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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Deep Reinforcement Scheduling of Energy Storage Systems for Real-time Voltage Regulation in Unbalanced LV Networks with High PV Penetration

The ever-growing higher penetration of distributed energy resources (DERs) in low-voltage (LV) distribution systems brings both opportunities and challenges to voltage support and regulation. This paper proposes a deep reinforcement learning (DRL)-based scheduling scheme of energy storage systems (ESSs) to mitigate system voltage deviations in unbalanced LV distribution networks. The ESS-based voltage regulation problem is formulated as a multi-stage quadratic stochastic program, with the objective of minimizing the expected total daily voltage regulation cost while satisfying operational constraints. While existing voltage regulation methods are mostly focused on onetime- step control, this paper explores a day-horizon systemwide voltage regulation problem. In other words, the size of action and state spaces are extremely high-dimensional and need to be delicately handled. Furthermore, in order to overcome the difficulty of modeling uncertainties and develop a realtime solution, a learn-to-schedule feedback control framework is proposed by adapting the problem to a model-free DRL setting. The proposed algorithm is tested on a customized 6-bus system and a modified IEEE 34-bus system. Simulation results validate the effectiveness and near-optimality of voltage regulation by ESS in comparison with a deterministic quadratic program solution.

Wang, Shengyi↗
NASA NTRS2001

Captain, sensors report ...: Correction of Remote Sensing Data

Remote sensing data acquired by airborne and satellite Systems have many impressive virtues for ecology and other sciences. They are synoptic. They are extremely cheap per data point. They cover large areas. They are not subjective. They detect features that are of clear and obvious interest for many uses. But, they also yield totally irreproducible measurements. Sensors that operate in the visible, near infrared and thermal portions of the spectrum are sensitive to a host of phenomena that are usually of little interest to the average user. Fully recognizing the power and sophistication of the algorithms currently available to users of remote sensing, the authors as long time developers (20+ years) of such algorithms, demonstrate that a host of other signals are convolved with the typical data set, and that many of these signals are very commonly not even recognized, and that these signals are often larger than the signal from the putative target. These derive from both geometric and radiometric sources as well as fundamental flaws in sensor engineering. Until such extraneous factors can be controlled or eliminated the utility of the data is greatly restricted. Finally, the authors lay out a design elements for a rational sensor and methods of deconvolving the complexity of the real world data using such a sensor.

Rickman, Doug↗
NASA NTRS2003

Design of a Ferroelectric Programmable Logic Gate Array

A programmable logic gate array has been designed utilizing ferroelectric field effect transistors. The design has only a small number of gates, but this could be scaled up to a more useful size. Using FFET's in a logic array gives several advantages. First, it allows real-time programmability to the array to give high speed reconfiguration. It also allows the array to be configured nearly an unlimited number of times, unlike a FLASH FPGA. Finally, the Ferroelectric Programmable Logic Gate Array (FPLGA) can be implemented using a smaller number of transistors because of the inherent logic characteristics of an FFET. The device was only designed and modeled using Spice models of the circuit, including the FFET. The actual device was not produced. The design consists of a small array of NAND and NOR logic gates. Other gates could easily be produced. They are linked by FFET's that control the logic flow. Timing and logic tables have been produced showing the array can produce a variety of logic combinations at a real time usable speed. This device could be a prototype for a device that could be put into imbedded systems that need the high speed of hardware implementation of logic and the complexity to need to change the logic algorithm. Because of the non-volatile nature of the FFET, it would also be useful in situations that needed to program a logic array once and use it repeatedly after the power has been shut off.

