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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Design and construction of the CMS Outer Tracker for the phase-2 upgrade

The High-Luminosity LHC (HL-LHC) is expected to deliver an integrated luminosity of 3000–4000 fb −1 over 10 years of operation with the peak instantaneous luminosity reaching about 5–7.5 × 1 0 34 cm −2 s −1 . During Long Shutdown 3, several components of the CMS detector will undergo major improvements, called Phase-2 upgrades, to be able to operate in the challenging environment of the HL-LHC. The current CMS tracker will be replaced. The Phase-2 Outer Tracker (OT) will have increased radiation tolerance, higher granularity, and the capability to handle higher data rates. Moreover, the OT will provide tracking information to the Level-1 trigger for the first time at a hadron collider, allowing trigger rates to be kept at a sustainable level without sacrificing physics potential. For this, the OT will be made of modules with two closely-spaced silicon sensors read out by front-end ASICs that can correlate hits in the two sensors to create short track segments, used in the Level-1 track finder. The modules come in two flavors: strip-strip and pixel-strip, containing different sensor configurations and multiple ASICs. This contribution presents the Phase-2 OT, the finalization of the OT module design, and the quality assurance and control procedures used to ensure that the modules fulfill both the specifications from the assembly steps as well as the proper communication among the ASICs.

Zoi, Irene [Fermilab] (ORCID:0000000257389446)↗
DOE OSTI2025

Simplifying activations with linear approximations in neural networks

A key step in Neural Networks is activation. Among the different types of activation functions, sigmoid, tanh, and others involve the usage of exponents for calculation. From a hardware perspective, exponential implementation implies the usage of Taylor series or repeated methods involving many addition, multiplication, and division steps, and as a result are power-hungry and consume many clock cycles. We implement a piecewise linear approximation of the sigmoid function as a replacement for standard sigmoid activation libraries. This approach provides a practical alternative by leveraging piecewise segmentation, which simplifies hardware implementation and improves computational efficiency. In this paper, we detail piecewise functions that can be implemented using linear approximations and their implications for overall model accuracy and performance gain. Our results show that for the DenseNet, ResNet, and GoogLeNet architectures, the piecewise linear approximation of the sigmoid function provides faster execution times compared to the standard TensorFlow sigmoid implementation while maintaining comparable accuracy. Specifically, for MNIST with DenseNet, accuracy reaches 99.91% (Piecewise) vs. 99.97% (Base) with up to 1.31x speedup in execution time. For CIFAR-10 with DenseNet, accuracy improves to 98.97% (Piecewise) vs. 99.40% (Base) while achieving 1.24x faster execution. Similarly, for CIFAR-100 with DenseNet, the accuracy is 97.93% (Piecewise) vs. 98.39% (Base), with a 1.18x execution time reduction. These results confirm the proposed method’s capability to efficiently process large-scale datasets and computationally demanding tasks, offering a practical means to accelerate deep learning models, including LSTMs, without compromising accuracy.

Activation function↗
DOE OSTI2024

In Vitro Encapsulation of Functionally Active Abiotic Photosensitizers Inside a Bacterial Microcompartment Shell

Bacterial microcompartments (BMCs) are self-assembling, selectively permeable protein shells that encapsulate enzymes to enhance catalytic efficiency of segments of metabolic pathways through means of confinement. The modular nature of BMC shells' structure and assembly enables programming of shell permeability and underscores their promise in biotechnology engineering efforts for applications in industry, medicine, and clean energy. Realizing this potential requires methods for encapsulation of abiotic molecules, which have been developed here for the first time. We report in vitro cargo loading of BMC shells with ruthenium photosensitizers (RuPS) by two approaches-one involving site-specific covalent labeling and the other driven by diffusion, requiring no specific interactions between cargo molecules and shell proteins. The highly stable shells retain encapsulated cargo over 1 week without egress and preserve RuPS photophysical activity. Finally, this study is an important foundation for further work that will converge biological BMC architecture with synthetic chemistry to facilitate biohybrid photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Report on DIC Cyclic Dryout Testing of ATF Cladding Materials

