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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21

Impacts of Bulk Microphysics Scheme Structural Choices on Simulations of Rain Initiation Through Drop Coalescence

This study examines how different structural choices in bulk microphysics schemes impact the simulation of warm rain initiation. A single liquid category (SLC) approach prognosing up to four moments of a single drop size distribution (DSD) is compared to the traditional two-category, two-moment approach with separate DSDs for cloud and rain (four total prognostic variables). Different methods for calculating tendencies of the prognostic variables from drop collision-coalescence are also tested: a discretized numerical-integration approach, machine learning via neural networks, lookup tables, and traditional power law fits. Relative to simulations using a bin microphysics model, SLC gives smaller error overall than the two-category approach when numerical integration is used to calculate the collision-coalescence tendencies for both. Replacing the numerical integration with a pre-computed lookup table reduces computational cost with little loss of accuracy. However, using fitted power laws with SLC to represent the collision-coalescence tendencies substantially reduces accuracy and leads to an order of magnitude increase in error. It is also demonstrated that with SLC, reasonably accurate solutions are obtained using only three prognostic moments, while a two-moment SLC scheme leads to substantial error. Overall, both the choice of prognostic moments (e.g., SLC vs. two-category) and method to calculate the collision-coalescence tendencies are important to consider for minimizing errors in bulk schemes. SLC with a sufficiently detailed calculation of the collision-coalescence tendencies provides accurate solutions for a reasonable computational cost, providing a viable alternative to the traditional two-category, two-moment approach for bulk microphysics.

320 (cloud physics and chemistry)↗

Hybrid Modeling for Complex Systems Health Management

The research work presents application of hybrid physics-informed machine learning to a representative electric powertrain for unmanned aerial vehicles. The model is composed of physics-derived and empirical equations, integrated with connected networks that are strategically placed within the model to substitute equations that are subject to large uncertainty. Polynomial fit driven by heuristics or empirical observations can be substituted by more flexible networks that can minimize the error between model predictions and observations without being restricted to a predefined functional form. This modeling strategy allows training of networks deep inside the model and unknown parameters in a single learning stage. The powertrain model consists of Li-ion batteries, electronic speed controller with pulse-width modulation, and brush-less DC motor with connected propeller. Results obtained from combination of laboratory and simulation tests are discussed in this work.

PINNS↗

Using Machine Learning to Estimate Surface-Level SO2 Concentrations from Satellite-Based Measurements

Sulfur dioxide (SO2) is a criteria air pollutant due to its contributions to aerosol formation, rainfall acidification, and harm to human health. The placement of air quality monitoring sites is typically biased towards urban areas, leaving large areas with very limited monitoring data. The Ozone Monitoring Instrument (OMI) has been used to provide estimates of SO2 vertical column densities (VCDs) globally at spatial resolution of 10s of kms once per day. OMI SO2 VCDs have been previously used to estimate surface SO2 concentrations using chemical transport model (CTM) simulations. The CTMs use estimated emissions and assimilated meteorological data, and simulate the chemical and physical processes that determine the vertical profile of SO2, which can be used to derive a ratio between the surface concentrations and VCDs. These models are complex, computationally expensive, and have large uncertainties in the simulated surface-to-VCD ratio due to biases in emissions and relatively coarse resolution. Machine learning techniques are comparatively easier to use, much less computationally expensive to use after training, and can produce more accurate estimations of surface concentrations than the CTM-based method. The interpretation of machine learning models often poses challenges, and in some cases, non-physical variables unrelated to SO2 are used as predictors. In this work, we create an artificial neural network (ANN) to relate OMI retrievals and archived GEOS-FP boundary layer heights to surface SO2 concentrations from the ChinaHighAirPollutants ChinaHighSO2 dataset (CHAP; Wei et al., 2023) on a seasonal average timescale from 2013-2018. Our model only utilizes five variables that are directly relevant to the satellite retrieval, lifetime, and spatial distribution of SO2. The model was trained on 16 seasons (four of each) with independent validation (one of each season) and testing datasets (one of each season) to avoid overfitting. Our ANN generates surface SO2 concentrations that are sensitive (slope = 0.51) and consistent (r = 0.74) with the CHAP data, but are underpredicted by an average of 1.2 ppbv with a mean absolute error of 2.2 ppbv. These results are better than recent studies utilizing the CTM method. To our knowledge, this is the best performing machine learning model that only uses physical variables to predict surface SO2. Our work demonstrates that a carefully constructed, simple ML model can accurately estimate surface-based SO2 concentrations from satellite VCD measurements, and this technique has future promise to expend to newer, higher resolution satellites and other air pollutants.

