ACPF convergence and was applied to a 6102 bus Electric Reliability Council of Texas (ERCOT) system. The first stage utilizes a deep learning-based initializer with data re-training. Here a deep neural network (DNN) initializer is developed to provide better initial voltage magnitude and angle guesses to aid in power flow convergence. This is because Newton-Raphson ACPF is quite sensitive to the initial conditions and bad initialization could lead to divergence. The DNN initializer includes a data re-training framework that improves the initializer's performance when faced with limited training data. The DNN initializer successfully solved 3,285 cases out of 3,899 non-converging dispatch and performed better than random forest and DC power flow initialization methods. ACPF cases not solved in this first stage are then passed through a hot-starting algorithm based on homotopy continuation with switched shunt control. The hot-starting algorithm successfully converged 416 cases out of the remaining 614 non-converging ACPF dispatch. In conclusion, the combined two-stage approach achieved a 94.9% success rate, by converging a total of 3,701 cases out of the initial 3,899 unsolved cases.

Deep learning↗

Quantitative approaches for including equity in risk and resilience infrastructure planning analyses

Risk and resilience assessments for critical infrastructure focus on myriad objectives, from natural hazard evaluations to optimizing investments. Although research has started to characterize externalities associated with current or possible future states, incorporation of equity priorities at project inception is increasingly being recognized as critical for planning related activities. However, there is no standard methodology that guides development of equity-informed quantitative approaches for infrastructure planning activities. Here, to address this gap, we introduce a logic model that can be tailored to capture nuances about specific geographies and community priorities, effectively incorporating them into different mathematical approaches for quantitative risk assessments. Specifically, the logic model uses a graded, iterative approach to clarify specific equity objectives as well as inform the development of equations being used to support analysis. We demonstrate the utility of this framework using case studies spanning aviation fuel, produced water, and microgrid electricity infrastructures. For each case study, the use of the logic model helps clarify the ways that local priorities and infrastructure needs are used to drive the types of data and quantitative methodologies used in the respective analyses. The explicit consideration of methodological limitations (e.g., data mismatches) and stakeholder engagements serves to increase the transparency of the associated findings as well as effectively integrate community nuances (e.g., ownership of assets) into infrastructure assessments. Such integration will become increasingly important to ensure that planning activities (which occur throughout the lifecycle of the infrastructure projects) lead to long-lasting solutions to meet both energy and sustainable development goals for communities.

community-based↗

A Comparison of Time Series Gap-Filling Methods to Impute Solar Radiation Data

Complete solar resource datasets play a critical role at every stage of solar project phases. However, measured or modeled solar resource data come with significant uncertainties and usually suffer from several issues, including but not limited to, data gaps, data quality issue, etc. In order to mitigate these issues an appropriate data imputation method should be implemented to build a complete and reliable temporal (and spatial) database. Being motivated by this, in this study we compare the performances of eight different gap filling methods extensively by creating random and artificial data gaps in (i) hourly irradiance data for one year using a few locations of the National Solar Radiation Database (NSRDB) and (ii) one-minute ground measurement dataset from Surface Radiation Budget Network (SURFRAD) stations.

clearness index↗

Free jet phenomena in a 90 deg-sharp edge inlet geometry

The effects of free-jet phenomena, jetting, in a 90-deg-sharp-edge inlet tube are analyzed. Mass-limiting flow data and associated pressure profiles for tubes of 53, 64, 73 and 105 L/D with a 90 deg-sharp-edge or orifice-type inlet are compared to Borda-type inlet data to determine bounds of the free-jet phenomena. For smooth tubes the limits appear to be one-dimensional and dependent only on inlet stagnation conditions. The upper L/D boundary is related by stagnation characteristics and the lower bound appears to be saturation conditions at the inlet. It is noted that similar free-jet effects were found for fluid hydrogen indicating that fluid jetting might be common to all fluids flowing through 90 deg-sharp-edge inlet geometries.

