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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Acoustic-based monitoring and machine learning of component status for microreactor applications

This report provides a description and assessment of recent efforts to couple acoustic-based experimental measurements and characterization with machine learning models in order to enhance structural health monitoring capabilities for nuclear microreactors. With resilient embedded sensors in development by others supported by programs funded by the US Department of Energy’s Office of Nuclear Energy, the work described herein builds upon ongoing efforts to improve non-destructive testing technology that relates measured acoustic signatures to component stresses and/or structural defects, using a combination of new experimental measurements and machine learning architectures. The experimental procedure remained similar to that developed for the previous year’s demonstration of damage detection by the authors, with the same damaged sample tested under similar applied stress conditions. Notably, a new mounting fixture was designed and implemented to improve measurement consistency and a more sophisticated laser Doppler vibrometer was employed to make high-fidelity vibration measurements. Two nominally identical sets of training data were collected for each experimental setup to better understand the repeatability of the experiment and to better test the generality of trained neural network models. Additionally, we obtained new high-quality 3D mode shapes of the damaged test article at various stress and excitation levels, providing greater insights into the physical response of the sample during testing. Previously, we demonstrated that a machine learning model based on a convolutional neural network can predict structural details of an artificially introduced interface (intact, rough cut, smooth cut), and the applied torque level. In this study, we have transitioned to graph-based neural network architectures to better develop and test a flexible framework that is more suitable to being transferred away from controlled benchtop experiments and into more applied settings where less-structured data inputs may be expected. In general, performance testing of a graph neural network on frequency-domain representations of the data indicates strong and consistent identification of test conditions for datasets recorded on damaged components. With goals of predicting damage location and other changing experimental conditions using limited datasets, predictive models using a graph neural network architecture correctly predicted the applied torque level with an accuracy of 85% using only a single measurement point and predicted within one torque level in 95% of test windows. Predictions of damage location had limited success due to the symmetry and minimal number of the damage scenarios presented during model training. Results were ambiguous as to whether the model could detect the location of the artificial damage, or if it was instead learning the location of a given measurement point on the part and subsequently detecting which points were closest to the location of the damage. This finding will be factored into upcoming planned work on damaged graphite components, where new experimental tests with a larger number and variety of damage scenarios are expected to provide improved validation of recent developments in monitoring methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Alpert multi-wavelets for functional inverse problems: direct optimization and deep learning

Computational engineering models often contain unknown entities (e.g. parameters, initial and boundary conditions) that require estimation from other measured observable data. Estimating such unknown entities is challenging when they involve spatio-temporal fields because such functional variables often require an infinite-dimensional representation. Here, we address this problem by transforming an unknown functional field using Alpert wavelet bases and truncating the resulting spectrum. Hence the problem reduces to the estimation of few coefficients that can be performed using common optimization methods. We apply this method on a one-dimensional heat transfer problem where we estimate the heat source field varying in both time and space. The observable data is comprised of temperature measured at several thermocouples in the domain. This latter is composed of either copper or stainless steel. The optimization using our method based on wavelets is able to estimate the heat source with an error between 5% and 7%. We analyze the effect of the domain material and number of thermocouples as well as the sensitivity to the initial guess of the heat source. Finally, we estimate the unknown heat source using a different approach based on deep learning techniques where we consider the input and output of a multi-layer perceptron in wavelet form. We find that this deep learning approach is more accurate than the optimization approach with errors below 4%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Explainable machine learning for incipient anomaly detection in compact molten salt heat exchanger with overlapping feature distributions

