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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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1,160 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Building Operation Model (Morpheus) for Dallas Fort Worth Airport (CRADA CRD-19-16301 Final Report)

The primary objective of this project was to leverage digital twin technology to enhance the design and operation of DFW Airport terminals and their associated energy systems. To achieve this, Morpheus, a building digital twin, was developed to guide improvements in airport operations, specifically targeting reductions in peak power demand and overall energy consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

A Kinetic Model of the Long-Term Corrosion of Glass-Ceramic Materials

Multiphase waste forms show promise for increased waste loading and for the ability to dispose of contaminated solid and particulate waste through direct densification. However, achieving predictive capability for long-term durability of multiphase waste forms, and thus assessing their possible deployment, requires expanding the current, limited knowledge base. Here, we describe the development of a corrosion model of a two-phase waste form consisting of crystals of known volume fraction embedded in a glass matrix. This model accounts for the dissolution of both the crystalline and glass phases as well as the hydration of the glass phase through an ion exchange reaction. Because of the large difference in solubility between the two phases, the reactive surface of the crystalline phase is a function of the extent of dissolution of the glass phase in this model. Model parameterization was performed using corrosion data, such as from single-pass flow-through tests, for the individual phases. The parameterized corrosion model was evaluated against static dissolution test data for a glass-ceramic multiphase waste form. This evaluation demonstrated the model’s ability to reproduce the time-dependent release of key tracers of glass and crystalline phase dissolution. Hence, the development of a kinetic model provides a pathway for long-term durability predictions and thus the use of multiphase waste forms in nuclear cleanup missions.

Kerisit, Sebastien N.↗
DOE OSTI2025

Gas-mediated defect engineering in earth-abundant Mn-rich layered oxides for non-aqueous sodium-based batteries

Gases are often by-products of battery materials during cell formation and degradation, affecting the cycle life and safety of rechargeable batteries. However, understanding gas-mediated (electro)-chemical reactions and nanoscale structural transformations during the synthesis of battery electrode materials remains challenging because of the lack of suitable characterization routes and the complexity of the interplay between thermodynamics and kinetics. Here, in this study, we use operando synchrotron X-ray diffraction, in situ transmission X-ray microscopy and multiscale modelling to elucidate the reaction pathways and microstructural defect development of earth-abundant Mn-rich layered oxides as positive electrode materials for sodium-based batteries. In particular, we demonstrate the dominant role of CO 2 over O 2 and H 2 O (g) in modulating the competition between entropy and enthalpy during solid-state synthesis. Using Ni 0.25 Mn 0.75 CO 3 as a model precursor, we reveal that CO 2 generation favours the formation of entropy-driven metastable intermediates, suppresses closed pore/nanovoids formation and decreases chemical heterogeneity and residual lattice strain of Mn-rich layered oxides during the synthesis. This result motivates a fast-sintering strategy to promote CO 2 release, which ultimately leads to improved chemo-mechanical and electrochemical stability of the Mn-rich positive electrodes when tested in non-aqueous Na metal coin cells.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Decarbonized cement blends

Various embodiments include cementitious compositions with low levels of embodied greenhouse gas emissions, in particular carbon dioxide, as a result of its production and/or use compared to conventional cementitious materials, such as portland cement. Various embodiments include any cementitious material or materials with low embodied carbon, as well as any material produced using this cement.

Benck, Jesse D.↗
DOE OSTI2026

Open quantum system approach to inclusive jet production in heavy-ion collisions

We derive a factorization formula for inclusive jet production in heavy-ion collisions using the tools of Effective Field Theory (EFT). We show how physics at widely separated scales in this process can be systematically separated by matching to EFTs at successively lower virtualities. Owing to a strong scale separation, we recover a vacuum-like DGLAP evolution above the jet scale, while the additional low-energy scales induced by the medium effectively probe the internal structure of the jet. As a result, the cross section can be written as a series with an increasing number of subjets characterized by perturbative matching coefficients each of which is convolved with a distinct function. These functions encode broadening, medium-induced radiations as well as quantum interference such as the Landau-Pomeranchuk-Migdal effect and color coherence dynamics to all orders in perturbation theory. As a first application of this EFT framework, we investigate the case of an unresolved jet and show how the cross section can be factorized and fully separate the jet dynamics from the universal physics of the medium. To compare to the existing literature, we explicitly compute the medium jet function at next-to-leading order in the coupling and leading order in medium opacity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Initial Feasibility Assessment and Broader Strategy Development for Fiber Integration via Advanced Manufacturing