MacLeod, Todd C.↗
DOE OSTI2025

Spectroscopic Online Monitoring: Using a Multi-Track Visible Spectrometer to Facilitate a Mass Balance Study in a Simulated TALSPEAK Process

Nuclear energy is a promising low-carbon energy candidate to meet the increased demand for green energy, where the integration of fuel recycling can have significant benefits for material usage and waste reduction. Utilizing in situ monitoring tools can provide ample opportunities to better control and safeguard nuclear material recycle processes while also offering knowledge and insight into real-time solution properties. The simultaneous measurement of analytical targets in multiple process locations can enable real-time mass balance and material accountancy calculations. This is demonstrated here with a mass balance study of Nd 3+ on countercurrent aqueous/organic metal extraction within a single centrifugal contactor. The Nd 3+ concentration was simultaneously monitored at the inlets and outlets of both aqueous and organic phases using a visible absorbance detector that allowed for the simultaneous measurement of up to six locations. The Nd 3+ concentration was calculated by using chemical data science algorithms, where model training sets were collected on a single track of the detector. The discussion includes addressing the challenges of using a model collected on a single track and applying it as a model across the other tracks on the detector. Each track of the detector corresponds to one measurement location on the contactor. The difference in the integrated moles of Nd 3+ between the inlet and outlet at the end of the experiment was near zero, indicating that the mass balance of this experiment was maintained. Overall, the online spectroscopic monitoring was able to follow changing solution conditions and accurately measure the concentration of Nd 3+ in different locations within the contactor system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Using Coordinated, Multi-Agent Platforms for Dynamic Ocean Worlds Science

Planetary science missions have the opportunity to enhance science return through deployment of autonomous capabilities designed to dynamically respond to new information. Future outer solar system missions to ocean worlds in particular would benefit from this technology - intelligent science payloads (ISP) - because it would allow for a coordinated, near real-time response to ephemeral ‘events’ such as plumes, tectonism, surface implantation, volatile releases, thermal and magnetic anomalies, or radiation, as well as increasing the cadence and coverage of data collection. Prioritization and decision-making frameworks from ISP could be deployed at various scales - from analysis onboard a spacecraft with multiple instruments – to coordinated analyses among separate spacecraft in an e.g., distributed systems mission (DSM) composed of multiple SmallSats. Goddard’s Intelligent Science Payload team is developing an agile autonomous architecture for an icy ocean worlds DSM concept. Our goals are to coordinate data collection and onboard data analysis, and to make autonomous decisions for new data collection and analysis based on science priorities between multiple spacecraft with variable instrumentation and orbits. We use a range of data analysis tools to coordinate the DSM response, spanning from observations of data over a specified threshold to more computationally intensive machine learning algorithms (ML). ML algorithms here currently focus on determining the composition of an ocean world using mass spectrometry, and specifically methods for understanding ‘novelties’ and potential biosignatures. These algorithms could be used to quickly process and analyze onboard data that would be significantly delayed in downlink due to long communication delays for outer solar system missions in order to make dynamic science observations. Our ocean worlds case study ISP architecture is intended as an ‘agile’ and modular framework that could be used as a whole or as particular modules based on mission needs.

Distributed Systems↗
DOE OSTI2021

Development and Evaluation of Velocity Predictive Optimal Energy Management Strategies in Intelligent and Connected Hybrid Electric Vehicles

In this study, a thorough and definitive evaluation of Predictive Optimal Energy Management Strategy (POEMS) applications in connected vehicles using 10 to 20 s predicted velocity is conducted for a Hybrid Electric Vehicle (HEV). The presented methodology includes synchronous datasets gathered in Fort Collins, Colorado using a test vehicle equipped with sensors to measure ego vehicle position and motion and that of surrounding objects as well as receive Infrastructure to Vehicle (I2V) information. These datasets are utilized to compare the effect of different signal categories on prediction fidelity for different prediction horizons within a POEMS framework. Multiple artificial intelligence (AI) and machine learning (ML) algorithms use the collected data to output future vehicle velocity prediction models. The effects of different combinations of signals and different models on prediction fidelity in various prediction windows are explored. All of these combinations are ultimately addressed where the rubber meets the road: fuel economy (FE) enabled from POEMS. FE optimization is performed using Model Predictive Control (MPC) with a Dynamic Programming (DP) optimizer. FE improvements from MPC control at various prediction time horizons are compared to that of full-cycle DP. All FE results are determined using high-fidelity simulations of an Autonomie 2010 Toyota Prius model. The full-cycle DP POEMS provides the theoretical upper limit on fuel economy (FE) improvement achievable with POEMS but is not currently practical for real-world implementation. Perfect prediction MPC (PP-MPC) represents the upper limit of FE improvement practically achievable with POEMS. Real-Prediction MPC (RP-MPC) can provide nearly equivalent FE improvement when used with high-fidelity predictions. Constant-Velocity MPC (CV-MPC) uses a constant speed prediction and serves as a “null” POEMS. Results showed that RP-MPC, enabled by high-fidelity ego future speed prediction, led to significant FE improvement over baseline nearly matching that of PP-MPC.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1990