High-temperature molten salt-cooled reactors (MSCRs) are a promising next-generation nuclear technology option, offering efficient power conversion and inherent safety features. However, the reliability of these systems depends on the robust operation of heat exchangers (HXs), which are susceptible to failure due to temperature gradients and channel plugging caused by fluid freezing. Conventional monitoring methods, relying on inlet and outlet measurements, lack the spatial resolution needed to detect early-stage faults. We propose a novel design of a compact salt-to-salt matrix-type HX design consisting of interleaved arrays of parallel tubes, with integrated synthetic fiber optic distributed temperature sensing (DTS) to enable localized detection of incipient faults. To evaluate performance of this design, we generate high-fidelity synthetic data using heat transfer computational modeling to simulate channel plugging, and introduce sensor noise for realistic modeling of measurements. The dataset comprises of 97% normal operation and 3% anomaly cases, with each anomaly class representing 1% of the data. These early anomalies result in overlapping temperature profiles between normal and faulty channels, producing a non-separable dataset that challenges traditional classification techniques. We benchmark eight supervised machine learning (ML) models and demonstrate that XGBoost achieves the highest performance. To improve transparency, we develop an explainability framework combining Shapley values and partially ordered sets (POSETs) to quantify and structurally analyze feature importance. This approach identifies both dominant predictors and ambiguous feature relationships, enhancing trust and interpretability. Our results highlight the potential of combining DTS and explainable ML with intelligent feature selection to improve predictive maintenance and ensure operational resilience in advanced nuclear systems.

Prantikos, Konstantinos [Argonne National Laborato↗
DOE OSTI2020

The connectome of the adult Drosophila mushroom body provides insights into function

Making inferences about the computations performed by neuronal circuits from synapse-level connectivity maps is an emerging opportunity in neuroscience. The mushroom body (MB) is well positioned for developing and testing such an approach due to its conserved neuronal architecture, recently completed dense connectome, and extensive prior experimental studies of its roles in learning, memory, and activity regulation. Here, we identify new components of the MB circuit in Drosophila , including extensive visual input and MB output neurons (MBONs) with direct connections to descending neurons. We find unexpected structure in sensory inputs, in the transfer of information about different sensory modalities to MBONs, and in the modulation of that transfer by dopaminergic neurons (DANs). We provide insights into the circuitry used to integrate MB outputs, connectivity between the MB and the central complex and inputs to DANs, including feedback from MBONs. Our results provide a foundation for further theoretical and experimental work.

Li, Feng↗
NASA NTRS2005

Auxiliary Propulsion Activities in Support of NASA's Exploration Initiative

The Space Launch Initiative (SLI) procurement mechanism NRA8-30 initiated the Auxiliary Propulsion System/Main Propulsion System (APS/MPS) Project in 2001 to address technology gaps and development risks for non-toxic and cryogenic propellants for auxiliary propulsion applications. These applications include reaction control and orbital maneuvering engines, and storage, pressure control, and transfer technologies associated with on-orbit maintenance of cryogens. The project has successfully evolved over several years in response to changing requirements for re-usable launch vehicle technologies, general launch technology improvements, and, most recently, exploration technologies. Lessons learned based on actual hardware performance have also played a part in the project evolution to focus now on those technologies deemed specifically relevant to the Exploration Initiative. Formal relevance reviews held in the spring of 2004 resulted in authority for continuation of the Auxiliary Propulsion Project through Fiscal Year 2005 (FY05), and provided for a direct reporting path to the Exploration Systems Mission Directorate. The tasks determined to be relevant under the project were: continuation of the development, fabrication, and delivery of three 870 lbf thrust prototype LOX/ethanol reaction control engines; the fabrication, assembly, engine integration and testing of the Auxiliary Propulsion Test Bed at White Sands Test Facility; and the completion of FY04 cryogenic fluid management component and subsystem development tasks (mass gauging, pressure control, and liquid acquisition elements). This paper presents an overview of those tasks, their scope, expectations, and results to-date as carried forward into the Exploration Initiative.

Best, Philip J.↗
NASA NTRS2009

Experimental Results of Integrated Refrigeration and Storage System Testing

Launch operations engineers at the Kennedy Space Center have identified an Integrated Refrigeration and Storage system as a promising technology to reduce launch costs and enable advanced cryogenic operations. This system uses a close cycle Brayton refrigerator to remove energy from the stored cryogenic propellant. This allows for the potential of a zero loss storage and transfer system, as well and control of the state of the propellant through densification or re-liquefaction. However, the behavior of the fluid in this type of system is different than typical cryogenic behavior, and there will be a learning curve associated with its use. A 400 liter research cryostat has been designed, fabricated and delivered to KSC to test the thermo fluid behavior of liquid oxygen as energy is removed from the cryogen by a simulated DC cycle cryocooler. Results of the initial testing phase focusing on heat exchanger characterization and zero loss storage operations using liquid oxygen are presented in this paper. Future plans for testing of oxygen densification tests and oxygen liquefaction tests will also be discussed. KEYWORDS: Liquid Oxygen, Refrigeration, Storage

