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A convex pseudolikelihood framework for high dimensional partial correlation estimation with convergence guarantees

Sparse high dimensional graphical model selection is a topic of much interest in modern day statistics. A popular approach is to apply l1-penalties to either parametric likelihoods, or regularized regression/pseudolikelihoods, with the latter having the distinct advantage that they do not explicitly assume Gaussianity. As none of the popular methods proposed for solving pseudolikelihood-based objective functions have provable convergence guarantees, it is not clear whether corresponding estimators exist or are even computable, or if they actually yield correct partial correlation graphs. We propose a new pseudolikelihood-based graphical model selection method that aims to overcome some of the shortcomings of current methods, but at the same time retain all their respective strengths. In particular, we introduce a novel framework that leads to a convex formulation of the partial covariance regression graph problem, resulting in an objective function comprised of quadratic forms. The objective is then optimized via a coordinate wise approach. The specific functional form of the objective function facilitates rigorous convergence analysis leading to convergence guarantees; an important property that cannot be established by using standard results, when the dimension is larger than the sample size, as is often the case in high dimensional applications. These convergence guarantees ensure that estimators are well defined under very general conditions and are always computable. In addition, the approach yields estimators that have good large sample properties and also respect symmetry. Furthermore, application to simulated and real data, timing comparisons and numerical convergence is demonstrated. We also present a novel unifying framework that places all graphical pseudolikelihood methods as special cases of a more general formulation, leading to important insights.

97 MATHEMATICS AND COMPUTING↗

Simulating self-powered neutron detector responses to infer burnup-induced power distribution perturbations in next-generation light water reactors

Understanding how 3D power distribution will be monitored throughout reactor core volumetric space in next-generation nuclear power reactors is crucial to the design, deployment, and licensing of these reactors. Although numerous techniques exist for 3D power distribution monitoring based on the response of both in situ and ex situ sensors currently implemented or proposed for use in the US reactor fleet, crucial details about these techniques are often unclear. The publicly available documentation does not include information such as how well these techniques are characterized and optimized in their implementations and the levels of uncertainty in the inferred 3D power distribution. The work described herein investigated a recently developed 3D power distribution inferencing method as applied to two next-generation reactor simulations: (1) the NuScale small modular reactor design and (2) the Westinghouse AP1000 design, both of which contain in-core strings of vanadium self-powered neutron detectors (SPNDs). This investigation considered a range of SPND string sensor densities, as well as a range of 3D power distribution axial segment sizes. In this work, SPND response simulation is informed by neutron flux calculations in representative homogenized cores. For the different sensor densities and power distribution axial segment sizes in these simulations, the average solution error, solver iterations, and run time were tracked to parameterize the sensor-core configuration.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Online Plug-and-Play Algorithm for Regularized Image Reconstruction

Plug-and-play priors (PnP) is a powerful framework for regularizing imaging inverse problems by using advanced denoisers within an iterative algorithm. Recent experimental evidence suggests that PnP algorithms achieve state-of-the-art performance in a range of imaging applications. Here, we introduce a new online PnP algorithm based on the proximal gradient method (PGM). The proposed algorithm uses only a subset of measurements at every iteration, which makes it scalable to very large datasets. We present a new theoretical convergence analysis, for both batch and online variants of PnP-PGM, for denoisers that do not necessarily correspond to proximal operators. We also present simulations illustrating the applicability of the algorithm to image reconstruction in diffraction tomography. Finally, the results in this paper have the potential to expand the applicability of the PnP framework to very large datasets.