SO2, air quality, OMI, machine learning↗

Overview of RFID Applications Utilizing Neural Networks

As Radio Frequency Identification (RFID) methods continue to evolve to higher levels of complexity, one form of machine learning is making its appearance. The use of Neural Networks (NN) in the RFID field is steadily increasing, and in the fields of localization and activity recognition, promising results are being shown from a variety of research. RFID applications fall primarily under two types of problems including regression and classification. We analyze RIFD localization techniques which fall under regression, and activity recognition which falls under classification. Many works don’t classify themselves as activity recognition methods, but because they fall under the classification category, we still consider them as activity recognition techniques. This research overviews the Neural Network models in the localization field based on whether they can perform independently of the environment in which they were tested. For activity recognition and accessory fields, the major methods involve tag-based and tag-free approaches. In conclusion, after the models are surveyed, a comparison study is given to examine what may be the cause for increased accuracy between different Neural Network models.

42 ENGINEERING↗

A Semi-supervised Hybrid Machine Learning Framework for the Qualification of Resistance Spot Welds

• Industries requiring high structural integrity, including automotive, aerospace, and construction, place considerable significance on weld quality classification. • The inspection normally involves human expertise through predefined quality metrics that are subjective, error-prone, and time-intensive • The challenge to classification model development is the scarcity of labeled data and imbalanced distributions in the data that are labeled. • This work develops a new hybrid methodology that achieves clustering using KMeans++ together with supervised classification to overcome these challenges. • The ensemble-based classifiers were identified as optimal, with accuracy enhancements of up to 8% using the pseudo-labeled dataset. • The work provides practical insight into feature engineering and machine learning integration in industrial quality assurance applications.

Rogers, Jeremy K. [Savannah River National Laborat↗

Hybrid Modeling of Unmanned Aerial Vehicle Electric Powertrain for Fault Detection and Diagnostics

This paper shows the application of hybrid physics-informed machine learning to a representative electric powertrain for unmanned aerial vehicles. The model is composed of physics-derived principles and empirical equations, as well as fully connected networks that are strategically placed within the model to substitute equations that are subject to large uncertainty. Polynomial fit driven by heuristics or empirical observations can be substituted by more flexible networks that can minimize the error between model predictions and observations without being restricted to a predefined functional form. This modeling strategy allows training of networks deep inside the model and unknown parameters in a single learning stage. It has already been applied to Li-ion batteries in the past, and in this work, we extend the applications to other components of an electric powertrain, namely electronic speed controller with pulse-width modulation, and brushless DC motor with connected propeller. Training and testing of the model is carried out using experimental data from Li-ion battery discharge and powertrain testing in a laboratory environment.