Boiling water reactors can experience anticipated operational occurrences, where an expected deviation from normal operating conditions is witnessed for short time scales. One example of such transients arises from cladding dryout, where stable boiling becomes unstable, resulting in cladding heat up before re-wetting occurs. To understand the impact of such transients on fuel cladding lifetime and performance, cyclic dryout conditions were imposed upon fresh fuel cladding in the absence of irradiation. Pressurized cladding tube segments were exposed to rapid temperature increases to intermediate temperatures below a cladding rupture threshold and deformation was monitored in situ via 3-D digital image correlation. The impact of cycle frequency on cladding deformation was assessed. A clear understanding of elastic and plastic strain responses were developed for Zr alloy deformation under temperature transients, and these results can be used to support material model development and validate fuel performance codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

YSO implantation detector for beta-delayed neutron spectroscopy

A segmented-scintillator-based implantation detector was developed to study the energy distribution of β-delayed neutrons emitted from exotic isotopes. The detector comprises a 34 × 34 YSO scintillator coupled to an 8 × 8 anode Position-Sensitive Photo-Multiplier Tube (PSPMT) via a tapered light guide. The detector was used at RIBF, RIKEN for time-of-flight-based neutron spectroscopy measurement in the 78Ni region. The detector provides the position and timing resolution necessary for ion-beta correlations and time of flight measurements. The detector provides a high ~80% beta-detection efficiency and a sub-nanosecond timing resolution. This contribution discusses the details of the design, operation, implementation, and analysis developed to obtain neutron time-of-flight spectrum and the analysis methods in the context of neutron-rich nuclei in the 78Ni region.

Implantation detector↗
DOE OSTI2025

Secure Route: Roadway Risk Mapping for Transportation Planners

The secure transport of sensitive materials across U.S. road networks pose unique challenges for local, state, and federal agencies. Threats range from random events (e.g., accidents, medical emergencies, mechanical failures) to opportunistic or organized tactical assaults. Although the probability of such attacks is very low, the consequences of material loss to foreign states or terrorists can be catastrophic, qualifying these scenarios as “grey swan” events—low-probability, high-impact occurrences that are predictable but difficult to quantify. Traditional risk assessments struggle in these contexts, necessitating a shift toward subjective risk perception to inform planning. Risk perception in transport planning is shaped by various factors, including knowledge of adversarial capabilities, vehicle defenses, manifest details, and geographic features along the route. Geographic features such as bridges, tunnels, roadside elevation, and gaps in cellular coverage introduce vulnerabilities, while mitigative features include safe havens, police stations, and medical services. Temporal variables such as congestion, accidents, and weather further complicate route planning. Despite their importance, existing routing tools like Google Maps and commercial software do not explicitly account for geographic risk features, requiring planners to rely on personal familiarity with routes—a time-intensive, non-scalable approach. This work addresses these gaps by: (1) developing datasets that catalog geographic risk features along U.S. roadways, (2) eliciting risk perceptions from experienced transportation security experts, and (3) linking these perceptions to roadway conditions and geographic data. We implement these capabilities within Secure Route a novel mapping tool for classifying route segment risks associated with roadway conditions. This system provides transportation planners with an intuitive interface to assess and contextualize risk along potential routes, improving decision-making for secure transport. We present current progress in this effort and identify next steps.

Stewart, Robert [ORNL] (ORCID:0000000281867559)↗
DOE OSTI2025

Improved Gas Plume Identification Using Nearest Neighbor Methods for Background Estimation

Longwave infrared (LWIR) hyperspectral imaging (HSI) can be used for many tasks in remote sensing, including detecting and identifying effluent gases by LWIR sensors on airborne platforms. Identification is used after detection to increase confidence in weakly detected plumes, reduce false positives from detection, and distinguish between similar and confounding material signatures. Background estimation is an important step used to reveal the unique spectral characteristics of the detected gas, allowing the identification model to determine what the gas is specifically. The importance of proper background estimation increases when dealing with weak signals, large libraries of gases of interest, and uncommon or heterogeneous backgrounds. In this article, we propose two methods for background estimation: a novel k-nearest segments (KNS) algorithm and the standard k-nearest neighbors (KNN) algorithm. We test our methods and three existing background estimation methods for comparison against global background estimation to determine which performs best at estimating the true background radiance under a plume and for increasing identification confidence using a neural network classification model. We compare the different methods using 640 simulated weak plumes in an urban environment. For identification, our KNS algorithm improves median neural network identification confidence by 53.2%. For background radiance estimation, the KNN algorithm provides a median of 49 times less RMSE than global background estimation. Furthermore, KNN is the easiest method to tune for different plumes, making it an excellent “out of the box” background estimator.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Physics-based reward driven image analysis in microscopy