Space communications scheduler: A rule-based approach to adaptive deadline scheduling

Job scheduling is a deceptively complex subfield of computer science. The highly combinatorial nature of the problem, which is NP-complete in nearly all cases, requires a scheduling program to intelligently transverse an immense search tree to create the best possible schedule in a minimal amount of time. In addition, the program must continually make adjustments to the initial schedule when faced with last-minute user requests, cancellations, unexpected device failures, quests, cancellations, unexpected device failures, etc. A good scheduler must be quick, flexible, and efficient, even at the expense of generating slightly less-than-optimal schedules. The Space Communication Scheduler (SCS) is an intelligent rule-based scheduling system. SCS is an adaptive deadline scheduler which allocates modular communications resources to meet an ordered set of user-specified job requests on board the NASA Space Station. SCS uses pattern matching techniques to detect potential conflicts through algorithmic and heuristic means. As a result, the system generates and maintains high density schedules without relying heavily on backtracking or blind search techniques. SCS is suitable for many common real-world applications.

Straguzzi, Nicholas↗
DOE OSTI2025

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗
NASA NTRS1997

Parameterizing Grid-Averaged Longwave Fluxes for Inhomogeneous Marine Boundary Layer Clouds

This paper examines the relative impacts on grid-averaged longwave flux transmittance (emittance) for Marine Boundary Layer (MBL) cloud fields arising from horizontal variability of optical depth tau and cloud sides, First, using fields of Landsat-inferred tau and a Monte Carlo photon transport algorithm, it is demonstrated that mean all-sky transmittances for 3D variable MBL clouds can be computed accurately by the conventional method of linearly weighting clear and cloudy transmittances by their respective sky fractions. Then, the approximations of decoupling cloud and radiative properties and assuming independent columns are shown to be adequate for computation of mean flux transmittance. Since real clouds have nonzero geometric thicknesses, cloud fractions A'(sub c) presented to isotropic beams usually exceed the more familiar vertically projected cloud fractions A(sub c). It is shown, however, that when A(sub c)less than or equal to 0.9, biases for all-sky transmittance stemming from use of A(sub c) as opposed to A'(sub c) are roughly 2-5 times smaller than, and opposite in sign to, biases due to neglect of horizontal variability of tau. By neglecting variable tau, all-sky transmittances are underestimated often by more than 0.1 for A(sub c) near 0.75 and this translates into relative errors that can exceed 40% (corresponding errors for all-sky emittance are about 20% for most values of A(sub c). Thus, priority should be given to development of General Circulation Model (GCM) parameterizations that account for the effects of horizontal variations in unresolved tau, effects of cloud sides are of secondary importance. On this note, an efficient stochastic model for computing grid-averaged cloudy-sky flux transmittances is furnished that assumes that distributions of tau, for regions comparable in size to GCM grid cells, can be described adequately by gamma distribution functions. While the plane-parallel, homogeneous model underestimates cloud transmittance by about an order of magnitude when 3D variable cloud transmittances are less than or equal to 0.2 and by approx. 20% to 100% otherwise, the stochastic model reduces these biases often by more than 80%.