Physics-Informed Machine Learning↗

A Self-Tuning Kalman Filter for Autonomous Spacecraft Navigation

Most navigation systems currently operated by NASA are ground-based, and require extensive support to produce accurate results. Recently developed systems that use Kalman Filter and Global Positioning System (GPS) data for orbit determination greatly reduce dependency on ground support, and have potential to provide significant economies for NASA spacecraft navigation. Current techniques of Kalman filtering, however, still rely on manual tuning from analysts, and cannot help in optimizing autonomy without compromising accuracy and performance. This paper presents an approach to produce a high accuracy autonomous navigation system fully integrated with the flight system. The resulting system performs real-time state estimation by using an Extended Kalman Filter (EKF) implemented with high-fidelity state dynamics model, as does the GPS Enhanced Orbit Determination Experiment (GEODE) system developed by the NASA Goddard Space Flight Center. Augmented to the EKF is a sophisticated neural-fuzzy system, which combines the explicit knowledge representation of fuzzy logic with the learning power of neural networks. The fuzzy-neural system performs most of the self-tuning capability and helps the navigation system recover from estimation errors. The core requirement is a method of state estimation that handles uncertainties robustly, capable of identifying estimation problems, flexible enough to make decisions and adjustments to recover from these problems, and compact enough to run on flight hardware. The resulting system can be extended to support geosynchronous spacecraft and high-eccentricity orbits. Mathematical methodology, systems and operations concepts, and implementation of a system prototype are presented in this paper. Results from the use of the prototype to evaluate optimal control algorithms implemented are discussed. Test data and major control issues (e.g., how to define specific roles for fuzzy logic to support the self-learning capability) are also discussed. In addition, architecture of a complete end-to-end candidate flight system that provides navigation with highly autonomous control using data from GPS is presented.

Truong, Son H.↗

Mars Exploration Rover potentiometer problems, failures and lessons learned

During qualification testing of three types of nonwire-wound precision potentiometers for the Mars Exploration Rover, a variety of problems and failures were encountered. This paper will describe some of the more interesting problems, detail their investigations and present their final solutions. The failures were found to be caused by design errors, manufacturing errors, improper handling, test errors, and carelessness. A trend of decreasing total resistance was noted, and a resistance histogram was used to identify an outlier. A gang fixture is described for simultaneously testing multiple pots, and real time X-ray imaging was used extensively to assist in the failure analyses. Lessons learned are provided.

potentiometer↗

Modeling injection-induced fault slip using long short-term memory networks

Stress changes due to changes in fluid pressure and temperature in a faulted formation may lead to the opening/shearing of the fault. This can be due to subsurface (geo)engineering activities such as fluid injections and geologic disposal of nuclear waste. Such activities are expected to rise in the future making it necessary to assess their short- and long-term safety. Here, a new machine learning (ML) approach to model pore pressure and fault displacements in response to high-pressure fluid injection cycles is developed. The focus is on fault behavior near the injection borehole. To capture the temporal dependencies in the data, long short-term memory (LSTM) networks are utilized. To prevent error accumulation within the forecast window, four critical measures to train a robust LSTM model for predicting fault response are highlighted: (i) setting an appropriate value of LSTM lag, (ii) calibrating the LSTM cell dimension, (iii) learning rate reduction during weight optimization, and (iv) not adopting an independent injection cycle as a validation set. Several numerical experiments were conducted, which demonstrated that the ML model can capture peaks in pressure and associated fault displacement that accompany an increase in fluid injection. The model also captured the decay in pressure and displacement during the injection shut-in period. Further, the ability of an ML model to highlight key changes in fault hydromechanical activation processes was investigated, which shows that ML can be used to monitor risk of fault activation and leakage during high pressure fluid injections.