97 MATHEMATICS AND COMPUTING↗

Volumetric Assessment of UPRITE Exercises From Marker-Based Motion Capture

BACKGROUND Lack of volumetric data on full-body movement of exercises presents a challenge to ensuring the fit of crew member’s full range of motion on the International Space Station (ISS). The Upright Proprioception Retention via In-flight Training and Evaluation (UPRITE) is a sensorimotor countermeasure device designed for maintaining crew members’ proprioception in a microgravity environment. A footplate—attached to a static base—rotates in two degrees of freedom (pitch and roll) up to a 20 deg angle. An initial volumetric assessment assuming an upright standing posture produced a cone-like shape with a narrow bottom and wide top. Such general volumetric assessments risk creating an overly conservative volume estimate, taking up more space than is necessary on the already limited interior space of the ISS, and neglecting necessary volume due to oversimplifying assumptions. Rather, higher-fidelity volumetric assessments offer more comprehensive insights in an environment where every area counts. The main objective of this work is to provide the spatial parameters of exercises on the UPRITE such that it is placed on the ISS according to its volumetric demands or that usage is adjusted to fit the available space. METHODS In 2023, a data collection was performed originally to inform loads and dynamics of system use and was recently leveraged for volumetric assessment. Three human subjects representing different body types (~63-76 inches in stature) performed a variety of board manipulations using UPRITE with body weight offload. The test collected the 3D positional data of a modified full-body Plug-in Gait marker set [1] via a 16-camera OptiTrack MoCap system. After processing – filling marker gaps and trimming data – in OptiTrack Motive, the recorded marker location data, which included device markers, was exported to a readable trajectory file. To accurately represent the full volume defining landmarks, additional markers were digitally added to an unscaled Modified Full Body Model [2]. The model was then scaled according to its subject parameters upon which an inverse kinematics analysis was performed. A custom plugin yielded model marker location data files. Volumetric analyses were performed on the recorded trajectory and model trajectory files using a custom Python-built tool that extracted the marker location data and plotted it in a 3D space. Concerned with only the maximum volume of the motion, a 3D convex hull analysis was applied to the plot, extracting the vertices or external points of the eventual 3D CAD output, dubbed aptly as a “volume shell”. This overall approach was based on guidance in a NASA-STD-3001 Technical Brief [3]. RESULTS AND DISCUSSION Batch volumetric assessment on the exercises for each subject was performed, producing high-fidelity volume shells in minimal time. Preliminary results highlighted the value in higher-fidelity volumes based on collected data when possible. For example, revolving a single posture in the cone assessment would not have sufficiently captured a single leg stance; rather, it would need to involve swinging the leg both forward and back. Additional observations and the maximal dimensions of the volumes, including those based on scaled data for ISS anthropometric requirements, will be presented at the Human Research Program Investigator’s Workshop. CONCLUSIONS While this work’s primary objective was for the UPRITE-to-ISS integration, the tool built to conduct this analysis has wide applications for future exercise systems as an informational tool for optimal device placement. The tool and its findings also have implications for exercise device design and spacecraft interior considerations on Gateway, the Lunar Pressurized Rover, and beyond. REFERENCES [1] Bell, C. A., et al. (2023) Recent Improvements and Verification of a Full Body Model in OpenSim. NASA Human Research Program Investigator’s Workshop. https://ntrs.nasa.gov/citations/20230001080 [2] Lostroscio, K., et al (2023) The Digital Astronaut Simulation. AHFE International Conference on Human Factors in Design, Engineering, and Computing for All. [3] Exercise Overview. (2023) NASA-STD-3001 Technical Brief. https://www.nasa.gov/wp-content/uploads/2023/12/ochmo-tb-031-exercise-overview.pdf?emrc=9d454c?emrc=9d454c

L D Quinto↗

Exact and Model Exchange-Correlation Potentials for Open-Shell Systems

The conventional approaches to the inverse density functional theory problem typically assume nondegeneracy of the Kohn–Sham (KS) eigenvalues, greatly hindering their use in open-shell systems. Here, we present a generalization of the inverse density functional theory problem that can seamlessly admit degenerate KS eigenvalues. Additionally, we allow for fractional occupancy of the Kohn–Sham orbitals to also handle noninteracting ensemble-v-representable densities, as opposed to just noninteracting pure-v-representable densities. We present the exact exchange-correlation (XC) potentials for six open-shell systems–four atoms (Li, C, N, and O) and two molecules (CN and CH 2 )–using accurate ground-state densities from configuration interaction calculations. We compare these exact XC potentials with model XC potentials obtained using nonlocal (B3LYP, SCAN0) and local/semilocal (SCAN, PBE, PW92) XC functionals. Although the relative errors in the densities obtained from these DFT functionals are of $O$(10 –3 to 10 –2 ), the relative errors in the model XC potentials remain substantially large–$O$(10 –1 to 10 0 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Information-theoretic discrepancy based iterative reconstructions (IDIR) for polychromatic x-ray tomography

Purpose: X-ray photons generated from a typical x-ray source for clinical applications exhibit a broad range of wavelengths, and the interactions between individual particles and biological substances depend on particles' energy levels. Most existing reconstruction methods for transmission tomography, however, neglect this polychromatic nature of measurements and rely on the monochromatic approximation. In this study, we developed a new family of iterative methods that incorporates the exact polychromatic model into tomographic image recovery, which improves the accuracy and quality of reconstruction.Methods: The generalized information-theoretic discrepancy (GID) was employed as a new metric for quantifying the distance between the measured and synthetic data. By using special features of the GID, the objective function for polychromatic reconstruction which contains a double integral over the wavelength and the trajectory of incident x-rays was simplified to a paraboloidal form without using the monochromatic approximation. More specifically, the original GID was replaced with a surrogate function with two auxiliary, energy-dependent variables. Subsequently, the alternating minimization technique was applied to solve the double minimization problem. Based on the optimization transfer principle, the objective function was further simplified to the paraboloidal equation, which leads to a closed-form update formula. Numerical experiments on the beam-hardening correction and material-selective reconstruction were conducted to compare and assess the performance of conventional methods and the proposed algorithms.Results: The authors found that the GID determines the distance between its two arguments in a flexible manner. In this study, three groups of GIDs with distinct data representations were considered. The authors demonstrated that one type of GIDs that comprises “raw” data can be viewed as an extension of existing statistical reconstructions; under a particular condition, the GID is equivalent to the Poisson log-likelihood function. The newly proposed GIDs of the other two categories consist of log-transformed measurements, which have the advantage of imposing linearized penalties over multiple discrepancies. For all proposed variants of the GID, the aforementioned strategy was used to obtain a closed-form update equation. Even though it is based on the exact polychromatic model, the derived algorithm bears a structural resemblance to conventional methods based on the monochromatic approximation. The authors named the proposed approach as information-theoretic discrepancy based iterative reconstructions (IDIR). In numerical experiments, IDIR with raw data converged faster than previously known statistical reconstruction methods. IDIR with log-transformed data exhibited superior reconstruction quality and faster convergence speed compared with conventional methods and their variants.Conclusions: The authors' new framework for tomographic reconstruction allows iterative inversion of the polychromatic data model. The primary departure from the traditional iterative reconstruction was the employment of the GID as a new metric for quantifying the inconsistency between the measured and synthetic data. The proposed methods outperformed not only conventional methods based on the monochromatic approximation but also those based on the polychromatic model. The authors have observed that the GID is a very flexible means to design an objective function for iterative reconstructions. Hence, the authors expect that the proposed IDIR framework will also be applicable to other challenging tasks.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA Tech Briefs, June 2008