Barker, Howard W.↗
NASA NTRS2002

Digital Distortion Caused by Traveling- Wave-Tube Amplifiers Simulated

Future NASA missions demand increased data rates in satellite communications for near real-time transmission of large volumes of remote data. Increased data rates necessitate higher order digital modulation schemes and larger system bandwidth, which place stricter requirements on the allowable distortion caused by the high-power amplifier, or the traveling-wave-tube amplifier (TWTA). In particular, intersymbol interference caused by the TWTA becomes a major consideration for accurate data detection at the receiver. Experimentally investigating the effects of the physical TWTA on intersymbol interference would be prohibitively expensive, as it would require manufacturing numerous amplifiers in addition to acquiring the required digital hardware. Thus, an accurate computational model is essential to predict the effects of the TWTA on system-level performance when a communication system is being designed with adequate digital integrity for high data rates. A fully three-dimensional, time-dependent, TWT interaction model has been developed using the electromagnetic particle-in-cell code MAFIA (Solution of Maxwell's equations by the Finite-Integration-Algorithm). It comprehensively takes into account the effects of frequency-dependent AM (amplitude modulation)/AM and AM/PM (phase modulation) conversion, gain and phase ripple due to reflections, drive-induced oscillations, harmonic generation, intermodulation products, and backward waves. This physics-based TWT model can be used to give a direct description of the effects of the nonlinear TWT on the operational signal as a function of the physical device. Users can define arbitrary excitation functions so that higher order modulated digital signals can be used as input and that computations can directly correlate intersymbol interference with TWT parameters. Standard practice involves using communication-system-level software packages, such as SPW, to predict if adequate signal detection will be achieved. These models use a nonlinear, black-box model to represent the TWTA. The models vary in complexity, but most make several assumptions regarding the operation of the high-power amplifier. When the MAFIA TWT interaction model was used, these assumptions were found to be in significant error. In addition, digital signal performance, including intersymbol interference, was compared using direct data input into the MAFIA model and using the system-level analysis tool SPW for several higher order modulation schemes. Results show significant differences in predicted degradation between SPW and MAFIA simulations, demonstrating the significance of the TWTA approximations made in the SPW model on digital signal performance. For example, a comparison of the SPW and MAFIA output constellation diagrams for a 16-ary quadrature amplitude modulation (16-QAM) signal (data shown only for second and fourth quadrants) is shown. The upper-bound degradation was calculated from the corresponding eye diagrams. In comparison to SPW simulations, the MAFIA data resulted in a 3.6-dB larger degradation.

Kory, Carol L.↗
NASA NTRS2005

Strawman Philosophical Guide for Developing International Network of GPM GV Sites