Structural health monitoring is critical for ensuring the operational safety and cost-competitiveness of the developing advanced reactor designs. The extreme operational envelopes of these advanced architectures, having operating temperatures ranging 400°C–1,000°C and heightened displacement damage doses, render conventional commercially available piezoelectric transducers and resistive strain gauges unviable. Optical fiber sensors present an attractive solution for advanced radiation-hardened instrumentation due to their high thermal stability and distributed sensing capabilities. However, their deployment in embedded applications can be hindered by the severe thermomechanical strain driven by the coefficient of thermal expansion mismatch between fused silica glass and structural metal alloys like stainless steel (e.g., SS316L).

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Compact Cryogenic Environment for In Situ Neutron Diffraction Under Mechanical Loading

Understanding the deformation mechanisms of materials at cryogenic temperatures is crucial for cryogenic engineering applications. In situ neutron diffraction is a powerful technique for probing such mechanisms under cryogenic conditions. In this study, we present the development of a compact cryogenic environment (CCE) designed to facil-itate in situ neutron diffraction experiments under mechanical loading at tempera-tures as low as 77 K. The CCE features a polystyrene foam cryogenic chamber, alumi-num blocks serving as neutron-transparent cold sinks, a liquid nitrogen dosing system for cryogen delivery, a nitrogen gas flow control system for thermal management, a process controller for temperature control, and a pair of thermally isolated grip adapt-ers for mechanical testing. The CCE achieves reliable temperature control with mini-mal neutron attenuation. Utilizing this setup, we conducted three in situ neutron dif-fraction tensile tests on a 316L stainless steel at 77 , 173 , and 298 K, respectively. The results highlight the pronounced effects of cryogenic temperatures on the material's deformation mechanisms, underscoring both the significance of cryogenic deformation studies and the effectiveness of the CCE.

Yu, Dunji [ORNL] (ORCID:0000000189467851)↗
DOE OSTI2026

Knowledge-guided learning with curated prior genetic biomarkers for robust model interpretation

Abstract Motivation Knowledge-guided learning offers effective and robust model training strategies in data-scarce settings by incorporating established domain knowledge, thereby enhancing generalization, robustness, and interpretability. By contrast, conventional deep learning approaches rely purely on data-driven learning, which can limit robust model interpretability, particularly in high-dimensional settings with limited size samples. In computational biology, knowledge-guided learning has primarily leveraged network- and structural-based knowledge, leading to biologically interpretable representations and enhanced predictive performance compared to conventional approaches. However, curated biomarkers, one of the most accessible forms of biological knowledge, remain largely unexplored within knowledge-guided paradigms. Results In this study, we propose a model-agnostic training paradigm, Biomarker-driven Explainable Prior-guided Learning (BioExPL), that can be applied to any neural networks that incorporates curated prior knowledge. BioExPL enforces neural networks to reflect curated biomarker priors in their latent representations through a novel knowledge-alignment loss. BioExPL consistently demonstrated significantly improved predictive performance and enhanced model interpretability with minimized computational overhead in simulation studies and intensive experiments on multiple cancer datasets. BioExPL not only integrates prior curated knowledge into the model but also accurately identifies unknown associated signals additionally. BioExPL is model-agnostic and domain-independent, enabling its integration into diverse neural network architectures. Availability and implementation The open-source is publicly available at: https://github.com/datax-lab/BioExPL.