Notardonato, W. U.↗
NASA NTRS2006

Lessons Learned from Daily Uplink Operations during the Deep Impact Mission

The daily preparation of uplink products (commands and files) for Deep Impact was as problematic as the final encounter images were spectacular. The operations team was faced with many challenges during the six-month mission to comet Tempel One of the biggest difficulties was that the Deep Impact Flyby and Impactor vehicles necessitated a high volume of uplink products while also utilizing a new uplink file transfer capability. The Jet Propulsion Laboratory (JPL) Multi-Mission Ground Systems and Services (MGSS) Mission Planning and Sequence Team (MPST) had the responsibility of preparing the uplink products for use on the two spacecraft. These responsibilities included processing nearly 15,000 flight products, modeling the states of the spacecraft during all activities for subsystem review, and ensuring that the proper commands and files were uplinked to the spacecraft. To guarantee this transpired and the health and safety of the two spacecraft were not jeopardized several new ground scripts and procedures were developed while the Deep Impact Flyby and Impactor spacecraft were en route to their encounter with Tempel-1. These scripts underwent several adaptations throughout the entire mission up until three days before the separation of the Flyby and Impactor vehicles. The problems presented by Deep Impact's daily operations and the development of scripts and procedures to ease those challenges resulted in several valuable lessons learned. These lessons are now being integrated into the design of current and future MGSS missions at JPL.

uplink↗
DOE OSTI2024

Predicting Partial Atomic Charges in Metal–Organic Frameworks: An Extension to Ionic MOFs

Molecular simulation is an invaluable tool to predict and understand the usage of metal–organic frameworks (MOFs) for gas storage and separation applications. Accurate partial atomic charges, commonly obtained from density functional theory (DFT) calculations, are often required to model the electrostatic interactions between the MOF and adsorbates, especially when the adsorbates have dipole or quadrupole moments, such as water and CO 2 . Machine learning (ML) models have been previously employed to predict partial charges and avoid the computational cost associated with DFT calculations. However, previous ML models suffer from small training data sets, which limit their scope of application. In this work, we introduce two novel machine learning models, PACMOF2-neutral and PACMOF2-ionic, aimed at predicting the density-derived electrostatic and chemical (DDEC6) partial atomic charges for both neutral and ionic MOFs. These models not only yield DFT-level accuracy at a fraction of the computational cost but also demonstrate a remarkable improvement in prediction of adsorption, as validated with grand canonical Monte Carlo simulations. Furthermore, the robustness and fast computational time of the PACMOF2 models, along with their transferability to other porous materials such as covalent organic frameworks and zeolites, underscores their potential in high-throughput screening of MOFs for diverse applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules

Deep learning models are efficient computational tools that can accelerate the inverse design of molecules with desired functional properties by generating predictions at a fraction of the time required by traditional quantum chemical approaches. To ensure that a model maintains accuracy and transferability across broad regions of the chemical space explored during the inverse design, it must be trained on massively large volumes of simulation data. This requires running large-scale ensemble quantum chemical calculations on high-performance computing (HPC) systems for data collection. However, the efficient execution of such large ensemble calculations and the management of large volumes of output data require tools that can judiciously utilize computational resources and manage metadata overhead on the file system. Therefore, we present a high-performance, scalable, ensemble management framework for performing data-intensive quantum chemical electronic structure calculations for organic molecules. This framework provides abstractions to plug different ab initio, first principles, and first principles-based semi-empirical methods and executes them efficiently at large scale on HPC systems. It dynamically distributes tasks to resources and uses tiered storage for managing large collections of files. We employed this framework to process over ten million organic molecules and generate open-source datasets that provide UV-vis absorption spectra by running time-dependent density-functional tight-binding calculations. It is the largest database containing molecular optical spectra that were simulated with quantum chemical methods in a consistent manner.