The creation of an international network of ground validation (GV) sites that will support the Global Precipitation Measurement (GPM) Mission's international science programme will require detailed planning of mechanisms for exchanging technical information, GV data products, and scientific results. An important component of the planning will be the philosophical guide under which the network will grow and emerge as a successful element of the GPM Mission. This philosophical guide should be able to serve the mission in developing scientific pathways for ground validation research which will ensure the highest possible quality measurement record of global precipitation products. The philosophical issues, in this regard, partly stem from the financial architecture under which the GV network will be developed, i.e., each participating country will provide its own financial support through committed institutions -- regardless of whether a national or international space agency is involved.At the 1st International GPM Ground Validation Workshop held in Abingdon, UK in November-2003, most of the basic tenants behind the development of the international GV network were identified and discussed. Therefore, with this progress in mind, this presentation is intended to put forth a strawman philosophical guide supporting the development of the international network of GPM GV sites, noting that the initial progress has been reported in the Proceedings of the 1st International GPM GV Workshop -- available online. The central philosophical issues themselves, all flow from the fact that each participating institution can only bring to the table, GV facilities and scientific personnel that are affordable to the sanctioning (funding) national agency (be that a research, research-support, or operational agency). This situation imposes on the network, heterogeneity in the measuring sensors, data collection periods, data collection procedures, data latencies, and data reporting capabilities. Therefore, in order for the network to be effective in supporting the central scientific goals of the GPM mission, there must be a basic agreed upon doctrine under which the network participants function vis-a-vis: (1) an overriding set of general scientific requirements, (2) a minimal set of policies governing the free flow of GV data between the scientific participants, (3) a few basic definitions concerning the prioritization of measurements and their respective value to the mission, (4) a few basic procedures concerning data formats, data reporting procedures, data access, and data archiving, and (5) a simple means to differentiate GV sites according to their level of effort and ability to perform near real-time data acquisition - data reporting tasks. Most important, in case they choose to operate as a near real-time data collection-data distribution site, they would be expected to operate under a fairly narrowly defined protocol needed to ensure smooth GV support operations. This presentation will suggest measures responsive to items (1) - (5) from which to proceed,. In addition, this presentation will seek to stimulate discussion and debate concerning how much heterogeneity is tolerable within the eventual GV site network, given that the any individual GV site can only be considered scientifically useful if it supports the achievement of the central GPM Mission goals. Only ground validation research that has a direct connection to the space mission should be considered justifiable given the overarching scientific goals of the mission. Therefore each site will have to seek some level of accommodation to what the GPM Mission requires in the way of retrieval error characterization, retrieval error detection and reporting, and generation of GV data products that support assessment and improvement of the mission's standard precipitation retrieval algorithms. These are all important scientific issues that will be best resolved in open scientific debate.

Smith, Eric A.↗
NASA NTRS2026

PERSIANN-Unet: A Global Deep Learning Framework for Near-Real-Time Precipitation Estimation Using Infrared Data

Access to high-quality, high-resolution, near-real-time precipitation data is essential for hydrological and meteorological research and disaster mitigation. Traditional tools such as rain gauges and radar networks, though effective, have limitations, including sparse coverage in remote areas and high operational costs. Satellite data, with its global coverage and high spatial and temporal resolutions, mitigates limitations in coverage. Satellite precipitation products like Hydro Estimator (HE), Integrated Multi-satellitE Retrievals for Global Precipitation Measurement (IMERG), and Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks (PERSIANN) utilize both geosynchronous thermal infrared (IR) and passive microwave (PMW) data in their operation. PMW sensors offer detailed atmospheric profiles but suffer from higher latency, whereas IR sensors provide lower latency but only capture cloud-top information. Despite this constraint, IR data remains attractive for low-latency precipitation estimation. Recent advances in deep learning, particularly convolutional neural networks (CNNs), have further improved satellite precipitation retrievals. This study introduces PERSIANN-Unet (PUnet or PERSIANN V3), a quasi-global algorithm covering 60°N–60°S that combines IR data, monthly climatology, and the UNet architecture to produce half-hourly precipitation estimates at 0.04° resolution. The product is evaluated against HE, IMERG, and PDIR-Now for 2022–2023. Results show that PUnet closely matches its training target, IMERG V07 Final, at the global scale, and performance is further evaluated against Stage IV as a reference over CONUS. Training PUnet on IMERG (2016–2021) leverages a high-quality, integrated PMW IR-gauge precipitation product while developing an IR-based framework not reliant on PMW availability. By operating on a single global image, PUnet avoids tile partitioning and blending steps, reducing edge discontinuities, and produces more spatially consistent precipitation fields across hemispheres.