Topics covered include: Charge-Control Unit for Testing Lithium-Ion Cells; Measuring Positions of Objects Using Two or More Cameras; Lidar System for Airborne Measurement of Clouds and Aerosols; Radiation-Insensitive Inverse Majority Gates; Reduced-Order Kalman Filtering for Processing Relative Measurements; Spaceborne Processor Array; Instrumentation System Diagnoses a Thermocouple; Chromatic Modulator for a High-Resolution CCD or APS; Commercial Product Activation Using RFID; Cup Cylindrical Waveguide Antenna; Aerobraking Maneuver (ABM) Report Generator; ABM Drag_Pass Report Generator; Transformation of OODT CAS to Perform Larger Tasks; Visualization Component of Vehicle Health Decision Support System; Mars Reconnaissance Orbiter Uplink Analysis Tool; Problem Reporting System; G-Guidance Interface Design for Small Body Mission Simulation; DSN Scheduling Engine; Replacement Sequence of Events Generator; Force-Control Algorithm for Surface Sampling; Tool for Merging Proposals Into DSN Schedules; Micromachined Slits for Imaging Spectrometers; Fabricating Nanodots Using Lift-Off of a Nanopore Template; Making Complex Electrically Conductive Patterns on Cloth; Special Polymer/Carbon Composite Films for Detecting SO2; Nickel-Based Superalloy Resists Embrittlement by Hydrogen; Chemical Passivation of Li+-Conducting Solid Electrolytes; Organic/Inorganic Polymeric Composites for Heat-Transfer Reduction; Composite Cathodes for Dual-Rate Li-Ion Batteries; Improved Descent-Rate Limiting Mechanism; Alignment-Insensitive Lower-Cost Telescope Architecture; Micro-Resistojet for Small Satellites; Using Piezoelectric Devices to Transmit Power through Walls; Miniature Latching Valve; Apparatus for Sampling Surface Contamination; Novel Species of Non-Spore-Forming Bacteria; Chamber for Aerosol Deposition of Bioparticles; Hyperspectral Sun Photometer for Atmospheric Characterization and Vicarious Calibrations; Dynamic Stability and Gravitational Balancing of Multiple Extended Bodies; Simulation of Stochastic Processes by Coupled ODE-PDE; Cluster Inter-Spacecraft Communications; Genetic Algorithm Optimizes Q-LAW Control Parameters; Low-Impact Mating System for Docking Spacecraft; Non-Destructive Evaluation of Materials via Ultraviolet Spectroscopy; Gold-on-Polymer-Based Sensing Films for Detection of Organic and Inorganic Analytes in the Air; and Quantum-Inspired Maximizer.

Source record↗

A manufacturing database of advanced materials used in spacecraft structures

Cost savings opportunities over the life cycle of a product are highest in the early exploratory phase when different design alternatives are evaluated not only for their performance characteristics but also their methods of fabrication which really control the ultimate manufacturing costs of the product. In the past, Design-To-Cost methodologies for spacecraft design concentrated on the sizing and weight issues more than anything else at the early so-called 'Vehicle Level' (Ref: DOD/NASA Advanced Composites Design Guide). Given the impact of manufacturing cost, the objective of this study is to identify the principal cost drivers for each materials technology and propose a quantitative approach to incorporating these cost drivers into the family of optimization tools used by the Vehicle Analysis Branch of NASA LaRC to assess various conceptual vehicle designs. The advanced materials being considered include aluminum-lithium alloys, thermoplastic graphite-polyether etherketone composites, graphite-bismaleimide composites, graphite- polyimide composites, and carbon-carbon composites. Two conventional materials are added to the study to serve as baseline materials against which the other materials are compared. These two conventional materials are aircraft aluminum alloys series 2000 and series 7000, and graphite-epoxy composites T-300/934. The following information is available in the database. For each material type, the mechanical, physical, thermal, and environmental properties are first listed. Next the principal manufacturing processes are described. Whenever possible, guidelines for optimum processing conditions for specific applications are provided. Finally, six categories of cost drivers are discussed. They include, design features affecting processing, tooling, materials, fabrication, joining/assembly, and quality assurance issues. It should be emphasized that this database is not an exhaustive database. Its primary use is to make the vehicle designer aware of some of the most important aspects of manufacturing associated with his/her choice of the structural materials. The other objective of this study is to propose a quantitative method to determine a Manufacturing Complexity Factor (MCF) for each material being contemplated. This MCF is derived on the basis of the six cost drivers mentioned above plus a Technology Readiness Factor which is very closely related to the Technology Readiness Level (TRL) as defined in the Access To Space final report. Short of any manufacturing information, our MCF is equivalent to the inverse of TRL. As more manufacturing information is available, our MCF is a better representation (than TRL) of the fabrication processes involved. The most likely application for MCF is in cost modeling for trade studies. On-going work is being pursued to expand the potential applications of MCF.

