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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Iterative ML and Experiments for Emerging VOCs

SAND2026-17074O Iterative ML and Experiments for Emerging VOCs is a tool that analyzes and predicts the behaviors of SARS-CoV-2 variants. It processes experimental data on ACE2 (the receptor for the SARS-CoV-2 virus that allows it to infect the cell) and antibody binding using machine learning models, including neural networks, to forecast ACE2 interactions and variant expression. The tool employs transfer learning and global epistasis modeling, integrating public datasets with proprietary data to enhance prediction accuracy. Additionally, it fits concentration-response curves to determine dissociation constants and generates visualizations to support research findings, thereby aiding in the identification of new antibodies for emerging variants of concern. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sheffield, Thomas [Sandia National Lab. (SNL-NM), ↗
DOE OSTI2024

SBND Analysis using ML Reconstruction Chain

As part of the Short Baseline Neutrino (SBN) Program at Fermilab, the Short Baseline Near Detector (SBND) is positioned in the Booster Neutrino Beam (BNB) and explores neutrino-argon interactions with unprecedented statistics. SBND is a Liquid Argon Time Projection Chamber (LArTPC). Electrons produced through ionization drift toward three wire planes, providing signals that form 2D images of particle trajectories. I introduce the Scalable Particle Imaging using Neural Embeddings (SPINE) framework, which employs a Machine Learning (ML)-based 3D reconstruction using a series of neural networks. Here, we present SPINE’s reconstruction chain, analysis approaches, and results from our latest simulation samples.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

PV-Finder: ML Based Algorithm for Primary Vertex Identification

he CMS detector at the High-Luminosity Large Hadron Collider (HL-LHC) will operate in challenging conditions with expected pile-up of up to 200 collisions per bunch crossing, necessitating the development of a more resilient primary vertex (PV) reconstruction method to ensure the integrity of data analysis and the efficiency of the CMS triggering system. This contribution describes preliminary studies on a new ML based PV-Finder method for PV identification. The method is based on a model trained using Kernel Density Estimations (KDEs) derived from the positions of reconstructed tracks at the beamline, incorporating uncertainties from track parameters. It also utilizes target histograms, modeled as Gaussian distributions centered on the actual ground truth values of specific primary vertices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1979

Development, testing, and certification of the Northrup, Inc., ML series concentrating solar collector model NSC-01-0732

A summary is presented of the additional development work on the existing ML Series concentrating solar collector for use with solar heating and cooling systems. The report discusses the intended use of the final report, describes the development hardware, lists deliverable end items, deals with problems encountered during fabrication and testing, and includes certification statements of performance. This report shows that the products developed are marketable and suitable for public use.

Parker, J. C.↗
NASA NTRS1990

Comparison of the bonding between ML(+) and ML2(+) (M = metal, L = noble gas)

Ab initio calculations are reported of the spectroscopic constants for the low-lying states of the molecular ions ML2(+), where M = Li, Na, Mg, V, Fe, Co, Ni and Cu, and where L is usually Ar. Comparison with existing analogous calculations on the ML(+) ions shows how the bonding and binding energy change with the addition of a second noble gas atom. The second binding energy is predicted to be essentially the same as the first for the Li, Na, Mg, and V ions, but larger for the Fe, Co, Ni and Cu ions. The binding energies of the transition metal noble gas ions are not accurately predicted at the SCF level, because correlation is required to describe their M(0)Ln(+) character. All trends can be explained in terms of promotion and hybridization on the metal ion.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1992

Real-time combining of residual carrier array signals using ML weight estimates

A real-time digital signal combining system for use with array feeds is proposed. The combining system attempts to compensate for signal-to-noise ratio (SNR) loss resulting from antenna deformations induced by gravitational and atmospheric effects. The combining weights are obtained directly from the observed residual carrier samples in each channel using a 'sliding-window' implementation of a maximum-likelihood (ML) parameter estimator. It is shown that with averaging times of about 0.1 s, combining loss for a seven-element array can be limited to about 0.1 dB in a realistic operational environment. This result suggests that the real-time combining system proposed here is capable of recovering virtually all of the signal power captured by the array feed, even in the presence of severe wind gusts and similar disturbances.

