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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 343 records · Page 19

Modeling Weather Impact on Ground Delay Programs

Scheduled arriving aircraft demand may exceed airport arrival capacity when there is abnormal weather at an airport. In such situations, Federal Aviation Administration (FAA) institutes ground-delay programs (GDP) to delay flights before they depart from their originating airports. Efficient GDP planning depends on the accuracy of prediction of airport capacity and demand in the presence of uncertainties in weather forecast. This paper presents a study of the impact of dynamic airport surface weather on GDPs. Using the National Traffic Management Log, effect of weather conditions on the characteristics of GDP events at selected busy airports is investigated. Two machine learning methods are used to generate models that map the airport operational conditions and weather information to issued GDP parameters and results of validation tests are described.

Wang, Yao↗

Maturing Pump Technology for EVA Applications in a Collaborative Environment

The transition from low earth orbit Extravehicular Activity (EVA) for construction and maintenance activities to planetary surface EVA on asteroids, moons, and, ultimately, Mars demands a new spacesuit system. NASA's development of that system has resulted in dramatically different pumping requirements from those in the current spacesuit system. Hamilton Sundstrand, Cascon, and NASA are collaborating to develop and mature a pump that will reliably meet those new requirements in space environments and within the design constraints imposed by spacesuit system integration. That collaboration, which began in the NASA purchase of a pump prototype for test evaluation, is now entering a new phase of development. A second generation pump reflecting the lessons learned in NASA's testing of the original prototype will be developed under Hamilton Sundstrand internal research funding and ultimately tested in an integrated Advanced Portable Life Support System (APLSS) in NASA laboratories at the Johnson Space Center. This partnership is providing benefit to both industry and NASA by supplying a custom component for EVA integrated testing at no cost to the government while providing test data for industry that would otherwise be difficult or impossible to duplicate in industry laboratories. This paper discusses the evolving collaborative process, component requirements and design development based on early NASA test experience, component stand alone test results, and near term plans for integrated testing at JSCs.

Hodgson, Edward↗

Analysis and Prediction of Weather Impacted Ground Stop Operations

When the air traffic demand is expected to exceed the available airport's capacity for a short period of time, Ground Stop (GS) operations are implemented by Federal Aviation Administration (FAA) Traffic Flow Management (TFM). The GS requires departing aircraft meeting specific criteria to remain on the ground to achieve reduced demands at the constrained destination airport until the end of the GS. This paper provides a high-level overview of the statistical distributions as well as causal factors for the GSs at the major airports in the United States. The GS's character, the weather impact on GSs, GS variations with delays, and the interaction between GSs and Ground Delay Programs (GDPs) at Newark Liberty International Airport (EWR) are investigated. The machine learning methods are used to generate classification models that map the historical airport weather forecast, schedule traffic, and other airport conditions to implemented GS/GDP operations and the models are evaluated using the cross-validations. This modeling approach produced promising results as it yielded an 85% overall classification accuracy to distinguish the implemented GS days from the normal days without GS and GDP operations and a 71% accuracy to differentiate the GS and GDP implemented days from the GDP only days.

Analysis↗

Artificial Intelligence - The Future of Space Communications

Presentation focus on the Cognitive Communications Project Overview. The project aims to develop cognitive communications technologies to increase mission science return and improve resource efficiencies. Another key aspect of the project is understanding the fundamental aspects of cognitive technology and developing artificial intelligence to advance the future of space communications. This involves the use of machine learning algorithms in the next generation architecture for space communications in the effort to increase efficiency, autonomy and increased performance of the space communication and navigations next generation architecture.