Bao, Han P.↗

A Conceptual Approach to Assimilating Remote Sensing Data to Improve Soil Moisture Profile Estimates in a Surface Flux/Hydrology Model: Overview - Part 1

Knowledge of the amount of water in the soil is of great importance to many earth science disciplines. Soil moisture is a key variable in controlling the exchange of water and energy between the land surface and the atmosphere. Thus, soil moisture information is valuable in a wide range of applications including weather and climate, runoff potential and flood control, early warning of droughts, irrigation, crop yield forecasting, soil erosion, reservoir management, geotechnical engineering, and water quality. Despite the importance of soil moisture information, widespread and continuous measurements of soil moisture are not possible today. Although many earth surface conditions can be measured from satellites, we still cannot adequately measure soil moisture from space. Research in soil moisture remote sensing began in the mid 1970s shortly after the surge in satellite development. Recent advances in remote sensing have shown that soil moisture can be measured, at least qualitatively, by several methods. Quantitative measurements of moisture in the soil surface layer have been most successful using both passive and active microwave remote sensing, although complications arise from surface roughness and vegetation type and density. Early attempts to measure soil moisture from space-borne microwave instruments were hindered by what is now considered sub-optimal wavelengths (shorter than 5 cm) and the coarse spatial resolution of the measurements. L-band frequencies between 1 and 3 GHz (10-30 cm) have been deemed optimal for detection of soil moisture in the upper few centimeters of soil. The Electronically Steered Thinned Array Radiometer (ESTAR), an aircraft-based instrument operating a 1,4 GHz, has shown great promise for soil moisture determination. Initiatives are underway to develop a similar instrument for space. Existing space-borne synthetic aperture radars (SARS) operating at C- and L-band have also shown some potential to detect surface wetness. The advantage of radar is its much higher resolution than passive microwave systems, but it is currently hampered by surface roughness effects and the lack of a good algorithm based on a single frequency and single polarization. In addition, its repeat frequency is generally low (about 40 days). In the meantime, two new radiometers offer some hope for remote sensing of soil moisture from space. The Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI), launched in November 1997, possesses a 10.65 GHz channel and the Advanced Microwave Scanning Radiometer (AMSR) on both the ADEOS-11 and Earth Observing System AM-1 platforms to be launched in 1999 possesses a 6.9 GHz channel. Aside from issues about interference from vegetation, the coarse resolution of these data will provide considerable challenges pertaining to their application. The resolution of TMI is about 45 km and that of AMSR is about 70 km. These resolutions are grossly inconsistent with the scale of soil moisture processes and the spatial variability of factors that control soil moisture. Scale disparities such as these are forcing us to rethink how we assimilate data of various scales in hydrologic models. Of particular interest is how to assimilate soil moisture data by reconciling the scale disparity between what we can expect from present and future remote sensing measurements of soil moisture and modeling soil moisture processes. It is because of this disparity between the resolution of space-based sensors and the scale of data needed for capturing the spatial variability of soil moisture and related properties that remote sensing of soil moisture has not met with more widespread success. Within a single footprint of current sensors at the wavelengths optimal for this application, in most cases there is enormous heterogeneity in soil moisture created by differences in landcover, soils and topography, as well as variability in antecedent precipitation. It is difficult to interpret the meaning of 'mean' soil moisture under such conditions and even more difficult to apply such a value. Because of the non-linear relationships between near-surface soil moisture and other variables of interest, such as surface energy fluxes and runoff, mean soil moisture has little applicability at such large scales. It is for these reasons that the use of remote sensing in conjunction with a hydrologic model appears to be of benefit in capturing the complete spatial and temporal structure of soil moisture. This paper is Part I of a four-part series describing a method for intermittently assimilating remotely-sensed soil moisture information to improve performance of a distributed land surface hydrology model. The method, summarized in section II, involves the following components, each of which is detailed in the indicated section of the paper or subsequent papers in this series: Forward radiative transfer model methods (section II and Part IV); Use of a Kalman filter to assimilate remotely-sensed soil moisture estimates with the model profile (section II and Part IV); Application of a soil hydrology model to capture the continuous evolution of the soil moisture profile within and below the root zone (section III); Statistical aggregation techniques (section IV and Part II); Disaggregation techniques using a neural network approach (section IV and Part III); and Maximum likelihood and Bayesian algorithms for inversely solving for the soil moisture profile in the upper few cm (Part IV).