Baek, Beomsu [Department of Computer Science, Univ↗
DOE OSTI2026

Demonstration of gold nanorod systems for enhanced total efficiency: Experimental and numerical analysis

This study investigates the photothermal performance of gold nanorods engineered to exhibit longitudinal plasmon resonances at 695 nm, 780 nm, and 970 nm. The work combines synthesis, structural characterization, extinction measurements, numerical modeling, and controlled temperature experiments to quantify how nanorod geometry, resonance tuning, concentration, and chamber shape jointly influence heat generation. Transmission electron microscopy confirms that increasing nanorod aspect ratio systematically shifts the longitudinal plasmon peak toward the near-infrared region. Extinction measurements show strong agreement with theoretical predictions, validating the numerical model across two independent datasets. Three chamber geometries were tested under laser excitation at 640 nm, 808 nm, and 980 nm: an ascending stepped base, a flat base, and a descending stepped base. Without nanorods, the ascending geometry produced the highest efficiency due to enhanced natural convection. After introducing gold nanorods, all geometries exhibited substantial thermal enhancement, with total efficiencies exceeding 20%. The strongest improvement was obtained for nanorods resonant at 780 nm with a mass concentration of 4.6 mg/mL implemented on the descending stepped-base geometry. This performance resulted from the combined effect of spectral overlapping with the 808 nm laser, the highest nanorod concentration, and localized heat accumulation that intensified buoyancy-driven flow. The findings demonstrate that total efficiency is governed by a synergistic interplay between optical resonance, nanoparticle concentration, and macroscopic chamber design, revealing the system-level coupling between nanoscale plasmonic absorption and macroscale heat-transfer phenomena. The results provide a validated framework for tuning nanoscale plasmonic absorbers and optimizing thermal systems for applications requiring efficient light-to-heat conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Experimental observation and integrated modelling of proton-beryllium fusion in He and D plasmas at JET

Validated integrated modelling of JET ITER-like wall experiments in which fusion performance is driven by reactions between fast ions and intrinsically present metal wall impurities is presented. A steady-state L-mode plasma with dominant proton-beryllium fusion and neutron yields of up to ≈ 6·10 13 s -1 is developed in He and D, via radiofrequency heating of a H minority. The fusion drive is unambiguously confirmed by the neutral particle analyser, fast ion loss detector, and γ-ray diagnostics. Experiments are analysed via an integrated modelling framework, developed to model the two-stage proton beryllium-fusion chain and produce high-fidelity fusion product source terms. The modelling chain comprises TRANSP and JETTO for plasma core modelling, LOCUST for full orbit product tracking and collisional slowing-down, DRESS to resolve two- and three-body fusion kinematics, and MCNP for neutron transport calculations. Modelling shows that the primary 9 Be(p,n) 9 B reaction is the dominant neutron emitter at naturally present concentrations of beryllium in these experiments. The yield contribution of secondary reactions between fusion products and beryllium, 9 Be(d,n) 10 B and 9 Be(α,n) 12 C, is found to be negligible. The proton-deuteron knock-on effect in D plasmas is modelled, which is calculated to contribute ≈ 25% to the total neutron yield. For both He and D discharges the total computed neutron rates match fission chamber (FC) measurements within the combined experimental and computational uncertainty, with an average discrepancy of ≈ ± 20%. Realistic proton-beryllium neutron sources are propagated through JET’s MCNP neutron transport model which shows that 235 U FCs’ response is sensitive to p–Be source changes, with up to ≈ 10% variation compared to a D–D neutron source. We show that the high-energy tail of the fast proton minority can be studied with multi-foil neutron activation. The framework is also applied to the study of interactions between fast protons and boron impurities, of relevance to ITER. We calculate that in JET conditions a significant alpha source with DT-like energies could be generated through 11 B(p, α)2α fusion, and detected via γ-emission in secondary interactions between fast alphas and boron. The work represents an important step towards validating predictive integrated modelling capabilities for non-standard fusion reactions.