58 GEOSCIENCES↗

Evidence Report: Risk of Performance Errors Due to Training Deficiencies

Substantial evidence supports the claim that inadequate training leads to performance errors. Barshi and Loukopoulos (2012) demonstrate that even a task as carefully developed and refined over many years as operating an aircraft can be significantly improved by a systematic analysis, followed by improved procedures and improved training (see also Loukopoulos, Dismukes, & Barshi, 2009a). Unfortunately, such a systematic analysis of training needs rarely occurs during the preliminary design phase, when modifications are most feasible. Training is often seen as a way to compensate for deficiencies in task and system design, which in turn increases the training load. As a result, task performance often suffers, and with it, the operators suffer and so does the mission. On the other hand, effective training can indeed compensate for such design deficiencies, and can even go beyond to compensate for failures of our imagination to anticipate all that might be needed when we send our crew members to go where no one else has gone before. Much of the research literature on training is motivated by current training practices aimed at current training needs. Although there is some experience with operations in extreme environments on Earth, there is no experience with long-duration space missions where crews must practice semi-autonomous operations, where ground support must accommodate significant communication delays, and where so little is known about the environment. Thus, we must develop robust methodologies and tools to prepare our crews for the unknown. The research necessary to support such an endeavor does not currently exist, but existing research does reveal general challenges that are relevant to long-duration, high-autonomy missions. The evidence presented here describes issues related to the risk of performance errors due to training deficiencies. Contributing factors regarding training deficiencies may pertain to organizational process and training programs for spaceflight, such as when training programs are inadequate or unavailable. Furthermore, failure to match between tasks on the one hand, and learning and memory abilities on the other hand is a contributing factor, especially when individuals' relative efficiency with which new information is acquired, and adjustments made in behavior or thinking, are inconsistent with mission demands. Thus, if training deficiencies are present, the likelihood of errors or of the inability to successfully complete a task increases. What's more, the overall risk to the crew, the vehicle, and the mission increases.

Barshi, Immanuel↗

Active operator learning with predictive uncertainty quantification for partial differential equations

With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying reliable surrogate models in scientific applications. Existing uncertainty quantification (UQ) frameworks employ ensembles or Bayesian methods, which can incur substantial computational costs during both training and inference. Here, we propose a lightweight predictive UQ method tailored for Deep operator networks (DeepONets) that also generalizes to other operator networks. Numerical experiments on linear and nonlinear PDEs demonstrate that the framework’s uncertainty estimates are unbiased and provide accurate out-of-distribution uncertainty predictions with a sufficiently large training dataset. Our framework provides fast inference and uncertainty estimates that can efficiently drive outer-loop analyses that would be prohibitively expensive with conventional solvers. We demonstrate how predictive uncertainties can be used in the context of Bayesian optimization and active learning problems to yield improvements in accuracy and data-efficiency for outer-loop optimization procedures. In the active learning setup, we extend the framework to Fourier Neural Operators (FNO) and describe a generalized method for other operator networks. To enable real-time deployment, we introduce an inference strategy based on precomputed trunk outputs and a sparse placement matrix, reducing evaluation time by more than a factor of five. Our method provides a practical route to uncertainty-aware operator learning in time-sensitive settings.

97 MATHEMATICS AND COMPUTING↗

Accelerating polyketide synthase engineering for high TRY production of biofuels and bioproducts (Final Technical Report)

Polyketide synthase (PKS) enzymes have a modular, deterministic logic that holds the potential to act as a flexible chemical factory for the biological production of a huge diversity of valuable small molecule compounds. However, engineering a custom PKS to produce a specific desired product currently requires years of trial and error, for reasons that remain poorly understood. In this project, we have developed a rapid, high throughput, Design-Build-Test-Learn (DBTL) cycle for polyketide synthases (PKSs) and demonstrate its utility for production of materials precursors. The objectives are 1) to develop a rapid, high-throughput (HT) DBTL cycle for PKSs that will enable production of a large number of unnatural, organic molecules on demand at high titer, rate, and yield (TRY); 2) to demonstrate the utility of the PKS DBTL cycle to produce three molecules: one commodity chemical (caprolactam or valerolactam) and two novel materials precursors (caprolactam or valerolactam derivatives); and 3) to demonstrate the utility of the PKS DBTL cycle to increase the TRY of one molecule (caprolactam or valerolactam). In this project, we have successfully demonstrated our high throughput PKS DBTL pipeline, and have biologically produced valerolactam and several other novel nylon monomers.