Crosson, William L.↗

Unveiling the Role of In Situ Al 2 O 3 Passivation in Molecular-Ink-Processed CuIn(S,Se) 2 Photovoltaics

Here, we report on the optimization of in situ passivation of ink-based CuIn(S,Se) 2 thin-film solar cells via controlled incorporation of Al 2 O 3 in CuIn(S,Se) 2 films by the addition of Al(NO 3 ) 3 to the molecular ink precursor. For this purpose, the Al/(Al + In) (AAI) metal ratio was varied from 0.05 to 0.30. We observe that the efficiency of the cells made of Al 2 O 3 -incorporated CuIn(S,Se) 2 is consistently higher than those without Al 2 O 3 , especially due to an improvement in open-circuit voltage (V OC ) and fill factor (FF), for all tested AAI ratios. With an AAI of 0.05, a maximum efficiency of 11.2% and an average efficiency of 8.5% (measured across 18 cells) was achieved, compared to 8.5% maximum efficiency and 6.5% average efficiency for Al-free CuIn(S,Se) 2 . Furthermore, we find that cells made of Al 2 O 3 -incorporated CuIn(S,Se) 2 with an AAI of 0.2 show a narrow distribution in the photovoltaic performance, indicating higher reproducibility and higher FF. Energy-dispersive X-ray spectroscopy shows that, at AAI = 0.2, Al 2 O 3 is distributed more homogeneously at the surface of the Al 2 O 3 -incorporated CISSe. Capacitance-voltage measurements reveal a reduced defect density by incorporation of Al 2 O 3 , which could be partly responsible for the higher V OC . Furthermore, using detailed surface analysis with various X-ray and electron spectroscopy methods, we derive chemical and electronic structure information from the surface. With ultraviolet photoelectron (UPS) and inverse photoemission spectroscopies (IPES), the electronic band gap of the CuIn(S,Se) 2 thin-film surface is found to increase from 1.22 to 1.88 eV (+-0.12 eV) with Al 2 O 3 incorporation. This is accompanied by a clear reduction of the conduction band spike at the CdS/CISSe interface due to Al 2 O 3 addition, as derived by both UPS and IPES as well as temperature-dependent V OC measurements.

14 SOLAR ENERGY↗

Nonnegative tensor factorization for contaminant source identification

Unsupervised Machine Learning (ML) is becoming increasingly popular for solving various types of data analytics problems including feature extraction, blind source separation, exploratory analyses, model diagnostics, etc. In this work, we have developed a new unsupervised ML method based on Nonnegative Tensor Factorization (NTF) for identification of the original groundwater types (including contaminant sources) present in geochemical mixtures observed in an aquifer. Frequently, groundwater types with different geochemical signatures are related to different background and/or contamination sources. The characterization of groundwater mixing processes is a challenging but very important task critical for any environmental management project aiming to characterize the fate and transport of contaminants in the subsurface and perform contaminant remediation. This task typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. Additionally, the application of inverse methods may introduce biases in the analyses through the assumptions made in the model development process. Here, we substitute the model inversion with unsupervised ML analysis. The ML analysis does not make any assumptions about underlying physical and geochemical processes occurring in the aquifer. Our ML methodology, called NTFk, is capable of identifying (1) the unknown number of groundwater types (contaminant sources) present in the aquifer, (2) the original geochemical concentrations (signatures) of these groundwater types and (3) spatial and temporal dynamics in the mixing of these groundwater types. These results are obtained only from the measured geochemical data without any additional site information. In general, the NTFk methodology allows for interpretation of large high-dimensional datasets representing diverse spatial and temporal components such as state variables and velocities. NTFk has been tested on synthetic and real-world site three-dimensional datasets. Finally, the NTFk algorithm is designed to work with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

58 GEOSCIENCES↗

Uncertainties in Coastal Ocean Color Products: Impacts of Spatial Sampling

With increasing demands for ocean color (OC) products with improved accuracy and well characterized, per-retrieval uncertainty budgets, it is vital to decompose overall estimated errors into their primary components. Amongst various contributing elements (e.g., instrument calibration, atmospheric correction, inversion algorithms) in the uncertainty of an OC observation, less attention has been paid to uncertainties associated with spatial sampling. In this paper, we simulate MODIS (aboard both Aqua and Terra) and VIIRS OC products using 30 m resolution OC products derived from the Operational Land Imager (OLI) aboard Landsat-8, to examine impacts of spatial sampling on both cross-sensor product intercomparisons and in-situ validations of R(sub rs) products in coastal waters. Various OLI OC products representing different productivity levels and in-water spatial features were scanned for one full orbital-repeat cycle of each ocean color satellite. While some view-angle dependent differences in simulated Aqua-MODIS and VIIRS were observed, the average uncertainties (absolute) in product intercomparisons (due to differences in spatial sampling) at regional scales are found to be 1.8%, 1.9%, 2.4%, 4.3%, 2.7%, 1.8%, and 4% for the R(sub rs)(443), R(sub rs)(482), R(sub rs)(561), R(sub rs)(655), Chla, K(sub d)(482), and b(sub bp)(655) products, respectively. It is also found that, depending on in-water spatial variability and the sensor's footprint size, the errors for an in-situ validation station in coastal areas can reach as high as +/- 18%. We conclude that a) expected biases induced by the spatial sampling in product intercomparisons are mitigated when products are averaged over at least 7 km × 7 km areas, b) VIIRS observations, with improved consistency in cross-track spatial sampling, yield more precise calibration/validation statistics than that of MODIS, and c) use of a single pixel centered on in-situ coastal stations provides an optimal sampling size for validation efforts. These findings will have implications for enhancing our understanding of uncertainties in ocean color retrievals and for planning of future ocean color missions and the associated calibration/validation exercises.