Phu Nguyen↗
NASA NTRS1995

Effects of Meteoroid Erosion in Planetary Rings

This grant supported continuing studies of the effects of ballistic transport on the evolution of Saturn's rings. Ballistic transport, as used in this context, refers to the net transport of mass and angular momentum caused by the exchange of meteoroid impact ejecta between neighboring ring regions (Ip 1983, 1984, Morfill et al. 1983, Lissauer 1984, Durisen 1984a,b). The characteristic time scale associated with this process is the gross erosion time t(sub g) the time it would take a ring region to be completed eroded if all impact ejecta were lost. This time scale is estimated to be about 10(exp 5) to 10(exp 6) years for a ring region with normal optical depth tau approximately 1. Earlier work by myself and collaborators developed the physical theory and simulation techniques to model this process (Durisen et al. 1989, Cuzzi and Durisen 1990). Detailed simulations, supported in part by this grant, have demonstrated that ballistic transport can produce observed structures in Saturn's rings, especially at and near the inner edges of the A and B Rings (Durisen et al. 1992, 1996). The structures of interest in the real rings are illustrated in Figures 1 and 2. Most of these structures were previously unexplained. The computational results plus analytic treatments place useful constraints on fundamental ring properties, including the indication of a relatively young ring age less than or equal 10(exp 8) years (see reviews by Nicholson and Dones 1991, Esposito 1993, Cuzzi 1995, and Porco 1995). This grant also supported development of the faster computational algorithms necessary to permit longer evolutions. Resulting simplications in the ballistic transport equations permitted an analytic linear stability analysis (Durisen 1995), which has provided considerable insight into ballistic transport processes and applications to Saturn's rings. All these accomplishments are described in more detail below.

Durisen, Richard H.↗
NASA NTRS1993

Kalman filter estimation of attitude and gyro bias with the QUEST observation model

The loss function for the Wahba attitude estimation problem employs unit vector observations with scalar weights. It is usually associated with the QUEST observation model, where the actual sensor noise is assumed the same for all components of the observed vector, regardless of the position in the field of view. The QUEST model has the great advantage of being sensor-independent except for the scalar parameter that characterizes the sensor errors. Although efficient algorithms for solving the Wahba problem exist, extending these algorithms to estimate gyro biases or sensor alignments has had mixed success. However, it is straightforward to estimate bias and alignment parameters with a Kalman filter. This paper investigates the use of an extended Kalman filter for the attitude and gyro bias that incorporates the QUEST observation model, to be referred to as the Unit Vector Filter (UVF). The UVF results are compared with those from a more conventional filter, the Real-Time Sequential Filter (RTSF), for which the residual is the two-dimensional projection of the unit vector onto the plane perpendicular to the sensor boresight. The RTSF is similar in design to that used by Multimission Modular Spacecraft for onboard attitude determination. An apparent obstacle to the use of unit vectors as measurements is their singular noise covariance matrix. Shuster has shown that this problem should not affect filter performance. The UVF and RTSF are tested using actual flight data from the Extreme Ultraviolet Explorer (EUVE). It is found that these filters generate nearly identical attitude and gyro bias estimates, thus validating the use of unit vectors and the QUEST noise model.

Sedlak, J.↗
DOE OSTI2025

Data Assimilation for Robust UQ Within Agent-Based Simulation on HPC Systems

Agent-based simulation provides a powerful tool for in silico system modeling. However, these simulations do not provide built-in methods for uncertainty quantification (UQ). Within these types of models a typical approach to UQ is to run multiple realizations of the model then compute aggregate statistics. This approach is limited due to the compute time required for a solution. When faced with an emerging biothreat, public health decisions need to be made quickly and solutions for integrating near real-time data with analytic tools are needed. We propose an integrated Bayesian UQ framework for agent-based models based on sequential Monte Carlo sampling. Given streaming or static data about the evolution of an emerging pathogen this Bayesian framework provides a distribution over the parameters governing the spread of a disease through a population. These estimates of the spread of a disease may be provided to public health agencies seeking to abate the spread. By coupling agent-based simulations with Bayesian modeling in a data assimilation, our proposed framework provides a powerful tool for modeling dynamical systems in silico. We propose a method which reduces model error and provides a range of realistic possible outcomes. Moreover, our method addresses two primary limitations of ABMs: the lack of UQ and an inability to assimilate data. Our proposed framework combines the flexibility of an agent-based model with UQ provided by the Bayesian paradigm in a workflow which scales well to HPC systems. We provide algorithmic details and results on a simulated outbreak with both static and streaming data.

