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DOE OSTI2025

Robust error calibration for serial crystallography

Serial crystallography is an important technique with unique abilities to resolve enzymatic transition states, minimize radiation damage to sensitive metalloenzymes and perform de novo structure determination from micrometre-sized crystals. This technique requires the merging of data from thousands of crystals, making manual identification of errant crystals unfeasible. cctbx.xfel.merge uses filtering to remove problematic data. However, this process is imperfect, and data reduction must be robust to outliers. We add robustness to cctbx.xfel.merge at the step of uncertainty determination for reflection intensities. This step is a critical point for robustness because it is the first step where the data sets are considered as a whole, as opposed to individual lattices. Robustness is conferred by reformulating the error-calibration procedure to have fewer and less stringent statistical assumptions and incorporating the ability to down-weight low-quality lattices. We then apply this method to five macromolecular XFEL data sets and observe the improvements to each. The appropriateness of the intensity uncertainties is demonstrated through internal consistency. This is performed through theoretical CC 1/2 and I /σ relationships and by weighted second moments, which use Wilson's prior to connect intensity uncertainties with their expected distribution. This work presents new mathematical tools to analyze intensity statistics and demonstrates their effectiveness through the often underappreciated process of uncertainty analysis.

Mittan-Moreau, David W.↗

NASA NTRS1977

Flight test techniques for wake-vortex minimization studies

Flight test techniques developed for use in a study of wake turbulence and used recently in flight studies of wake minimization methods are discussed. Flow visualization was developed as a technique for qualitatively assessing minimization methods and is required in flight test procedures for making quantitative measurements. The quantitative techniques are the measurement of the upset dynamics of an aircraft encountering the wake and the measurement of the wake velocity profiles. Descriptions of the instrumentation and the data reduction and correlation methods are given.

Jacobsen, R. A.↗

NASA NTRS1991

The Solar Oscillations Investigation-Michelson Doppler Imager for SOHO

The Solar Oscillations Investigation-Michelson Doppler Imager (SOI-MDI) for the SOHO (Solar and Heliospheric Observatory) mission is intended to investigate the solar interior using helioseismology techniques. The SOI program consists of a coordinated set of observations intended to address a set of science objectives, an MDI instrument, and a facility that will provide data reduction and analysis capability. The MDI instrument will take filtergrams to measure LOS velocity, line and continuum intensity, and LOS magnetic fields with both 4 and 1.2 arcsec resolution, The SOI study is designed to take advantage of the anticipated SOHO telemetry by organizining the observations into four programs: structure (at all times), dynamics (two months per year), campaign (eight hours per day, 10 months per year), and magnetic field (a few minutes per day).

Scherrer, P. H.↗

NASA NTRS1996

Oscillating-Flow Regenerator Test Rig: Hardware and Theory With Derived Correlations for Screens and Felts

A number of wire mesh and metal felt test samples, with a range of porosities, yield generic correlations for friction factor, Nusselt number, enhanced axial conduction ratio, and overall heat flux ratio. This information is directed primarily toward stirling cycle regenerator modelers, but will be of use to anyone seeking to better model fluid flow through these porous materials. Behind these results lies an oscillating-flow test rig, which measures pumping dissipation and thermal energy transport in sample matrices, and several stages of data-reduction software, which correlate instantaneous values for the above dimensionless groups. Within the software, theoretical model reduces instantaneous quantifies from cycle-averaged measurables using standard parameter estimation techniques.