Mehta, Kshitij↗
DOE OSTI2025

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Charge accumulation and solvation in $β$-NiOOH: Surface chemistry of an OER catalyst from ML-aided simulations

Electrochemical water splitting is a key technology for a sustainable energy transition, providing a route to store surplus electricity from renewable sources. A central bottleneck is the sluggish oxygen evolution reaction (OER), which drives the search for catalysts that are active, stable, and inexpensive enough for large-scale deployment. Within this context, pure and doped NiO x H y combine high activity with low cost, making them prime candidates for alkaline OER. Yet, despite extensive study, the atomistic structure of NiOOH under operando conditions and the associated reaction mechanisms remain debated. Here, we investigate the structural complexity of pure β-NiOOH, the scaffold for its doped derivatives. We systematically investigate the oxidation of the surface adsorbates via proton-coupled electron transfer steps across relevant facets and sites, identifying the most probable sequence of deprotonation events. Our results reveal asymmetric charge accumulation on Wulff-relevant surfaces and show how applied potential can promote morphological restructuring. Explicit solvation is included through machine-learning interatomic potential molecular dynamics of the NiOOH/water interface, which allows us to resolve the hydrophobic and hydrophilic character of different surfaces and the associated interfacial water structure. Together, these insights demonstrate how surface chemistry and solvation jointly govern the stability of NiOOH and the accumulation of surface charge, with possible implications for catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Improving Knowledge Base with Network Architecture Diagrams

In order to ensure Cyber Security Team (CST) has access to updated and in-depth information regarding Fermilab systems, capabilities, procedures, tools, and training, the CST created the Knowledge Base. This consists of a wealth of information for current and future CST employees to improve knowledge retention and transfer. The Knowledge Base, however, uses outdated network diagrams that lack many of the previous and upcoming changes to the architecture. For this reason, updated diagrams have been created to reflect the current position of the CST capabilities. By employing the knowledge learned at Fermi National Accelerator Laboratory, three diagrams have been created to highlight the current state of the CST’s operations and capabilities.

Blum, Ethan↗
NASA NTRS1974

Experimenters' reference based upon Skylab experiment management

The methods and techniques for experiment development and integration that evolved during the Skylab Program are described to facilitate transferring this experience to experimenters in future manned space programs. Management responsibilities and the sequential process of experiment evolution from initial concept through definition, development, integration, operation and postflight analysis are outlined and amplified, as appropriate. Emphasis is placed on specific lessons learned on Skylab that are worthy of consideration by future programs.

Source record↗
NASA NTRS1984

Holographic aids for internal combustion engine flow studies

Worldwide interest in improving the fuel efficiency of internal combustion (I.C.) engines has sparked research efforts designed to learn more about the flow processes of these engines. The flow fields must be understood prior to fuel injection in order to design efficient valves, piston geometries, and fuel injectors. Knowledge of the flow field is also necessary to determine the heat transfer to combustion chamber surfaces. Computational codes can predict velocity and turbulence patterns, but experimental verification is mandatory to justify their basic assumptions. Due to their nonintrusive nature, optical methods are ideally suited to provide the necessary velocity verification data. Optical sytems such as Schlieren photography, laser velocimetry, and illuminated particle visualization are used in I.C. engines, and now their versatility is improved by employing holography. These holographically enhanced optical techniques are described with emphasis on their applications in I.C. engines.

Regan, C.↗
NASA NTRS1992

Thermal conductance of two interface materials and their applications in space systems

The temperature control of spacecraft and instrument systems and subsystems requires heat transfer interface materials that possess good thermal and structural characteristics, among other properties, to respond to the vacuum environment of space. These materials must be easy to apply to, and remove from, the surfaces where they are applied, and must be able to withstand power dissipation extremes, and be used for different clamping configurations and pressures. Silicone based greases, used in the past, tend to migrate and to contaminate nearby surfaces. Bare metal to metal contact offers low thermal conductance and difficulties in estimating the actual heat transfer. Several polymeric materials containing different thermal conductive compounds and structural reinforcements were prepared to overcome grease and metal problems. Two polymeric materials were evaluated: Cho-Therm 1671 elastomer; and the CV-2946, a conductive RTV silicone. Tests were done to learn more about these products. Results indicate that the tightly bolted, torqued fixtures did not buckle or distort, and provided optimum thermal conductance. Fixtures simulating actual spacecraft configuration suffered bowing and separating.