Hendricks, R. C.↗

Chromium on Mercury: New Results From the MESSENGER X-Ray Spectrometer and Implications for the Innermost Planet’s Geochemical Evolution

Mercury, the innermost planet, formed under highly reduced conditions, based mainly on surface Fe, S, and Si abundances determined from MESSENGER mission data. The minor element Cr may serve as an independent oxybarometer but only very limited Cr data have been previously reported for Mercury. We report Cr/Si abundances across Mercury's surface based on MESSENGER X-Ray Spectrometer data throughout the spacecraft's orbital mission. The heterogeneous Cr/Si ratio ranges from 3.6 × 10 -5 in the Caloris Basin to 0.0012 within the high-magnesium region, with an average southern hemisphere value of 0.0008 (corresponding to about 200 ppm Cr). Absolute Cr/Si values have systematic uncertainty of at least 30%, but relative variations are more robust. By combining experimental Cr partitioning data along with planetary differentiation modeling, we find that if Mercury formed with bulk chondritic Cr/Al, Cr must be present in the planet's core and differentiation must have occurred at log ƒO 2 in the range of IW-6.5 to IW-2.5 in the absence of sulfides in its interior and a range of IW-5.5 to IW-2 with an FeS layer at the core-mantle boundary. Models with large fractions of Mg-Ca-rich sulfides in Mercury's interior are more compatible with moderately reducing conditions (IW-5.5 to IW-4) owing to the instability of Mg-Ca-rich sulfides at elevated ƒO 2 . These results indicate that if Mercury differentiated at a log ƒO 2 lower than IW-5.5, the presence of sulfides whether in the form of a FeS layer at the top of the core or Mg-Ca-rich sulfides within the mantle would be unlikely.

Larry R. Nittler↗

A Comparison of Time-Series Gap-Filling Methods to Impute Solar Radiation Data: Preprint

Complete solar resource data sets play a critical role at every stage of solar energy projects; however, measured or modeled solar resource data come with significant uncertainties and usually suffer from several issues, including, but not limited to, data gaps and data quality issues. To mitigate these issues, an appropriate data imputation method should be implemented to build a complete and reliable temporal (and spatial) database. Motivated by this, in this study, we extensively compare the performance of eight different gap-filling methods by creating random and artificial data gaps in (i) hourly irradiance data for 1 year using a few locations of the National Solar Radiation Database (NSRDB) and (ii) 1-minute ground measurement data sets from the Surface Radiation Budget Network (SURFRAD) and the National Renewable Energy Laboratory (NREL) stations.

clearness index↗

Finding Uncertainties that Cause the Age Dependence of Dose Limits to Be Immature

Space radiation permissible exposure limits (PEL) are intended to set acceptable levels of cancer risks, and avoid any clinical significant non-cancer effects. The 1989 recommendation of the National Council of Radiation Protection and Measurements (NCRP) recommended a strong age dependence of dose limits that departed drastically from the then mature 1970 dose limits recommendations from the National Academy of Science, which were independent of age. In 2000, the NCRP recommended revised limits that showed a similar trend of risk with age to the 1989 report. In this model, the cancer risk per Sv varies by more than 2-fold for ages between 30- and 50-yr. Therefore for galactic cosmic rays exposure, astronaut age has a larger influence on risk then radiation shielding mass or material composition, vehicle propulsion method, or position in the solar cycle. For considering the control of mission costs and resources, the possibility of using astronaut age as a trade variable in mission design could be considered. However, the uncertainties in describing the age dependence on risk have not been fully explored. We discuss biological factors that influence the age dependence of radiation risks, including susceptibility, expression and latency, and radiation quality. These factors depend not only on the individual s age, but also their genetic sensitivity and interaction with other environmental factors. Epidemiological data is limited in describing the age dependence on risk. The 2005, BEIR VII report recommends an age dependence for cancer risk attributable solely to the life-table disagreeing strongly with the NCRP model. However, BEIR VII also noted the limited power of human data for concomitantly describing both age and age after exposure dependences of cancer risks. Many experimental studies have shown that high LET radiation (e.g., high charge and energy (HZE) nuclei and neutrons) display reduced latency compared to low LET radiation, suggesting distinct biological factors are important. We discuss potential molecular mechanisms that would influence the age dependence of radiation risks. A probability distribution function for the uncertainties in age-dependence of risk models is described and predictions for Mars missions discussed. Our report suggests that theoretical considerations based on new experimental studies are needed to ensure the correct age dependence in space radiation risk models and the resulting Astronaut PEL.