Gedeon, D.↗

NASA NTRS2006

Recent Improvements in Semi-Span Testing at the National Transonic Facility (Invited)

Three wind tunnel investigations of a commercial transport, high-lift, semi-span configuration have recently been conducted in the National Transonic Facility at the NASA Langley Research Center. Throughout the course of these investigations multiple improvements have been developed in the facility semi-span test capability. The primary purpose of the investigations was to assess Reynolds number scale effects on a modern commercial transport configuration up to full-scale flight test conditions (Reynolds numbers on the order of 27 million). The tests included longitudinal aerodynamic studies at subsonic takeoff and landing conditions across a range of Reynolds numbers from that available in conventional wind tunnels up to flight conditions. The purpose of this paper is to discuss lessons learned and improvements incorporated into the semi-span testing process. Topics addressed include enhanced thermal stabilization and moisture reduction procedures, assessments and improvements in model sealing techniques, compensation of model reference dimensions due to test temperature, significantly improved semi-span model access capability, and assessments of data repeatability.

Gatlin, Gregory M.↗

NASA NTRS2006

Recent Improvements in Semi-Span Testing at the National Transonic Facility (Invited)

Gatlin, G. M.↗

NASA NTRS2012

The Development of Models for Carbon Dioxide Reduction Technologies for Spacecraft Air Revitalization

Through the respiration process, humans consume oxygen (O2) while producing carbon dioxide (CO2) and water (H2O) as byproducts. For long term space exploration, CO2 concentration in the atmosphere must be managed to prevent hypercapnia. Moreover, CO2 can be used as a source of oxygen through chemical reduction serving to minimize the amount of oxygen required at launch. Reduction can be achieved through a number of techniques. NASA is currently exploring the Sabatier reaction, the Bosch reaction, and co- electrolysis of CO2 and H2O for this process. Proof-of-concept experiments and prototype units for all three processes have proven capable of returning useful commodities for space exploration. All three techniques have demonstrated the capacity to reduce CO2 in the laboratory, yet there is interest in understanding how all three techniques would perform at a system level within a spacecraft. Consequently, there is an impetus to develop predictive models for these processes that can be readily rescaled and integrated into larger system models. Such analysis tools provide the ability to evaluate each technique on a comparable basis with respect to processing rates. This manuscript describes the current models for the carbon dioxide reduction processes under parallel developmental efforts. Comparison to experimental data is provided were available for verification purposes.

Swickrath, Michael J.↗

NASA NTRS1984

Maximum likelihood algorithm using an efficient scheme for computing sensitivities and parameter confidence intervals

Improved techniques for estimating airplane stability and control derivatives and their standard errors are presented. A maximum likelihood estimation algorithm is developed which relies on an optimization scheme referred to as a modified Newton-Raphson scheme with estimated sensitivities (MNRES). MNRES determines sensitivities by using slope information from local surface approximations of each output variable in parameter space. The fitted surface allows sensitivity information to be updated at each iteration with a significant reduction in computational effort compared to integrating the analytically-determined sensitivity equations or using a finite difference scheme. An aircraft estimation problem is solved using real flight data to compare MNRES with the commonly used modified Newton-Raphson technique; MNRES is found to be faster and more generally applicable. Parameter standard errors are determined using a random search technique. The confidence intervals obtained are compared with Cramer-Rao lower bounds at the same confidence level. It is observed that the nonlinearity of the cost function is an important factor in the relationship between Cramer-Rao bounds and the error bounds determined by the search technique.