Coastal ocean color↗

Short-term variation in leaf-level water use efficiency in a tropical forest

Here we report the representation of stomatal regulation of transpiration and CO 2 assimilation is key to forecasting terrestrial ecosystem responses to global change. Given its importance in determining the relationship between forest productivity and climate, accurate and mechanistic model representation of the relationship between stomatal conductance (g s ) and assimilation is crucial. We assess possible physiological and mechanistic controls on the estimation of the g 1 (stomatal slope, inversely proportional to water use efficiency) and g 0 (stomatal intercept) parameters, using diurnal gas exchange surveys and leaf level response curves of six tropical broadleaf evergreen tree species. g 1 estimated from ex-situ response curves averaged 50% less than g 1 estimated from survey data. While g 0 and g 1 varied between leaves of different phenological stages, the trend was not consistent among species. We identified a diurnal trend associated with g 1 and g 0 that significantly improved model projections of diurnal trends in transpiration. The accuracy of modelled g s can be improved by accounting for variation in stomatal behavior across diurnal periods, and between measurement approaches, rather than focusing on phenological variation in stomatal behavior. Additional investigation into the primary mechanisms responsible for diurnal variation in g 1 will be required to account for this phenomena in land surface models.

54 ENVIRONMENTAL SCIENCES↗

An Integrated Hydrological and Water Management Study of the Entire Nile River System - Lake Victoria to Nile Delta

The Nile basin River system spans 3 million km(exp 2) distributed over ten nations. The eight upstream riparian nations, Ethiopia, Eretria, Uganda, Rwanda, Burundi, Congo, Tanzania and Kenya are the source of approximately 86% of the water inputs to the Nile, while the two downstream riparian countries Sudan and Egypt, presently rely on the river's flow for most of the their needs. Both climate and agriculture contribute to the complicated nature of Nile River management: precipitation in the headwaters regions of Ethiopia and Lake Victoria is variable on a seasonal and inter-annual basis, while demand for irrigation water in the arid downstream region is consistently high. The Nile is, perhaps, one of the most difficult trans-boundary water issue in the world, and this study would be the first initiative to combine NASA satellite observations with the hydrologic models study the overall water balance in a to comprehensive manner. The cornerstone application of NASA's Earth Science Research Results under this project are the NASA Land Data Assimilation System (LDAS) and the USDA Atmosphere-land Exchange Inverse (ALEXI) model. These two complementary research results are methodologically independent methods for using NASA observations to support water resource analysis in data poor regions. Where an LDAS uses multiple sources of satellite data to inform prognostic simulations of hydrological process, ALEXI diagnoses evapotranspiration and water stress on the basis of thermal infrared satellite imagery. Specifically, this work integrates NASA Land Data Assimilation systems into the water management decision support systems that member countries of the Nile Basin Initiative (NBI) and Regional Center for Mapping of Resources for Development (RCMRD, located in Nairobi, Kenya) use in water resource analysis, agricultural planning, and acute drought response to support sustainable development of Nile Basin water resources. The project is motivated by the recognition that accurate, frequent, and spatially distributed estimates of the water balance are necessary for effective water management. This creates a challenge for watersheds that are large, include data poor regions, and/or span multiple nations. All of these descriptors apply to the Nile River basin, yet successful management of the Nile is critical for development and political stability in the region. For this reason, improved hydrological data to support cooperative water management in the Nile basin is a priority for USAID, the US State Department, the World Bank and other international organizations. In this project, the U.S. based research team is working with partners at RCMRD, Nile Basin Initiative (NBI), and their member national-level agencies to develop satellite-based land cover maps, satellite-derived evapotranspiration estimates (using the ALEXI algorithm), and NASA's Land Data Assimilation System (LDAS) customized to match identified information needs. The cornerstone applied sciences product of the project is the development of a customized "Nile LDAS" that will produce optimal estimates of hydrological states and fluxes, as vetted against the in situ observations of NBI and RCMRD member organizations and independent satellite-derived hydrological estimates. Nile LDAS will be applied to improve the reliability of emerging Decision Support Systems in applications that include drought monitoring, reservoir management, and irrigation planning. The end-users such as RCMRD, NBI, Ethiopian and Kenya Meteorological and Famine Early Warning System Network (FEWSNet) will be the eventual benefactors of this work. There will be a capacity building process involving the above end-user organizations and transfer the models and the results for these organizations to execute for future use. The team has already initiated this study and the early results of first years' work are shown. The plan is to complete this work by late 2013.