Vilnrotter, Victor A.↗
NASA NTRSDate not supplied

Machine Learning (ML) Airport Surface Model

This presentation was presented to SWS Data Mining and Prediction RTT subgroup on behalf of DMTA ML/AI processes RTT subgroup. The slides presented a review of ML airport surface model and showed validation results at KDFW.

Machine Learning↗
NASA NTRS2021

Simons Observatory HoloSim-ML: Machine Learning Applied to the Efficient Analysis of Radio Holography Measurements of Complex Optical Systems

Near-field radio holography is a common method for measuring and aligning mirror surfaces for millimeter andsub-millimeter telescopes. In instruments with more than a single mirror, degeneracies arise in the holographymeasurement, requiring multiple measurements and new fitting methods. We present HoloSim-ML, a Pythoncode for beam simulation and analysis of radio holography data from complex optical systems. This code usesmachine learning to efficiently determine the position of hundreds of mirror adjusters on multiple mirrors with fewmicrometer accuracy. We apply this approach to the example of the Simons Observatory 6 m telescope.

Grace E Chesmore↗
NASA NTRSDate not supplied

A New ML-Based Adaptive Thinning Methodology to Improve the Impact of AIRS and CrIS Assimilation on Global Tropical Cyclone Forecasts

This work builds on previous research performed by this team to improve the forecast of Tropical Cyclones (TCs) by assimilating AIRS and CrIS radiances into the NASA Global Earth Observing System (GEOS). Past published work demonstrated that the assimilation of radiances with variable density was beneficial to TC forecasting in the GEOS. In the previous setup, a fixed-size moving square named 'TC domain' was activated by the so-called TC-vitals, an international real-time message accessible to all NWP forecasting centers, that documents the existence of a TC, its estimated position, and its size. The information from TC-vitals activated a switch in the GEOS, which allowed to reduce the distance used for thinning AIRS and CrIS data inside a 15 degrees by 15 degrees moving TC domain centered on the storm, so that more data were assimilated in the vicinity of the TC during its lifetime. The methodology produced improved TC analyses and led to better forecasts, particularly related to intensity, without damaging the global forecast skill. In the new version, the adaptive thinning methodology is based on a machine-learning technique. The technique searches for TCs and creates TC masks by using cloud-top temperatures from all geostationary satellites without the need for additional information. It is being trained against the International Best Track Archive for Climate Stewardship (IBTrACS) data base. Once a TC mask is created, a switch identical to the one used in the previous adaptive thinning method is activated, allowing the GEOS to ingest more data in the TC-shaped size-changing domain that follows the storm. As of today, the team has been able to successfully assimilate data inside the ML-detected TC domains. Future work includes an improved capability of reducing false alarm rates (i.e., cloud systems that are erroneously labeled as TCs).

Oreste Reale↗
NASA NTRSDate not supplied

Surface Hardness Testing of Mobile Launcher 1 (ML-1) Vehicle Support Posts (VSP) Following Artemis I Launch Exposure