60 APPLIED LIFE SCIENCES↗

LLM Generation of Online Courses from a Curated Set of Documents in the Nuclear Safeguards Domain

A multidisciplinary team at Argonne National Laboratory explores the application of advanced technologies to enhance knowledge transfer and retention within the nuclear safeguards domain. Specifically, it examines the feasibility of leveraging secure large language models (LLMs) to streamline the creation of e-learning modules for the U.S. National Nuclear Security Administration (NNSA) Office of International Nuclear Safeguards (NA-241). The initiative addresses the critical need for preserving institutional memory and accelerating skill development amidst the imminent retirement of senior professionals in the field in addition to supporting good knowledge management practices. The project integrates instructional design theory with cutting-edge AI technologies to transform curated document sets from the Safeguards Knowledge Repository (SKR) into modular online courses. By automating the generation of learning objectives and instructional content, the effort aims to reduce manual effort while maintaining high-quality educational outcomes. A limited measure of human supervision, however, ensures accuracy, relevance, and alignment with NNSA’s strategic priorities. Key findings highlight the potential of AI-assisted course generation to support safeguards professionals by creating structured, interactive learning experiences. The report underscores the importance of SME validation to address limitations in AI-generated content, such as terminology errors and gaps in coverage. Recommendations include adopting a structured workflow combining LLM acceleration with expert oversight to ensure accuracy, usability, and alignment with learner needs. This work demonstrates Argonne’s commitment to advancing national security and scientific excellence through innovative knowledge management solutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Developing Formal Correctness Properties from Natural Language Requirements

This viewgraph presentation reviews the rationale of the program to transform natural language specifications into formal notation.Specifically, automate generation of Linear Temporal Logic (LTL)correctness properties from natural language temporal specifications. There are several reasons for this approach (1) Model-based techniques becoming more widely accepted, (2) Analytical verification techniques (e.g., model checking, theorem proving) significantly more effective at detecting types of specification design errors (e.g., race conditions, deadlock) than manual inspection, (3) Many requirements still written in natural language, which results in a high learning curve for specification languages, associated tools and increased schedule and budget pressure on projects reduce training opportunities for engineers, and (4) Formulation of correctness properties for system models can be a difficult problem. This has relevance to NASA in that it would simplify development of formal correctness properties, lead to more widespread use of model-based specification, design techniques, assist in earlier identification of defects and reduce residual defect content for space mission software systems. The presentation also discusses: potential applications, accomplishments and/or technological transfer potential and the next steps.

requirements engineering↗

Insights Into the Hydrology of the Congo Peatlands Through Land Surface Modeling and Data Assimilation

The 16.8 million ha of peatlands in the Cuvette Centrale wetland complex in the Congo Basin is one of the largest peatland regions on Earth but still highly understudied. Understanding the hydrological functioning of these peatlands and the effects of external disturbances thereon remains a major challenge. Recent research suggested fundamental hydrological differences between the Congo peatlands and the well-studied Southeast Asian peatlands. The Congo peatlands have a doming gradient that is up to ten times smaller, and they are influenced by river hydrology to some extent. In this study, we explore the Congo peatland hydrology through land surface modeling and data assimilation. We build upon our recently developed tropical PEATCLSM module (Apers et al., 2022) that was parameterized based on data from Southeast Asian peatlands due to the lack of field data from other tropical peatland regions. In a first step, we derive Congo-specific peat hydraulic and discharge function parameters from a scalar parametrization of water level dynamics in the Congo peatlands, using observed water level data at two locations. These Congo-specific parameters differ considerably from the original literature-based parameters from Southeast Asian peatlands. In a second step, we apply our original and Congo-specific parameters in an assimilation scheme for L-band brightness temperature (Tb) data from the Soil Moisture and Ocean Salinity (SMOS) mission. The data assimilation results are used in two ways. First, the effect of these parameters on the simulated peatland hydrology and the observation-minus-forecast Tb residuals is evaluated. It is hypothesized that the new parameters reduce the previously reported modeling errors over the Congo peatlands and reduce the residuals in Tb as well. Second, we analyze the data assimilation diagnostics to learn about other model improvement possibilities. In preliminary results, we found long periods of temporally autocorrelated total water storage increments (difference of pre- and post-update) that coincided with anomalies in river stages measured upstream of the peatlands. Since PEATLCSM neglects possible river influence, this concurrence suggests that the typically used grid-based approach of land surface models should be combined with a river routing scheme over the Congo peatlands.