Briones, Janette C.↗

NASA's Satellite Laser Ranging Systems for the 21st Century

For over 40 years, NASA’s global network of satellite laser ranging (SLR) stations has provided a significant percentage of the global orbital data used to define the International Terrestrial Reference Frame (ITRF). The current NASA legacy network is reaching its end-of-life and a new generation of systems must be ready to take its place. Scientific demands of sub-millimeter precision ranging and the ever-increasing number of tracking targets give aggressive performance requirements to this new generation of systems. Using lessons learned from the legacy systems and the successful development of a prototype station, a new network of SLR stations, called the Space Geodesy Satellite Laser Ranging (SGSLR) systems, is being developed. These will be the state-of-the-art SLR component of NASA’s Space Geodesy Project (SGP). Each of SGSLR’s nine subsystems has been designed to produce a robust, kilohertz laser ranging system with 24/7 operational capability and with minimal human intervention. SGSLR’s data must support the aggressive goals of the Global Geodetic Observing System (GGOS), which are 1 millimeter (mm) position accuracy and 0.1 mm per year stability of the ITRF. This paper will describe the major requirements and accompanying design of the new SGSLR systems, how the systems will be tested, and the expected system performance.

J. F. Mcgarry↗

Reducing V&V Cost of Flight Critical Systems: Myth or Reality?

This paper presents an overview of NASA research program on the V&V of flight critical systems. Five years ago, NASA started an effort to reduce the cost and possibly increase the effectiveness of V&V for flight critical systems. It is the right time to take a look back and realize what progress has been made. This paper describes our overall approach and the tools introduced to address different phases of the software lifecycle. For example, we have improved testing by developing a statistical learning approach tor defining test cases. The tool automatically identifies possible unsafe conditions by analyzing outliers in output data; using an iterative learning process, it can then generate more test cases that represent potentially unsafe regions of operation. At the code level, we have developed and made available as open source a static analyzer for C and C++ programs called IKOS. We have shown that IKOS is very precise in the analysis of embedded C programs (very few false positives) and a bit less for regular C and C++ code. At the design level, in collaboration with our NRA partners, we have developed a suite of analysis tools for Simulink models. The analysis is done in a compositional framework for scalability.

Brat, Guillaume P.↗

Overview of MultiLayer Metal Insulation Development for Small Stirling Convertors at NASA Glenn Research Center

A small Stirling convertor is currently under development at the NASA Glenn Research Center to produce one watt of electrical power from eight watts of heat. Previous radioisotope power systems made use of the General-Purpose Heat Source (GPHS) which produces 250 watts of heat but is unsuitable for a one-watt Stirling convertor. The only other qualified heat source available is the Light-Weight Radioisotope Heating Unit (LWRHU), which produces one watt of heat and is primarily used to provide heat to electronics and instrumentation to maintain their appropriate operating temperature. Unfortunately, the LWRHU has a heat flux of 272 W/meters squared compared to the GPHS heat flux of 6000 W/m2 which greatly increases the demands on the insulation to ensure that enough of the heat produced is available to the convertor and not lost to the environment. An analysis was performed that showed that the insulation must have an effective thermal conductivity of 0.005 W/m·K or better for the system to function. A multi-layer metal insulation package was designed and a prototype was fabricated and tested to investigate the feasibility of this design. While the prototype did not meet the requirements perfectly, the lessons learned are being used to generate an improved thermal model using the test data so that a second iteration can developed that will meet the performance requirements with a much higher confidence.

Daniel D Goodell↗

Improved Breathing Cartridge (IBC)

The Fire Cartridge (FC) is designed to work with the Emergency Mask (EM) to protect the crew by cleaning the inhaled air in a post fire environment. The Improved Breathing Cartridge (IBC) is designed as a next generation FC with the lessons learned from years of building and testing the FC design, as well as novel catalyst materials to improve the performance and robustness of the cartridge. The FC was designed with minimal margin to save on mass, while the IBC was sized to have over 100% excess catalyst to achieve the required conversion, and still reduce the production cost. Kinetic data taken from another project was used to size the catalyst bed from the standard plug flow reactor conversion equation. The cartridge has been 3D printed and will soon be filled with the required levels of media. Testing has not yet been performed to determine final performance.