The rise of electron microscopy has expanded our ability to acquire nanometer and atomically resolved images of complex materials. The resulting vast datasets are typically analyzed by human operators, an intrinsically challenging process due to the multiple possible analysis steps and the corresponding need to build and optimize complex analysis workflows. We present a methodology based on the concept of a Reward Function coupled with Bayesian Optimization, to optimize image analysis workflows dynamically. The Reward Function is engineered to closely align with the experimental objectives and broader context and is quantifiable upon completion of the analysis. Here, cross-section, high-angle annular dark field (HAADF) images of ion-irradiated (Y, Dy)Ba 2 Cu 3 O 7–δ thin-films were used as a model system. The reward functions were formed based on the expected materials density and atomic spacings and used to drive multi-objective optimization of the classical Laplacian-of-Gaussian (LoG) method. These results can be benchmarked against the DCNN segmentation. This optimized LoG* compares favorably against DCNN in the presence of the additional noise. We further extend the reward function approach towards the identification of partially-disordered regions, creating a physics-driven reward function and action space of high-dimensional clustering. We pose that with correct definition, the reward function approach allows real-time optimization of complex analysis workflows at much higher speeds and lower computational costs than classical DCNN-based inference, ensuring the attainment of results that are both precise and aligned with the human-defined objectives.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Machine learning for slow-extraction uniformity at the Fermilab Delivery Ring

The Muon-to-Electron Conversion Experiment (Mu2e) requires uniform slow extraction from the Fermilab Delivery Ring during each 43 ms spill. This project analyzed 13,737 spills from seven parquet files collected during March and June 2026 commissioning. Each spill contained 430 samples at 0.1 ms resolution and was summarized by the Spill Duty Factor. Null Action and active proportional-integral-derivative conditions established operational baselines. Fixed-ramp sessions were segmented to evaluate reproducibility, drift, and spill-to-spill spread, while a deliberate quadrupole-ramp step identified the beam-response peak and trough. Median profiles were reproducible within fixed conditions but drifted over multi-hour periods. The resulting baselines and response features support future physics-based and machine-learning approaches to real-time spill regulation.

Prescott, Matthew J. [Purdue U., West Lafayette; F↗
DOE OSTI2026

Dataset_for_Molecular_Motion_Below_the_Glass_Transition_A_Solid-State_NMR_Study_of_Siloxane_Polymer_Dynamics Study

This dataset contains solid-state 1H and 13C NMR relaxometry data, differential scanning calorimetry (DSC) data, and size exclusion chromatography (SEC/GPC) data supporting the study of sub-glass-transition (sub-Tg) molecular dynamics in a composition- and sequence-controlled series of diphenyl-substituted polysiloxanes (PDMS, 14Ph, 33Ph, 50Ph, 67Ph, and 100Ph; 0–100% diphenylsiloxane content by mole).All solid-state NMR data were acquired on a 200 MHz Bruker Avance III HD spectrometer using a static 7 mm HX probe or a 4 mm HX probe under 4 kHz magic-angle spinning. Raw Bruker TopSpin experiment folders are included for: (1) variable-temperature 1H lineshape measurements used to determine linewidth (FWHM) as a function of temperature across the glass transition; (2) 1H T1 (saturation recovery with solid-echo detection), probing nanosecond-scale dynamics near the 1H Larmor frequency; (3) 1H T1rho (direct spin-lock, 62.5 kHz), probing microsecond-scale segmental dynamics; (4) 13C-detected Lee–Goldburg cross-polarization 1H T1rho (LGCPH T1rho) for 33Ph and 50Ph, resolving aromatic and aliphatic proton environments; and (5) 13C T1 relaxation for 33Ph and 50Ph. Differential scanning calorimetry data (TA Instruments DSC 25, −150 to +120 °C, up to +300 °C for 100Ph, 10 °C/min) are included for all six compositions and support the glass-transition temperatures in Table 1 and Figure 1. Size exclusion chromatography data (Agilent 1200 Series, PL-Gel 300 mixed-C column, THF mobile phase, polystyrene calibration standards) are included for the three synthesized copolymers (33Ph, 50Ph, 67Ph) and support the number-average molecular weights in Table 1. Processed data include per-composition relaxation-time summaries (Excel), curve-fitting and Bloembergen-Purcell-Pound (BPP) model analysis notebooks (Jupyter/Python), and Igor Pro (.pxp) master files used to generate the manuscript's figures.