Sebastian Apers↗

Interface Consistency: Phase I Results & Phase II Status

Future exploration missions will rely on designing and developing vehicles and complex systems from within NASA and through multiple external commercial partners to meet mission goals. Despite existing consistency-related agency requirements, NASA’s approach to commercial spaceflight development encourages providers’ flexibility and innovation. This strategy is resulting in significant design diversity across Artemis vehicles. Design best practices and guidelines champion interface consistency to promote mental model development and knowledge transfer. However, research investigating the benefits of consistency is mixed, and little is known about its role in complex systems. Determining the level of risk that system diversity presents is difficult, as there is no established method for quantifying the degree of consistency within and across interfaces, nor is there information about the differential impacts of different types of inconsistency. Phase I of this project (Characterization and Measurement) served as a starting point to better understand the construct of consistency, its application, and the range of studies and methods for measuring it. The project team created a taxonomy of consistency to apply to interfaces as a framework to guide the development of tools to assess intersystem consistency. Checklist and cognitive walkthrough methods were developed for use by human factors (HF) and human-computer interaction (HCI) experts. The Intersystem Consistency Scale (ICS) was developed for interface evaluations with crew. A pilot study evaluated the methods’ ability to distinguish differences between Artemis-like prototype pairs exhibiting either high or low design consistency. In addition, click errors and time on task were collected within the ICS (crew-like) group. Results from our exploratory analysis and lessons learned from the pilot study will be discussed. The project team will also present the status of Phase II (Risk Assessment, Standards and Guidelines). This includes incorporating feedback to redesign the assessment tools, and inputs from displays and training Subject Matter Experts to update tasks and prototype designs. The team will present the risk assessment study design to identify the types and levels of inconsistency that pose the greatest risk to performance. Plans to apply these results toward agency standards and guideline recommendations will also be discussed.

Human-Computer Interaction↗

Mars Exploration Rover Potentiometer Problems, Failures and Lessons Learned

During qualification testing of three types of non-wire-wound precision potentiometers for the Mars Exploration Rover, a variety of problems and failures were encountered. This paper will describe some of the more interesting problems, detail their investigations and present their final solutions. The failures were found to be caused by design errors, manufacturing errors, improper handling, test errors, and carelessness. A trend of decreasing total resistance was noted, and a resistance histogram was used to identify an outlier. A gang fixture is described for simultaneously testing multiple pots, and real time X-ray imaging was used extensively to assist in the failure analyses. Lessons learned are provided.

Balzer, Mark↗

Data-Efficient Strategies for Probabilistic Voltage Envelopes under Network Contingencies

This work presents an efficient data-driven method to construct probabilistic voltage envelopes (PVE) using power flow learning in grids with network contingencies. First, a network-aware Gaussian process (GP) termed Vertex-Degree Kernel (VDK-GP), developed in prior work, is used to estimate voltage–power functions for a few network configurations. The paper introduces a novel multi-task vertex degree kernel (MT-VDK) that amalgamates the learned VDK-GPs to determine power flows for unseen networks, with a significant reduction in the computational complexity and hyperparameter requirements compared to alternate approaches. Simulations on the IEEE 30-Bus network demonstrate the retention and transfer of power flow knowledge in both N-1 and N-2 contingency scenarios. The MT-VDK-GP approach achieves over 50 % reduction in mean prediction error for novel N-1 contingency network configurations in low training data regimes (50–250 samples) over VDK-GP. Additionally, MT-VDK-GP outperforms a hyper-parameter based transfer learning approach in over 75 % of N-2 contingency network structures, even without historical N-2 outage data. Furthermore, the proposed method demonstrates the ability to achieve PVEs using sixteen times fewer power flow solutions compared to Monte-Carlo sampling-based methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