Following the successful launch of Artemis I on November 16th, 2022 (Fig 1), a surface hardness assessment was performed on the eight primary VSPs (Figs. 2, 3) located on the Zero Deck of the ML. This assessment was performed as part of an instrument investigation for strain gauges installed on VSP interior surfaces that had a “strange reaction”. This report does not address the VSP strain gauge investigation, but rather VSP structural integrity for future service (Artemis II, III, …). Surface hardness measurements were taken to assess the strength of the ASTM A148 steel castings to confirm thermal exposure from launch had not reannealed the VSPs. However unlikely, it is possible high temperature may have heated and tempered (reannealed) the VSPs, resulting in a change of built-in stresses. This loss in built-in stress may explain the change in off-set measured by the strain gauges. Initial hardness measurements were made at two interior surfaces of VSPs near the strain gauges and the corresponding exterior surfaces (engine hole-facing). Field hardness measurements on the exterior, engine hole surface-facing surfaces for all eight VSPs ranged from 175 to 226 HB/P, well below the minimum hardness of 302 Brinell (HB). Opposing interior surface hardness measurements near strain gauges ranged from 264 to 358 HB/P. In all cases for flight VSPs, a drop in interior-to-exterior hardness ranging from 70 to 132 HB/P was measured. Surface hardness measurements were then made on the two spare VSPs not exposed to launch temperatures for baseline comparison. These two spare VSPs had a drop in Brinell hardness from interior to exterior surfaces ranging from 3 to 17 HB/P. The large interior-to-exterior delta hardness for eight flight VSPs but not for the two spare VSPs suggests launch exposure temperatures softened the exterior surfaces, raising two questions: 1) Are the VSPs compromised for future use, and 2) How deep is the exterior surface softening effect? To address concerns of low surface hardness values at non-critical exterior surfaces, additional field surface hardness measurements were taken at high-stress locations on VSP3: Both door jams, back radius, and internal left and right radius near the base. These values came in well above the required minimum hardness (317 to 365 HB/P). For a more representative pre-launch versus post-launch surface hardness comparison, VSP Acceptance Data Packages (ADPs) were reviewed, and hardness measurements were made at the same eight original locations on VSP3 where hardness measurements were made at the foundry. To determine the degree of softening, 1/8” of material was machined away at three exterior surfaces of engine hole-facing side (Fig. 4). A significant increase in surface hardness was measured ranging from 50 to 86 HB/P. Values at these three locations were still slightly below the required minimum hardness, so an additional 1/8” material was machined away, and hardness values were retaken. At the ¼” depth, hardness values increased to 321 to 324 HB/P. These values fall above the required minimum, concluding surface hardness testing. Rationale for VSP continued use was reached with no restrictions during a Chief Engineering Review based on hardness values exceeding minimum at critical locations and subsurface locations for VSP #3.

Artemis I↗
NASA NTRSDate not supplied

Parameterization of Vertical Cloud Distribution from C3M and MERRA Data Using ML Method

Clouds play a key role in regulating the hydrological cycle and the Earth's radiative energy budget. However, global climate models (GCMs) with a horizontal grid spacing on the order of 100 km have limitations in representing sub-grid cloud dynamics with spatial scales on the order of 1 km, leading to potential uncertainties in cloud radiative feedback on the global scale. In our research, we will leverage the capabilities of Deep Machine Learning (DML) methods to construct parameterizations of sub-grid volumetric cloud fraction (VCF), which is the frequency of occurrence on a grid volume accumulated in the horizontal and vertical directions. Our investigation delves into the intricate relationship between VCF obtained from the NASA CALIPSO-CloudSat-CERES-MODIS (CCCM) satellite observation data and 3-D MERRA-2 reanalysis meteorological profiling data (e.g., wind, relative humidity, temperature). Through a comprehensive one-year data training utilizing the Sequence to Sequence DML method, we have successfully disentangled the complicated cloud formation dynamics across diverse meteorological conditions through a day-to-day analysis framework. Preliminary findings reveal promising statistical agreements in geographical and vertical distributions and seasonal variations of volumetric cloud fraction between ML prediction and satellite measurements. These results underscore the aptitude of our DML model to discern underlying cloud physical processes and accurately represent sub-grid cloud formation dynamics. Additionally, we have also employed trained neural network to analyze uncertainties arising from errors in meteorological data, further enhancing the robustness of our VCF parameterization.

Shan Zeng↗
NASA NTRSDate not supplied

Investigating the Use of Machine Learning (ML) to Assess Tropospheric Doppler Radar Wind Profiler (TDRWP) Data Quality

Manual Quality Control (MQC) of Tropospheric Doppler Radar Wind Profiler (TDRWP) data is essential for defining an accurate climatology for downstream aerospace vehicle assessments. MQC traditionally takes around 30.5 hours per year of radar data. The Marshall Space Flight Center Natural Environments Branch (MSFC NE) used machine learning (ML) to test the feasibility of automating the MQC process, showing a potential to reduce labor by 300%. However, analysis of the model showed some false positives. We compared a neural network to the model to validate it and develop a process for assessing comparable solutions in the future.