Bloembergen-Purcell-Pound theory↗
DOE OSTI2024

Reliability, biological variability, and accuracy of multi-frequency bioelectrical impedance analysis for measuring body composition components

Introduction Bioelectrical impedance analysis (BIA) systems are gaining popularity for use in research and fitness assessments as the technology improves and becomes more affordable and easier to use. Multifrequency BIA (MF-BIA) may improve accuracy and precision using octopolar contacts for segmental analyses. Purpose Evaluate reliability, biological variability, and accuracy of component measures (total body water, mass, and composition) of commercially available MF-BIA system (InBody 770, Cerritos, California, USA). Methods Fourteen healthy military-age adults were assessed by MF-BIA in duplicate on five laboratory visits across 3 weeks (10 measures each). Participants were evaluated at the same time of day after refraining from strenuous exercise (> 48 h), alcohol consumption (> 24 h), and caffeine, nicotine, and food (> 10 h). Systematic error (test–retest reliability) and biological variability (day-to-day reliability) were summarized by intraclass correlation coefficient (ICC) values determined for body mass (fat, fat-free, total) and body water (extracellular, intracellular, total). Body composition measurements derived from BIA on the second visit were also tested for accuracy compared to dual-energy x-ray absorptiometry (DXA). Results Test–retest reliability was very high for all measurements of whole-body water and mass (ICC ≥ 0.999) and high for regional body water and mass (ICC 0.973–1.000). Biological variability was observable with very minor differences between tests (same day) for total and regional body water (0.0–0.2 L) and total and regional body mass measurements (0.0–0.2 kg); while between day differences were slightly higher (0.0–0.5 L and 0.1–0.7 kg). Compared to DXA, the MF-BIA whole-body measures showed an offset in %BF (Bias −4.0 ± 2.8%; Standard error of the estimate (SEE), 2.6%), an overprediction for total body fat-free mass (Bias 2.8 ± 2.1 kg; SEE 2.2 kg) and an underprediction of total body fat mass (Bias −2.9 ± 2.0 kg; SEE 1.9 kg). Conclusion Under controlled conditions with fit and healthy men and women, this MF-BIA system has high methodological reliability and demonstrates stable day-to-day measurements of major body composition components. Previously reported ~3% body fat offset compared to criterion methods was again confirmed. Precision of the InBody 770 shows consistency and supports further testing of this specific device as a new military standards method and suitability across a wider range of %BF.

Nutrition & Dietetics↗
DOE OSTI2025

Super-Resolution Ptychography with Small Segmented Detectors

To overcome the spatial resolution limit set by aperture-limited diffraction in traditional scanning transmission electron microscopy, microscopists have developed ptychography enabled by iterative phase retrieval algorithms and high-dynamic-range pixel array detectors. Current detector designs are limited by the data rate off chip, so a high-pixel-count detector has a proportionally lower frame rate than the few-segment detectors used for differential phase contrast (DPC) imaging. This slower acquisition speed leads to heightened vulnerability to scan noise, drift, and potential sample damage. This creates opportunities for repurposing fast segmented detectors for ptychography by trading a reduction in reciprocal space pixels for an increase in real space pixels. Here, we explore a strategy of oversampling in real space and instead apply detector pixel upsampling during the reconstruction process. Further, we demonstrate the viability of achieving super-resolution ptychography on thin objects using only 2 × 2 detector pixels, surpassing the resolution of integrated DPC (iDPC) imaging. With optimization using simulated datasets and experiments on MoTe 2 /WSe 2 bilayer moiré superlattices, we achieved super-resolution ptychography reconstructions under rapid acquisition conditions (37.5 pA, 1 μs dwell time), yielding over 50% improvements in contrast and information limit compared to annular dark field and iDPC imaging on the same detectors.