Murphy, P. C.↗

NASA NTRS2016

Near Real-Time Flood Monitoring and Impact Assessment Systems

Floods are the costliest natural disaster, causing approximately 6.8 million deaths in the twentieth century alone. Worldwide economic flood damage estimates in 2012 exceed $19 Billion USD. Extended duration floods also pose longer term threats to food security, water, sanitation, hygiene, and community livelihoods, particularly in developing countries. Projections by the Intergovernmental Panel on Climate Change (IPCC) suggest that precipitation extremes, rainfall intensity, storm intensity, and variability are increasing due to climate change. Increasing hydrologic uncertainty will likely lead to unprecedented extreme flood events. As such, there is a vital need to enhance and further develop traditional techniques used to rapidly assess flooding and extend analytical methods to estimate impacted population and infrastructure. Measuring flood extent in situ is generally impractical, time consuming, and can be inaccurate. Remotely sensed imagery acquired from space-borne and airborne sensors provides a viable platform for consistent and rapid wall-to-wall monitoring of large flood events through time. Terabytes of freely available satellite imagery are made available online each day by NASA, ESA, and other international space research institutions. Advances in cloud computing and data storage technologies allow researchers to leverage these satellite data and apply analytical methods at scale. Repeat-survey earth observations help provide insight about how natural phenomena change through time, including the progression and recession of floodwaters. In recent years, cloud-penetrating radar remote sensing techniques (e.g., Synthetic Aperture Radar) and high temporal resolution imagery platforms (e.g., MODIS and its 1-day return period), along with high performance computing infrastructure, have enabled significant advances in software systems that provide flood warning, assessments, and hazard reduction potential. By incorporating social and economic data, researchers can develop systems that automatically quantify the socioeconomic impacts resulting from flood disaster events.

Ahamed, Aakash↗

NASA NTRS2013

Validating an Air Traffic Management Concept of Operation Using Statistical Modeling

Validating a concept of operation for a complex, safety-critical system (like the National Airspace System) is challenging because of the high dimensionality of the controllable parameters and the infinite number of states of the system. In this paper, we use statistical modeling techniques to explore the behavior of a conflict detection and resolution algorithm designed for the terminal airspace. These techniques predict the robustness of the system simulation to both nominal and off-nominal behaviors within the overall airspace. They also can be used to evaluate the output of the simulation against recorded airspace data. Additionally, the techniques carry with them a mathematical value of the worth of each prediction-a statistical uncertainty for any robustness estimate. Uncertainty Quantification (UQ) is the process of quantitative characterization and ultimately a reduction of uncertainties in complex systems. UQ is important for understanding the influence of uncertainties on the behavior of a system and therefore is valuable for design, analysis, and verification and validation. In this paper, we apply advanced statistical modeling methodologies and techniques on an advanced air traffic management system, namely the Terminal Tactical Separation Assured Flight Environment (T-TSAFE). We show initial results for a parameter analysis and safety boundary (envelope) detection in the high-dimensional parameter space. For our boundary analysis, we developed a new sequential approach based upon the design of computer experiments, allowing us to incorporate knowledge from domain experts into our modeling and to determine the most likely boundary shapes and its parameters. We carried out the analysis on system parameters and describe an initial approach that will allow us to include time-series inputs, such as the radar track data, into the analysis

Statistical emulation↗

DOE OSTI2025

Moltensaltpropnet

MoltenSaltPropnet is a physics-informed machine learning framework that aims to predict the thermophysical properties of molten fluoride and chloride salt mixtures, which are crucial for the design and safety of Generation IV molten salt reactors. The code processes data from the Molten-Salt Thermal Properties Database (MSTDB-TP) and the Janz compendium, converting critically evaluated correlations into fast, differentiable surrogate models for density, viscosity, thermal conductivity, and heat capacity across 448 distinct salt systems. The implementation consists of several key components: 1. Data Curation: The code parses and cleans the raw data, normalizing elemental mole fractions and extracting relevant regression coefficients for various thermophysical properties. 2. Feature Engineering: It generates fixed-length numerical descriptors that encapsulate the composition and temperature, incorporating polynomial interaction terms and dimensionality-reduction techniques to optimize model performance. 3. Coefficient Learning: Four different machine learning architectures are employed: a deep residual network (ResNet), a Kolmogorov–Arnold network (KAN), a sparsity-inducing neural network (SNN), and classical regression models. Each model learns to predict coefficients that define the temperature-dependent correlations for the thermophysical properties. 4. Property Reconstruction: The predicted coefficients are used to compute temperature-dependent property values, ensuring positivity and monotonic trends through a composite loss function that enforces physical constraints. 5. User Interface: An open-source web application enables users to filter the database, train task-specific models, and visualize the results, allowing for rapid exploration of candidate salt mixtures. MoltenSaltPropnet bridges the gap between limited experimental data and high-fidelity reactor simulations, providing a powerful tool for researchers in the field of molten salt reactors and advanced nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