Fire Response↗

High‐Asymmetry Metasurface: A New Solution for Terahertz Resonance via Active Learning‐Augmented Diffusion Model

Terahertz (THz) metamaterials with high‐figure‐of‐merit (high‐FoM) performance resonance are essential for advancing sensors, detectors, and imagers. Conventional designs focus on symmetric or low‐asymmetry geometric structures, leaving high‐asymmetry designs largely unexplored due to the inefficiency of trial‐and‐error‐based rational design. Recent deep learning techniques offer automation and acceleration but are constrained by the need for large datasets inherent to their data‐driven nature. Here, a novel prior knowledge‐guided generative model augmented by a physics‐constrained active learning mechanism to design high‐asymmetry metamaterials. An advanced diffusion model learns features from a small set of classical structures with high‐FoM THz resonance and generates new high‐asymmetry structures. To mitigate the limited number of classical structures, the generated high‐asymmetry structures are actively selected and integrated into the initial training dataset based on their physical characteristics. Experimental results demonstrate the superior resonance performance of the generated high‐asymmetry metamaterials over classical designs, exhibiting improvements exceeding 30% in key resonance metrics. Remarkably, this performance is attained using only 68 classical structures as the initial training dataset, significantly reducing the data requirements for deep learning‐based metamaterial design. The proposed scheme for generating high‐asymmetry structures provides a new effective and efficient solution for high‐FoM resonance, expanding applications in high‐sensitivity THz metadevices.

diffusion model↗

Discriminative versus generative approaches to simulation-based inference

Most of the fundamental, emergent, and phenomenological parameters of particle and nuclear physics are determined through parametric template fits. Simulations are used to populate histograms which are then matched to data. This approach is inherently lossy, since histograms are binned and low-dimensional. Deep learning has enabled unbinned and high-dimensional parameter estimation through neural likelihood(-ratio) estimation. We compare two approaches for neural simulation-based inference (NSBI): one based on discriminative learning (classification) and one based on generative modeling. These two approaches are directly evaluated on the same datasets, with a similar level of hyperparameter optimization in both cases. In addition to a Gaussian dataset, we study NSBI using a Higgs boson dataset from the FAIR Universe Challenge. We find that both the direct likelihood and likelihood ratio estimation are able to effectively extract parameters with reasonable uncertainties. For the numerical examples and within the set of hyperparameters studied, we found that the likelihood ratio method is more accurate and/or precise. Both methods have a significant spread from the network training and would require ensembling or other mitigation strategies in practice.

high energy physics↗

Bridging the time scale in exascale computing of chemical systems (Final Technical Report)

This report summarizes the work carried out with support of the United States Department of Energy under Award DE-SC0019441. The theme of this project was to develop and apply methods that allowed for the acceleration of atomistic calculations, particularly in challenging areas such as multiphase systems, electrified interfaces, uncertainty estimation, and applications requiring chemical accuracy, which tend to be applications where simulation time is severely bottlenecked by the computational time requirements. Much of the focus was on the application of emerging machine-learning methodologies, although a wide range of methodologies were employed. This report has two major sections. The first focuses on the methodological advances themselves. Within this part, we report a number of major advances, a few examples of which are described here. We report the first machine-learning scheme for the acceleration of electronically grand-canonical calculations (that is, those applicable to electrochemistry). We report new methods of performing transfer learning, in which physics-based priors can be used to provide predictions, often with uncertainty estimates, of images well outside of training sets; we also offer ways to fine-tune these transfer-learning models. We provide a new systematic means to generate and apply minimal training data sets to very large (10,000’s of atoms) systems, with only small training sets appropriate for electronic structure. We developed new methodologies to integrate surface vibrations into surface adsorption calculations. We made advances to the applicability of diffusion Monte Carlo methods to allow (learned) force prediction, finite-size error correction, and force-free means of searching for transition states. We integrated machine-learned atomistic predictions into mechanism generation codes. Additionally, we released new software including AmpTorch, a modernized version of our original atomistic machine-learning code Amp. The second part of this report focuses on the scientific applications that accompanied, and were often enabled by, the methodological advances described earlier. A few examples follow, but full details are in the individual chapters of the report. For example, we developed a general theory of phonon-induced friction on molecular adsorbates. We showed fundamentally how solvent influences the adsorption and desorption process and how it differs from the processes typically involved at the solid–gas interface, making aqueous-phase and electrocatalysis different from traditional thermocatalysis. We examined how metal–insulator and magnetic transitions can be probed, and accelerated exciton dynamics via Frenkel Hamiltonian parameters. We showed that the nearsighted force-training approach, developed within this project, can predict both the stability and reactivity of large nanoparticles, and can also lead to insights on catalyst coverage on binding energies and entropies. These applied studies, which generally integrated with our method development, allowed us to push forward the theoretical understanding of several reaction classes.