2D materials↗
DOE OSTI2025

Route Energy Prediction (RouteE) Powertrain Validation Report

The National Renewable Energy Laboratory's flagship package in the RouteE suite, RouteE-Powertrain, is a mesoscopic energy model that predicts vehicle energy consumption given discrete attributes that describe each segment or link in a vehicle's path on a road network. High-frequency, physics-based, powertrain simulators, such as NREL's FASTSim, are well-suited to model vehicle energy consumption when real driving data and a detailed understanding of the vehicle powertrain specifications are available. However, there are a variety of situations in the past, present (real-time), and future where high-frequency driving data and/or vehicle information may not be available, but reliable energy consumption is still desired, such as energy-aware vehicle routing. These are the ideal applications for RouteE-Powertrain. The suite of RouteE tools also includes RouteE-Compass, which is an eco-routing software that incorporates energy consumption into network routing algorithms, and RouteE-Mobile, which is a prototype smartphone navigation app to demonstrate the integrated capabilities of the RouteE suite for real-world eco-routing. The focus of this validation report is to share key metrics about the data sets and models behind RouteE-Powertrain. The set of RouteE-Powertrain models discussed in this report are made available through the RouteE web API through the NREL Developer Network.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Dynamical Signatures of Thermotoga maritima Maltose-Binding Proteins Affected by Ligand Binding

Functional segregation among protein isoforms depends on the interplay of their overall structures and the molecular dynamics of these structures. Thermotoga maritima maltose-binding protein (tmMBP) isoforms show size-dependent differential binding of maltose and malto-oligomers while maintaining remarkable fold conservation. This differential behavior needs detailed characterization in native-like aqueous conditions to understand the effects of protein dynamics on ligand binding and recognition. Small-angle neutron scattering (SANS), neutron spin echo (NSE) spectroscopy, and dynamic light scattering (DLS) were used in conjunction with previously published computational molecular dynamics (MD) simulations to understand the dynamic behavior of tmMBPs experimentally. SANS provided information on the overall structure of the molecules, while NSE was used to determine the dynamics in the nanosecond time scale. Both tmMBP2 and tmMBP3 have a bidomain architecture linked with a flexible hinge, with the binding pocket sitting in the cleft between the two domains. tmMBP2 and tmMBP3 showed different solution dynamics, with the translational and rotational components dominating the dynamics of both systems, resulting in a clear differentiation of their diffusion pattern. A faster dynamics component was also observed and was attributed to segmental dynamics. Differences observed between the ligand-free (apo) and ligand-bound (holo) states of the two proteins are attributed to conformational entropy. Our results highlight the intricacies of how structure and dynamics can together shape binding to a repertoire of substrates in structurally similar proteins.

Diffusion↗
DOE OSTI2025

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. We employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science.

2D materials↗
DOE OSTI2025

Describing Point Defect Topology in 2D Energy Materials through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science.

2d materials↗
DOE OSTI2026

A Forward-Looking Dataset of EV Managed Charging Resource and Costs

This presentation summarizes a high-resolution, forward-looking dataset of EV adoption, EV charging, and managed charging resource. Vehicle-level data are grounded in current adoption and charging patterns, and ~200,000 real-world vehicle-weeks of travel data covering all on-road segments (i.e., light-duty, transit and school buses, local, regional and long-haul medium- and heavy-duty). The data, which include multiple charging profiles per vehicle to bound flexibility, are then processed and aggregated to describe baseline charging and charge management resource by county, hour, year, scenario, and vehicle type. Coupled with one of four scenarios of how EV managed charging costs might evolve over time, the dataset enables a power sector capacity expansion model to select cost-optimal quantities of EV managed charging and supply-side resources to reliably satisfy demand. Five integration strategies: Baseline, Daytime and Flat (passive), Flex (active), and Stress (anti-strategy), illustrate how baseline charging and flexibility potential changes with EVSE build-out and charging preferences.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Two-population Rouse models for polymer segmental dynamics in nanocomposites

Segmental dynamics of polymer chains in a model nanocomposite of poly(ethylene oxide) and silica nanoparticles (NPs) was investigated using quasielastic neutron scattering. The dynamics can be accurately described with the Rouse model. The bulklike polymer far from the NP surface behaves as the neat polymer. However, the slower polymer in the interface close to the NP surface is described either with a second Rouse population with different relaxation time or using the suppressed Rouse model. These simple two-population models accurately reproduce the experimental data, with the suppressed Rouse model describing topological constraints, on average, every 12 beads with an interfacial thickness up to 13.5 beads, and the effect of the interface extending to a layer of thickness comparable to the end-to-end distance of the polymer. This modeling provides an explanation for the observed reinforcement in PNC even at low loadings, consistent with current understanding of the relevance of the interphase.

Composite materials↗