Cucinotta, Francis A.↗

GMSK Modulation for Deep Space Applications

Due to scarcity of spectrum at 8.42 GHz deep space Xband allocation, many deep space missions are now considering the use of higher order modulation schemes instead of the traditional binary phase shift keying (BPSK). One such scheme is pre-coded Gaussian minimum shift keying (GMSK). GMSK is an excellent candidate for deep space missions. GMSK is a constant envelope, bandwidth efficien modulation whose frame error rate (FER) performance with perfect carrier tracking and proper receiver structure is nearly identical to that of BPSK. There are several issues that need to be addressed with GMSK however. Specificall, we are interested in the combined effects of spectrum limitations and receiver structure on the coded performance of the X-band link using GMSK. The receivers that are typically used for GMSK demodulations are variations on offset quadrature phase shift keying (OQPSK) receivers. In this paper we consider three receivers: the standard DSN OQPSK receiver, DSN OQPSK receiver with filte ed input, and an optimum OQPSK receiver with filte ed input. For the DSN OQPSK receiver we show experimental results with (8920, 1/2), (8920, 1/3) and (8920, 1/6) turbo codes in terms of their error rate performance. We also consider the tracking performance of this receiver as a function of data rate, channel code and the carrier loop signal-to-noise ratio (SNR). For the other two receivers we derive theoretical results that will show that for a given loop bandwidth, a receiver structure, and a channel code, there is a lower data rate limit on the GMSK below which a higher SNR than what is required to achieve the required FER on the link is needed. These limits stem from the minimum loop signal-to-noise ratio requirements on the receivers for achieving lock. As a result of this, for a given channel code and a given FER, there could be a gap between the maximum data rate that BPSK can support without violating the spectrum limits and the minimum data rate that GMSK can support with the required FER depending on the type of GMSK receiver that is used.

Communications↗

CFD evaluation of Mach 17 HYPULSE scramjet combustor data

Three-dimensional finite rate chemistry solutions are performed on a single fuel injector configuration. The results are compared with limited experimental data obtained from the HYPULSE expansion tube facility at simulated flight Mach 17 flow conditions. All comparisons, except for wall heat flux, were in excellent agreement. Key findings from this study are useful in interpretation of the experimental measurements.

Bobskill, Glenn J.↗

Patch-Based Convolutional Neural Networks for Multiple Microstructural Features Detection in FIB-SEM Micrographs of Irradiated Nuclear Fuel

Focused ion beam scanning electron microscopy (FIB-SEM) tomography has increasingly been utilized for acquiring three-dimensional (3D) microstructure features at the sub-micron scale in irradiated nuclear materials. This technique involves sequential ion beam slicing followed by electron beam imaging and compositional mapping using energy dispersive spectroscopy (EDS). Despite its growing use, several challenges persist. These include the time-intensive nature of data collection of EDS data, difficulties in distinguishing between various microstructures, and issues with image alignment. These challenges currently limit the broader application of FIB-SEM tomography in the field. To overcome these limitations, we propose using convolutional neural networks (CNNs) to automate microstructure identification in SEM images. Our study introduces a new framework for identifying microstructures in irradiated U-10Zr (wt. %) metallic fuel with limited annotated data. The framework includes the creation of a reliable annotated dataset with paired SEM and ground truth data from EDS maps, the applications of CNNs for microstructure identification, and the validation of model performance. Specifically, we employed the Segment Anything Model (SAM) to align SEM images with corresponding EDS maps and focused ion beam (FIB) tomography SEM data. We evaluate several models, including Patch-based U-Net, Attention U-Net, and Residual U-Net, finding that patch-based U-Net exhibits superior segmentation performance and consistency. This approach reduces reliance on EDS detectors and aids in accelerating nuclear material analysis process, highlighting the potential of advanced deep learning techniques to improve microstructural understanding in nuclear material. This is the first framework to integrate SAM and Patch-based CNN models for semantic segmentation of irradiated nuclear materials, with potential applicability to other tomography datasets.

36 - MATERIALS SCIENCE↗

Enabling Real-time Scattering Data Analysis with Scalable Optimization [Slides]

Diffraction experiments produce datasets with rich multidimensional physics information such as microstructure, equations of state, crystal structure, elastoplastic properties, and other key inputs to LANL mission-essential multiphysics models. This information is typically extracted through a process called Rietveld refinement, which involves selecting appropriate models of the instrument, crystal structure, and microstructure, identifying suitable starting values, and then fitting often hundreds of model parameters using a sequence of empirical parameter turnon/off sequences within a non-global gradient-based optimization. Extensive user expertise is required to properly setup a refinement, identify appropriate models, and select initial parameter values close to truth, such that the refinement will yield parameter values that are optimally predictive. This is a very tedious manual process performed far after the beamline campaign has ended. As facilities have become capable of generating larger volumes of data, the limitation in throughput due to Rietveld refinement has led to a dramatic increase in unanalyzed data as opposed to an intended increase in new science. In our FY22 TED, we demonstrated an integrated toolset providing near real-time automated Rietveld analysis. If this toolset can be optimized to provide automated Rietveld analysis in real-time, this could alleviate the bottleneck in unanalyzed diffraction data, aid in decision-making during experiments, and increase efficiency of the facility.

74 ATOMIC AND MOLECULAR PHYSICS↗