Corey Walker↗
DOE OSTI2026

Machine Learning on Heterogeneous, Edge, and Quantum Hardware for Particle Physics (ML-HEQUPP)

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for scientific discovery demands real-time inference and decision-making, intelligent data reduction, and efficient processing architectures beyond current capabilities. Crucial to the success of this experimental paradigm are several emerging technologies, such as artificial intelligence and machine learning (AI/ML) and silicon microelectronics, and the advent of quantum algorithms and processing. Their intersection includes areas of research such as low-power and low-latency devices for edge computing, heterogeneous accelerator systems, reconfigurable hardware, novel codesign and synthesis strategies, readout for cryogenic or high-radiation environments, and analog computing. This white paper presents a community-driven vision to identify and prioritize research and development opportunities in hardware-based ML systems and corresponding physics applications, contributing towards a successful transition to the new data frontier of fundamental science.

Gonski, Julia [SLAC]↗
NASA NTRSDate not supplied

Coaxial Rotor CFD Validation and ML Surrogate Model Generation

A fixed-pitch speed-controlled coaxial rotor system was tested in the NASA Langley Transonic Dynamics Tunnel in September 2022. The rotors have a diameter of 1.35 meters and an inter-rotor spacing of 25% of the diameter. Though this test was focused on the NASA New Frontiers Dragonfly mission, the resulting dataset is relevant to a wide array of applications of multirotor vehicles, especially those using fixed-pitch variable-speed rotors. Most notably beyond Dragonfly, perhaps, is the application of coaxial rotor pair configurations for eVTOL and Urban Air Mobility (UAM) aircraft. This work provides a thorough CFD validation study quantifying coaxial rotor performance estimation with accuracy on order 5-10% using an efficient hybrid BEMT-URANS flow solver over a wide range of operating conditions. This accuracy was achieved using novel approaches for the construction of both the C81 airfoil performance lookup tables and the BEMT rotor model. These novel approaches are combined with advanced scripting to further accelerate the commercial off-the-shelf CFD solver on GPU accelerated machines. Finally, the development of machine learning surrogate models is presented to produce highly efficient and accurate rotor performance predictions for fixed-pitch variable-speed multirotor aircraft over the complete flight regime including scout, cruise, climb, descent, as well as limiting cases of vortex-ring and windmill-brake states.

Coaxial↗
DOE OSTI2024

Classification of events from α -induced reactions in the MUSIC detector via statistical and ML methods

The Multi-Sampling Ionization Chamber (MUSIC) detector is typically used to measure nuclear reaction cross sections relevant for nuclear astrophysics, fusion studies, and other applications. From the MUSIC data produced in one experiment scientists carefully extract an order of 10 3 events of interest from about 10 9 total events, where each event can be represented by an 18-dimensional vector. However, the standard data classification process is based on expert driven, manually intensive data analysis techniques that require several months to identify patterns and classify the relevant events from the collected data. Here, to address this issue, we present a method for the classification of events originating from specific α-induced reactions by combining statistical and machine learning methods that require significantly less input from the domain scientist, relative to the standard technique. Here, we applied the new method to two experimental data sets and compared our results with those obtained using traditional methods. With few exceptions, the number of events classified by our method agrees within ±20% with the results obtained using traditional methods. With the present method, which is the first of its kind for the MUSIC data, we have established the foundation for the automated extraction of physical events of interest from experiments using the MUSIC detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
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 OSTI2026

ML-Based Pebble Power Reconstruction for Pebble Bed Reactor Analysis

Pebble power reconstruction has been explored to complement the conventional homogenized modeling approach in pebble bed reactor (PBR) analysis, as detailed heterogeneous geometry calculations are computationally expensive. The random distribution of pebble fuels within the core challenges the application of conventional pin power reconstruction methods. To address this, we introduce a machine learning approach based on the transformer model, composed of encoder and decoder layers, to estimate the flux and power form functions for reconstructing individual pebble neutron fluxes and powers. The homogeneous neutron flux distribution within each spectral zone (SZ) is obtained from finite element solutions of global diffusion or transport calculations. Verification tests demonstrate that the trained transformer model accurately predicts power form functions over a range of conditions, including variations in pebble enrichment, location, type, SZ size, and burnup. In particular, verification using a three-dimensional PBR benchmark with burned pebbles shows good agreement in heterogeneous pebble power distributions between Griffin and Serpent. These results highlight the potential of applying conventional pin power reconstruction approaches to PBR cores with randomly distributed pebbles.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