08 HYDROGEN↗

Leveraging operator learning to accelerate convergence of the preconditioned conjugate gradient method

We propose a new deflation strategy to accelerate the convergence of the preconditioned conjugate gradient (PCG) method for solving parametric large-scale linear systems of equations. Unlike traditional deflation techniques that rely on eigenvector approximations or recycled Krylov subspaces, we generate the deflation subspaces using operator learning, specifically the Deep Operator Network (DeepONet). To this aim, we introduce two complementary approaches for assembling the deflation operators. The first approach approximates near-null space vectors of the discrete PDE operator using the basis functions learned by the DeepONet. The second approach directly leverages solutions predicted by the DeepONet. To further enhance convergence, we also propose several strategies for prescribing the sparsity pattern of the deflation operator. Here, a comprehensive set of numerical experiments encompassing steady-state, time-dependent, scalar, and vector-valued problems posed on both structured and unstructured geometries is presented and demonstrates the effectiveness of the proposed DeepONet-based deflated PCG method, as well as its generalization across a wide range of model parameters and problem resolutions.

Deflation↗

Massive all-atom analysis of 2D materials with quantum properties (Final report)

Improvements in microscopy have enabled the acquisition of data at a scale that is difficult to process manually, making automated machine learning approaches to analyzing experimental images essential. In this project, we developed and applied machine learning (ML) workflows for atomic resolution scanning transmission electron microscopy (STEM) images. This development included improving both methodology as well as generating user-friendly codes. We developed machine learning architectures which, after training, automatically identify the location and types of defects throughout a material. We used these data to produce class-averaged images of 2D atomic coordinates with up to 0.3 pm precision, uncovering the structure and oscillations of long-range strain fields around point defects in WSe 2-2x Te 2x . We also resolved a long-standing problem in this field in the training of ML models, a lack of labeled experimental data, by developing a cycle-GAN that transformed simulated-generated labeled data into labeled data indistinguishable from experiment and therefore suitable for training. This removed the remaining parts of the ML data processing workflow where human intervention was still critical and therefore a bottleneck to working at scale. Codes have been developed and released for this full machine learning workflow. ML approaches to partially automate STEM acquisition were also developed. Finally we applied ML and other advanced data processing methods to several materials science problems in two-dimensional materials, including studying the evolution of hyperuniformity with defect concentration in WSe2, understanding phase transformations in transition metal dichalcogenides during in-situ heating in the STEM, and exploring how 2D interfaces transform from twisted into aligned structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Addressing Low-Cost Methane Sensor Calibration Shortcomings with Machine Learning

Quantifying methane emissions is essential for meeting near-term climate goals and is typically carried out using methane concentrations measured downwind of the source. One major source of methane that is important to observe and promptly remediate is fugitive emissions from oil and gas production sites but installing methane sensors at the thousands of sites within a production basin is expensive. In recent years, relatively inexpensive metal oxide sensors have been used to measure methane concentrations at production sites. Current methods used to calibrate metal oxide sensors have been shown to have significant shortcomings, resulting in limited confidence in methane concentrations generated by these sensors. To address this, we investigate using machine learning (ML) to generate a model that converts metal oxide sensor output to methane mixing ratios. To generate test data, two metal oxide sensors, TGS2600 and TGS2611, were collocated with a trace methane analyzer downwind of controlled methane releases. Over the duration of the measurements, the trace gas analyzer’s average methane mixing ratio was 2.40 ppm with a maximum of 147.6 ppm. The average calculated methane mixing ratios for the TGS2600 and TGS2611 using the ML algorithm were 2.42 ppm and 2.40 ppm, with maximum values of 117.5 ppm and 106.3 ppm, respectively. A comparison of histograms generated using the analyzer and metal oxide sensors mixing ratios shows overlap coefficients of 0.95 and 0.94 for the TGS2600 and TGS2611, respectively. Overall, our results showed there was a good agreement between the ML-derived metal oxide sensors’ mixing ratios and those generated using the more accurate trace gas analyzer. This suggests that the response of lower-cost sensors calibrated using ML could be used to generate mixing ratios with precision and accuracy comparable to higher priced trace methane analyzers. This would improve confidence in low-cost sensors’ response, reduce the cost of sensor deployment, and allow for timely and accurate tracking of methane emissions.