DOE OSTI2025

Searching for Neutrino Tridents in the NOvA Near Detector

This dissertation presents a search for neutrino trident production in the NOvA near detector through the coherent ``dimuon" channel: $\nu_\mu +\hspace{1pt}\text{X} \rightarrow \nu_\mu + \mu^- + \mu^+ +\hspace{1pt}\text{X}$. Trident production is a rare, purely electroweak process with sensitivity to physics beyond the Standard Model. The theoretical background, motivation for studying the process, and previous experimental measurements are reviewed. The analysis uses data collected by the NOvA near detector (ND) from Fermilab's Neutrinos at the Main Injector (NuMI) beam between November 2014 and February 2024, corresponding to an exposure of $25.5\times 10^{20}$ protons on target. The ND is a segmented tracking calorimeter located 800~m from the beam target, receiving neutrinos with a mean energy of 2~GeV. A multi-pass background reduction strategy is implemented, including the development of a novel dimuon-specific tracking technique. Trident candidates are identified using a boost ed decision tree classifier trained on simulated signal and background events. Limited background Monte Carlo statistics necessitate the use of functional fits to sideband data, which are extrapolated to estimate backgrounds in the signal region. The unblinded data contain 9 trident-like events, with an estimated background of 5.66 $\pm$ 5.15 events. This yields a best fit estimate of 3.34 tridents compared to the Standard Model prediction of 4.66. A profiled Feldman-Cousins method is used to determine a 90\% confidence interval of [0,9.1] on the number of signal events, corresponding to an upper limit of 1.95$\times$ the Standard Model prediction. This result represents the lowest energy search for trident events to date, and the first experimental contribution to the process in 27 years.

Bowles, Reed Scott [Indiana U.]↗

NASA NTRSDate not supplied

Computational Assessment of the Opening Mode Facesheet-to-Core Fracture Toughness of a Thin-Gage Facesheet Sandwich Structure

The single-cantilevered beam test (SCB) is currently being considered for standardization for measuring the opening mode fracture toughness of sandwich structures subjected to facesheet-to-core separation. At present, the Area method is considered the benchmark method for determining energy required to propagate the crack. This method is problematic since it requires periodic unloading and cannot be evaluated instantaneously. Therefore, a method is needed to accurately and instantaneously calculate opening mode fracture toughness. In previous work, SCB tests with thin-gauge facesheets were performed to compare the J-integral approach to data reduction methods including the Modified Beam Theory (MBT) and the Area method. Large deviations (over 10%) in the calculated fracture toughness were observed between the J-integral and MBT for large displacements. In this study, a simulated SCB experiment using a virtual crackclosure technique was performed to assess the previously observed discrepancies. The predicted load displacement response, the predicted angle at the load application point, and the predicted crack growth results are in good agreement (within 5%) with the corresponding experimental data. Using the predicted load and angles, the predicted J-integral is in good agreement (within 10%) with the experimentally obtained solution. Using the MBT approach, the previously observed deviations in the fracture toughness were determined to be associated with the empirical extrapolation procedure to estimate the crack-root rotation correction from nonlinear compliance curves. The nonlinear compliance is determined to be associated with large displacement effects observed within the predicted and experimental results.

Sandwich Composite↗

DOE OSTI2017

Towards the Best Parallaxes and a Limit on the Giant Planet Occurrence Rate for Nearby T Brown Dwarfs