Habib, Shahid↗

Three-dimensional NDE of VHTR core components via simulation-based testing. Final report

A next generation, simulation-driven-and-enabled testing platform is developed for the 3D detection and characterization of defects and damage in nuclear graphite and composite structures in Very High Temperature Reactors (VHTRs). The proposed work addresses the critical need for the development of high-fidelity Non-Destructive Examination (NDE) technologies for as-manufactured and replaceable in-service VHTR components. Centered around the novel use of elastic (sonic and ultrasonic) waves, this project deploys a robust, non-iterative inverse solution for the 3D defect reconstruction together with a non-contact, laser-based approach to the measurement of experimental waveforms in VHTR core components. In particular, this research (1) deploys three-dimensional Scanning Laser Doppler Vibrometry (3D SLDV) as a means to accurately and remotely measure 3D displacement waveforms over the accessible surface of a VHTR core component excited by mechanical vibratory source; (2) implements a powerful new inverse technique, based on the concept of Topological Sensitivity (TS), for non-iterative elastic waveform tomography of internal defects - that permits robust 3D detection, reconstruction and characterization of discrete damage (e.g. holes and fractures) in nuclear graphite from limited-aperture NDE measurements; (3) implements state-of-the art computational (finite element) model that caters for accurately simulating elastic wave propagation in 3D blocks of nuclear graphite; (4) integrates the SLDV testing methodology with the TS imaging algorithm into a non-contact, high-fidelity NDE platform for the 3D reconstruction and characterization of defects and damage in VHTR core components; and (5) applies the proposed methodology to VHTR core component samples (both two- and three-dimensional) with a priori induced, discrete damage in the form of holes and fractures. Overall, the newly established SLDV-TS testing platform represents a next-generation NDE tool that surpasses all existing techniques for the 3D ultrasonic imaging of material damage from non-contact, limited-aperture waveform measurements. Outlook. The next stage in the development of this technology includes items such as (a) non-contact generation of mechanical vibrations in VHTR components via thermal expansion created by high-intensity laser; (b) development and incorporation of Synthetic Aperture Focusing Technique (SAFT) for elevating the accuracy of 3D imaging in highly noisy environments with minimal accessible surface; (c) further analytical and computational developments to facilitate the reconstruction of diffuse damage (e.g. microcracks) in nuclear graphite as they lead to the dispersion of elastic waves, (d) concept of model updating for accurate tracking of the evolution of material damage via periodic inspections; (d) adoption of the Bayesian framework to obtain information on the certainty of obtained images; and (e) optimization of the computational scheme toward real-time, model-based imaging of damage in VHTR core components.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An ant-nest-like cathode substrate for lithium-sulfur batteries with practical cell fabrication parameters

We report that electrochemical performances of lithium-sulfur batteries have received much progress in recent years. However, their practical deployment encounters challenges with respect to optimizing the cell-fabrication parameters (e.g., amounts of the active material and electrolyte). We present here an “ant-nest-like” cathode substrate with unique architecture to synchronously attain high electrochemical performance and necessary cell-fabrication parameters. The cells with a high sulfur loading (11.5 mg cm -2 ), a high sulfur content (75 wt.%), and a low electrolyte/sulfur ratio (9 μL mg -1 ) display a high areal capacity and energy density of, respectively, 7 mA h cm -2 and 14 mW h cm -2 with a capacity retention of 70% after 150 cycles. Moreover, the cells exhibit a low self-discharge behavior with a low self-discharge constant of 0.0013 per day and a long rest period of one month. Lastly, these dynamic and static electrochemical stabilities are attributed to the ant-nest-like structure and low surface area of the cathode substrate that allows, respectively, the accommodation and encapsulation of a high amount of active material and reduces the consumption of electrolyte.

25 ENERGY STORAGE↗

Recent Developments of Thermal Protection Materials to Enable Lower Cost Space Missions