03 NATURAL GAS↗

Generative AI for design of nanoporous materials: review and future prospects

Generative artificial intelligence (AI) is emerging as a powerful tool for advancing the design of nanoporous materials such as metal–organic frameworks, covalent–organic frameworks, and zeolites. These materials have potential application in important areas such as carbon capture, catalysis, gas storage, chemical separation, and drug delivery due to their modular, tunable structures, and their performance in these areas depends on precise control over their structure, chemical functionalities, and properties. Herein, we provide a review of generative AI algorithms that are emerging as powerful tools for the design of nanoporous materials, namely generative adversarial networks, variational autoencoders, diffusion models, genetic algorithms, reinforcement learning, and large language models. Some models are particularly good at generating diverse and high-quality designs, while others excel at exploring large design spaces or optimizing materials with desired properties. Certain algorithms also allow for efficient transitions between different designs, and some offer versatility in generating materials based on textual input. We discuss the advantages, limitations, and applications of these algorithms in porous material design and emphasize the future potential of integrating AI with experimental workflows to accelerate the development and validation of AI-generated materials.

36 MATERIALS SCIENCE↗

Two frameworks for integrating knowledge in induction

The use of knowledge in inductive learning is critical for improving the quality of the concept definitions generated, reducing the number of examples required in order to learn effective concept definitions, and reducing the computation needed to find good concept definitions. Relevant knowledge may come in many forms (such as examples, descriptions, advice, and constraints) and from many sources (such as books, teachers, databases, and scientific instruments). How to extract the relevant knowledge from this plethora of possibilities, and then to integrate it together so as to appropriately affect the induction process is perhaps the key issue at this point in inductive learning. Here the focus is on the integration part of this problem; that is, how induction algorithms can, and do, utilize a range of extracted knowledge. Preliminary work on a transformational framework for defining knowledge-intensive inductive algorithms out of relatively knowledge-free algorithms is described, as is a more tentative problems-space framework that attempts to cover all induction algorithms within a single general approach. These frameworks help to organize what is known about current knowledge-intensive induction algorithms, and to point towards new algorithms.

Rosenbloom, Paul S.↗

Resource-Adaptive Federated Text Generation with Differential Privacy

In cross-silo federated learning (FL), sensitive text datasets remain confined to local organizations due to privacy regulations, making repeated training for each downstream task both communication-intensive and privacy-demanding. A promising alternative is to generate differentially private (DP) synthetic datasets that approximate the global distribution and can be reused across tasks. However, pretrained large language models (LLMs) often fail under domain shift, and federated finetuning is hindered by computational heterogeneity: only resource-rich clients can update the model, while weaker clients are excluded, amplifying data skew and the adverse effects of DP noise. We propose a flexible participation framework that adapts to client capacities. Strong clients perform DP federated finetuning, while weak clients contribute through a lightweight DP voting mechanism that refines synthetic text. To ensure the synthetic data mirrors the global dataset, we apply control codes (e.g., labels, topics, metadata) that represent each client’s data proportions and constrain voting to semantically coherent subsets. This two-phase approach requires only a single round of communication for weak clients and integrates contributions from all participants. Experiments show that our framework improves distribution alignment and downstream robustness under DP and heterogeneity.

Wang, Jiayi [ORNL]↗