Scialdone, J. J.↗
NASA NTRS2008

James Webb Space Telescope - L2 Communications for Science Data Processing

JWST is the first NASA mission at the second Lagrange point (L2) to identify the need for data rates higher than 10 megabits per second (Mbps). JWST will produce approximately 235 Gigabits of science data every day that will be downlinked to the Deep Space Network (DSN). To get the data rates desired required moving away from X-band frequencies to Ka-band frequencies. To accomplish this transition, the DSN is upgrading its infrastructure. This new range of frequencies are becoming the new standard for high data rate science missions at L2. With the new frequency range, the issues of alternatives antenna deployment, off nominal scenarios, NASA implementation of the Ka-band 26 GHz, and navigation requirements will be discussed in this paper. JWST is also using Consultative Committee for Space Data Systems (CCSDS) standard process for reliable file transfer using CCSDS File Delivery Protocol (CFDP). For JWST the use of the CFDP protocol provides level zero processing at the DSN site. This paper will address NASA implementations of Ground Stations in support of Ka-band 26 GHz and lesson learned from implementing a file base (CFDP) protocol operational system.

Johns, Alan↗
NASA NTRSDate not supplied

A Machine Learning Approach for the Remote Sensing Retrieval of Oil Spills from Polarimetric Measurements

The Fresnel laws of specular reflection directly connect remote sensing observations of light polarization within the sunglint region to the ocean surface refractive index. This parameter is instrumental to identify areas affected by oil, or any other floating substance capable of modifying the refractive index of pure seawater. In preparation for the NASA Plankton, Aerosol, ocean Ecosystem (PACE) mission, we are developing an advanced retrieval scheme that exploits such measurements to deliver the refractive index as an operational product. The original method was developed based on observations of the airborne Research Scanning Polarimeter. Here we present several aspects related to the extension of this technique to the PACE HARP-2 sensor (especially regarding the projected accuracy), and discuss preliminary results obtained by applying neural-network trainings to look-up tables produced with the forward radiative transfer code, with the goal of improving the computational performance. Success in the final implementation will guarantee a version of the retrieval algorithm suitable to fast-response needs and disaster management.

machine learning↗
DOE OSTI2026

Machine learning based prediction of airflow maldistribution in air-to-refrigerant heat exchangers

Flow maldistribution is a common challenge in heat exchanger (HX) design and particularly important for air-to-refrigerant geometries where capacity losses can approach 65%. This has a major impact on central air conditioning systems, as compact duct design motivates the use of A-type HXs which are known to be affected by airflow maldistribution. Because velocity profiles are difficult to predict, components are often oversized leading to increased material cost, system footprint, and refrigerant charge. Several studies detail airflow maldistribution for individual HXs and packages, but findings cannot always be extrapolated to new designs. In this work, a machine learning (ML) based flow profile prediction framework is developed and applied to two common package configurations: (i) A-type and (ii) U-type HXs, across a broad range of HX geometries and flow rates. Porous media CFD simulations are validated against independent data for both package types as well as comprehensive in house measurements for a finless geometry with shape optimized non-round tubes, which validates the framework for new heat transfer surfaces. The ML models are trained on the porous media CFD simulations, predicting volumetric flow rate (VFR) within 1.1% and 1.9% with maximum relative L 2 norm errors of 0.48 and 0.65, respectively, while also delivering 10 5 speed up factor compared to full porous media CFD. HX level simulations show an up to 9% reduction in heat transfer from flow maldistribution, with greater losses occurring at smaller half apex angles. This framework enables rapid and highly accurate prediction of airflow maldistribution induced capacity degradation.

42 ENGINEERING↗