Spannaus, Adam [ORNL] (ORCID:0000000225213657)↗
DOE OSTI2020

Ultra High Performance Liquid Chromatography with Quadrupole Time-of-Flight Mass Spectrometry and Fisher Ratio Analysis for Discovery-Based Analysis

The ability to discover minute differences between samples or sample classes for ultrahigh performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF) can be a challenging endeavor especially when these differences are not known a priori. Indeed a typical UHPLC-QTOF analysis time of ~15 minutes can generate over 4 gigabytes of information for a single sample. Implementation of chemometrics such as Fisher ratio (F-ratio) analysis will allow the analyst to quickly and precise probe the chemical differences between different samples or sample classes. F-ratio analysis can be used to find sample or sample class distinguishing compounds reducing the 5 gigabytes of information into a simple, yet informative hit list. Moreover through combinatorial rearrangement, it is possible to determine a F-ratio threshold to separate the real and non-real hits. The F-ratio software presented herein is a semi-automated algorithm that processes the raw, exported .csv files from the SCIEX 500R QTOF in as little as 30 seconds. While further research is needed to modify and perfect the software to deal with high resolution mass spectra precise to 0.0001 Daltons, the current software, precise to 0.1 Da, is able to find significant chemical differences despite some of them being at extremely low concentrations nearing the limit of detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Tele-Operated Lunar Rover Navigation Using Lidar

Near real-time tele-operated driving on the lunar surface remains constrained by bandwidth and signal latency despite the Moon s relative proximity. As part of our work within NASA s Human-Robotic Systems Project (HRS), we have developed a stand-alone modular LIDAR based safeguarded tele-operation system of hardware, middleware, navigation software and user interface. The system has been installed and tested on two distinct NASA rovers-JSC s Centaur2 lunar rover prototype and ARC s KRex research rover- and tested over several kilometers of tele-operated driving at average sustained speeds of 0.15 - 0.25 m/s around rocks, slopes and simulated lunar craters using a deliberately constrained telemetry link. The navigation system builds onboard terrain and hazard maps, returning highest priority sections to the off-board operator as permitted by bandwidth availability. It also analyzes hazard maps onboard and can stop the vehicle prior to contacting hazards. It is robust to severe pose errors and uses a novel scan alignment algorithm to compensate for attitude and elevation errors.

Pedersen, Liam↗
DOE OSTI2023

Hierarchical Modeling to Enhance Spectrophotometry Measurements—Overcoming Dynamic Range Limitations for Remote Monitoring of Neptunium

A robust hierarchical model has been demonstrated for monitoring a wide range of neptunium concentrations (0.75–890 mM) and varying temperatures (10–80 °C) using chemometrics and feature selection. The visible–near infrared electronic absorption spectrum (400–1700 nm) of monocharged neptunyl dioxocation (Np(V) = NpO2+) includes many bands, which have molar absorption coefficients that differ by nearly 2 orders of magnitude. The shape, position, and intensity of these bands differ with chemical interactions and changing temperature. These challenges make traditional quantification by univariate methods unfeasible. Measuring Np(V) concentration over several orders of magnitude would typically necessitate cells with varying path length, optical switches, and/or multiple spectrophotometers. Alternatively, the differences in the molar extinction coefficients for multiple absorption bands can be used to quantify Np(V) concentration over 3 orders of magnitude with a single optical path length (1 mm) and a hierarchical multivariate model. In this work, principal component analysis was used to distinguish the concentration regime of the sample, directing it to the relevant partial least squares regression submodels. Each submodel was optimized with unique feature selection filters that were selected by a genetic algorithm to enhance predictions. Through this approach, the percent root mean square error of prediction values were ≤1.05% for Np(V) concentrations and ≤4% for temperatures. This approach may be applied to other nuclear fuel cycle and environmental applications requiring real-time spectroscopic measurements over a wide range of conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