Introduction: Starting with the Commercial Crew Program, a new paradigm has emerged at NASA. Rather than designing rockets and spacecrafts for every mission optimized to achieve science, NASA has begun to use a service-based model and utilizing public-private partnership in developing the vehicles that can bring broader benefits as well as lower the cost for NASA missions. Commercial companies own and operate those vehicles. This allows NASA to not design missions from the bottom up, and has cost, risk, and schedule savings implications. On the other side, the constraints require meeting the requirements in terms of mass, volume, power, etc. By leveraging NASA developed technologies, commercial companies can quickly demonstrate the commercial mission concept, and, through technology transfer, adopt needed technology to address supply chain problems. A downside is that the technology has to be sufficiently mature to be transferred by NASA, which means that it requires significant investment, expertise, and time to develop. Space entities are focused on rapid development with an emphasis on manufacturing and integration innovation with reduced cost and schedule and quick entrance into the market. Thermal Protection Systems (TPS) are mission critical, but their development takes years, and involve access to arc jets or unique test facilities. Therefore, their development is both risky and investment heavy. NASA ARC developed several new TPS materials over the last decade (C-PICA, HEEET, 3MDCP, 3DMAT, ADEPT woven TPS) and brought them to high TPS maturity, making them enablers for commercials space missions from LEO, Lunar Sample Return, Mars, and Venus missions. LEO missions are relevant to future Mars missions due to the comparable entry conditions. External Partners' Missions: C-PICA is a recent improvement on NASA’s heritage PICA lightweight TPS ablator. C-PICA is now considered an enabling technology for New Frontiers and other NASA missions. C-PICA was infused into several missions from external partners. Varda Space Industries’ Winnebago-1 spacecraft successfully returned to Earth from LEO on Feb. 21st, 2024, using a C-PICA heatshield. Inversion Space’s Ray vehicle will test both ARC’s C-PICA and SIRCA TPS materials on a LEO return mission later in 2024. The Kentucky Re-Entry Probe Experiment (KREPE) is another example of a low-cost flight experiment to demonstrate the use of small entry capsules to gather data with three instrumented Kentucky Re-entry and Universal Payload System (KRUPS) capsules. NASA Arc provided C-PICA and Soft-PICA for two of the next KRUPS capsules scheduled to re-enter Earth from the ISS later in 2024. Finally, Rocket Lab’s low-cost mission to Venus, scheduled to launch in December 2024, will search for habitable conditions in Venus’ cloud layer, making use of NASA ARC provided HEEET insulation layer heat shield, and SIRCA backshell TPS materials. Future NASA Missions: NASA’s ability to help commercial missions can lead to future low-cost missions for several reasons: Competition encourages lower cost; technology maturation is now done at an integrated system level; and a common design architecture between commercial and scientific applications requires no specialized engineering design. From an engineering perspective, both of these commercial LEO capsules aforementioned are capable of a Mars entry; the commercial payload mut be replaced with as science payload. Finally, several NASA mission concepts, that could be candidates for future SIMPLEx program calls, such as VATMOS-SR and Nephele, both proposing to target the Venusian atmosphere, would make use of the HEEET insulation layer TPS for part of their heat shield.

TPS materials↗

Recent Developments of Thermal Protection Materials to Enable Lower Cost Space Missions

Introduction: Starting with the Commercial Crew Program, a new paradigm has emerged at NASA. Rather than designing rockets and spacecrafts for every mission optimized to achieve science, NASA has begun to use a service-based model and utilizing public-private partnership in developing the vehicles that can bring broader benefits as well as lower the cost for NASA missions. Commercial companies own and operate those vehicles. This allows NASA to not design missions from the bottom up, and has cost, risk, and schedule savings implications. On the other side, the constraints require meeting the requirements in terms of mass, volume, power, etc. By leveraging NASA developed technologies, commercial companies can quickly demonstrate the commercial mission concept, and, through technology transfer, adopt needed technology to address supply chain problems. A downside is that the technology has to be sufficiently mature to be transferred by NASA, which means that it requires significant investment, expertise, and time to develop. Space entities are focused on rapid development with an emphasis on manufacturing and integration innovation with reduced cost and schedule and quick entrance into the market. Thermal Protection Systems (TPS) are mission critical, but their development takes years, and involve access to arc jets or unique test facilities. Therefore, their development is both risky and investment heavy. NASA ARC developed several new TPS materials over the last decade (C-PICA, HEEET, 3MDCP, 3DMAT, ADEPT woven TPS) and brought them to high TPS maturity, making them enablers for commercials space missions from LEO, Lunar Sample Return, Mars, and Venus missions. LEO missions are relevant to future Mars missions due to the comparable entry conditions. External Partners' Missions: C-PICA is a recent improvement on NASA’s heritage PICA lightweight TPS ablator. C-PICA is now considered an enabling technology for New Frontiers and other NASA missions. C-PICA was infused into several missions from external partners. Varda Space Industries’ Winnebago-1 spacecraft successfully returned to Earth from LEO on Feb. 21st, 2024, using a C-PICA heatshield. Inversion Space’s Ray vehicle will test both ARC’s C-PICA and SIRCA TPS materials on a LEO return mission later in 2024. The Kentucky Re-Entry Probe Experiment (KREPE) is another example of a low-cost flight experiment to demonstrate the use of small entry capsules to gather data with three instrumented Kentucky Re-entry and Universal Payload System (KRUPS) capsules. NASA Arc provided C-PICA and Soft-PICA for two of the next KRUPS capsules scheduled to re-enter Earth from the ISS later in 2024. Finally, Rocket Lab’s low-cost mission to Venus, scheduled to launch in December 2024, will search for habitable conditions in Venus’ cloud layer, making use of NASA ARC provided HEEET insulation layer heat shield, and SIRCA backshell TPS materials. Future NASA Missions: NASA’s ability to help commercial missions can lead to future low-cost missions for several reasons: Competition encourages lower cost; technology maturation is now done at an integrated system level; and a common design architecture between commercial and scientific applications requires no specialized engineering design. From an engineering perspective, both of these commercial LEO capsules aforementioned are capable of a Mars entry; the commercial payload mut be replaced with as science payload. Finally, several NASA mission concepts, that could be candidates for future SIMPLEx program calls, such as VATMOS-SR and Nephele, both proposing to target the Venusian atmosphere, would make use of the HEEET insulation layer TPS for part of their heat shield.

TPS materials↗