The coldest of stars, the hottest of planets; brown dwarf stars, despite considerable data, are an enigma. Unable to fuse atomic nuclei past Deuterium, brown dwarfs are cold in temperature, and are difficult to detect with all but the most sensitive of telescopes. Brown dwarf stars were first posited in the 1960s, but evidence for their existence continued to elude astronomers. In the late 1980s, the first physical evidence for these stars was discovered. Using the Shane telescope at UCO Lick, and the Gemini Observatory, data for nearby T Brown Dwarf star fields was taken over the course of many months. This project took that data and reduced the individual star fields using primarily at field techniques to remove artifacts and pixel to pixel variation. For each individual star in each reduced field, a 2-dimensional projection was taken, producing a light curve. From the light curve, a baseline for the quality of the reduction can be formed by examining the full-width half maximum (FWHM) of the curve. The Shane telescope produced light curves with large FWHM, a mark of poor Adaptive Optic (AO) correction. The data from the Gemini observatory yielded a low FWHM, a mark of good AO correction. These reduced fields will enable the determination of Astrophysical parallax, and with supplementary data, other stellar parameters such as Mass and Luminosity can be determined. The end goal of this project is to determine a limit on the rate of occurrence of Giant Planets around brown dwarf stars.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

The Apollo Alpha Spectrometer.

Located in the Science Instrument Module of Apollo 15 and 16, the Alpha Particle Spectrometer was designed to detect and measure the energy of alpha particles emitted by the radon isotopes and their daughter products. The spectrometer sensor consisted of an array of totally depleted silicon surface barrier detectors. Biased amplifier and linear gate techniques were utilized to reduce resolution degradation, thereby permitting the use of a single 512 channel PHA. Sensor identification and in-flight radioactive calibration were incorporated to enhance data reduction.

Jagoda, N.↗

NASA NTRS1979

Inversion of stratospheric aerosol and gaseous constituents from spacecraft solar extinction data in the 0.38-1.0-micron wavelength region

The paper discusses a possible data retrieval technique for the spaceborne Stratospheric Aerosol and Gas Experiment (SAGE). The SAGE instrument has four radiometric channels located at selected intervals in the 0.38-1.0-micron wavelength range. A data reduction procedure is described for minimization of experimental errors on the basis of a detailed simulation of the measurement sequence. An efficient and accurate inversion method is then used for the retrieval of all the constituent vertical profiles. Also, the effects of horizontally inhomogeneous distributions of the constituent vertical profiles are studied based on available data of their global distributions. A simple horizontally inhomogeneous model of stratospheric aerosol and ozone is employed to estimate the perturbation on the retrieval accuracies.

Chu, W. P.↗

NASA NTRS1983

Trends in shuttle entry heating from the correction of flight test maneuvers

A new technique was developed to systematically expand the aerothermodynamic envelope of the Space Shuttle Protection System (TPS). The technique required transient flight test maneuvers which were performed on the second, fourth, and fifth Shuttle reentries. Kalman filtering and parameter estimation were used for the reduction of embedded thermocouple data to obtain best estimates of aerothermal parameters. Difficulties in reducing the data were overcome or minimized. Thermal parameters were estimated to minimize uncertainties, and heating rate parameters were estimated to correlate with angle of attack, sideslip, deflection angle, and Reynolds number changes. Heating trends from the maneuvers allow for rapid and safe envelope expansion needed for future missions, except for some local areas.

Hodge, J. K.↗

NASA NTRS1992

Development of a hydrogen external burning flight test experiment on the NASA Dryden SR-71A aircraft

A captive-carry flight test experiment of the transonic external burning concept using gaseous hydrogen fuel has ben proposed for the SR-71A flight research test bed aircraft at the NASA Dryden Flight Research Facility, Edwards, California. This program will be the first large-scale, near-field flight test investigation of this base drag reduction technique at Mach numbers up to 3. Low-speed base drag reduction for supersonic and hypersonic flight vehicles is important in reducing vehicle drag and improving nozzle efficiency. Flight data will be correlated with a concurrent wind tunnel ground test of a similar test apparatus to confirm geometry and component performance scalability predictions and to investigate design parametrics under actual flight conditions. This paper describes the problem of transonic base drag for supersonic and hypersonic aircraft, a planned flight research program to address this problem, the test bed aircraft, and the flight experiment apparatus.

Hicks, John W.↗