JET↗
DOE OSTI2025

High-Intensity UV Exposure for the Rapid Screening of Silicon Photovoltaic Architectures

Advanced Si photovoltaic architectures incorporate different materials and processing pathways that influence degradation modes. Ultraviolet-induced degradation (UVID) is an understudied degradation mode for advanced cell architectures and is of increasing concern to industry due to growing adoption of UV-transparent encapsulation and bifacial technologies. In order to adopt new and evolving technologies confidently, novel component materials and processing techniques must be evaluated and designed for long-term stability, in addition to the conventional design focus on efficiency. In this work, a study protocol framework is presented for the rapid screening of unencapsulated devices against UVID. Unencapsulated passivated emitter rear contact (PERC) and tunnel oxide passivated contact (TOPCon) devices were aged under different UV irradiance intensities and measured via conventional nondestructive electrical characterization methods to assess performance degradation. Based on the results, protocol efficacy and recommendations for further study are discussed. As a result, this work is part of a broader effort to develop rapid screening processes that cut across architectures and exposure conditions to aid module manufacturers in vetting new materials choices for long-term stability.

Accelerated exposure↗
DOE OSTI2026

Enhanced Catalytic Dechlorination of Polyvinyl Chloride (PVC) and H2 Production Enabled by Synergistic Gaδ+/Ga0 Active Sites in Liquid Metal Particles

Polyvinyl chloride (PVC) is ubiquitous yet challenging to recycle due to its tendency to thermally decompose above 250 °C, releasing toxic, corrosive chlorinated compounds, and its inability to melt. Here, we report a catalytic strategy for PVC upcycling at 160 °C using gallium liquid metal particles (Ga-LMP) featuring a dynamic Ga-GaOOH core–shell architecture. These catalysts enable concurrent dechlorination and hydrogen evolution, yielding up to 7% H2 (based on initial hydrogen atoms in PVC) along with a highly dechlorinated (>95%) carbonaceous solid and aqueous HCl. Mechanistic investigations combining X-ray photoelectron spectroscopy, infrared spectroscopy, solid-state NMR, inelastic neutron scattering, and ab initio molecular dynamics reveal a synergistic interplay between Gaδ+ sites in the GaOOH shell and metallic Ga0 in the core. Cationic Ga initiates C–Cl bond activation and HCl formation, while progressive reduction of the shell exposes Ga0 sites that promote C–H activation and H2 evolution. Control experiments with a Ga salt and bulk Ga liquid metal confirmed that neither oxidation state alone can achieve both transformations efficiently. This work establishes a dynamic dual-site paradigm for liquid metal catalysis, in which the in situ evolution and coexistence of oxidized and metallic species enable sequential and cooperative bond activation pathways. These findings provide a general design principle for novel liquid metal catalysts that target challenging polymer transformations under mild conditions.

Zingg, Benjamin [ORNL] (ORCID:0009000914530153)↗
DOE OSTI2026

Power performance and loads characterization of laboratory-scale cross-flow rotors fabricated using additive manufacturing

Tidal energy conversion is a relatively new application for additive manufacturing (AM), where the focus has been on fabricating axial-flow turbine blades. AM techniques add material precisely where it is needed, creating more complex shapes with less waste. Cross-flow rotor geometry presents an opportunity for AM to improve rotor performance by fabricating features that cannot be created economically via conventional manufacturing. The challenges associated with using AM in cross-flow design include water resistance and degradation over time while retaining a level of quality equivalent to conventionally machined parts. In this work, AM materials were tested by environmentally conditioning samples in a seawater tank for 5 months, followed by performance and phase-resolved load testing of laboratory-scale rotors in a hydraulic flume. We found that while metals like titanium and Inconel have excellent performance in marine environments, achieving the desired geometry and performance is difficult. Thermoplastics degraded in seawater but were easier to form into desired geometries and could exceed the performance of an aluminum control rotor. Warping and surface finish were significant detractors from AM rotor performance. These results suggest that the primary benefits of using AM for cross-flow rotors is to quickly fabricate and test unconventional rotor geometries.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

AutoSourceID-Classifier: Star-galaxy classification using a convolutional neural network with spatial information

Aims.Traditional star-galaxy classification techniques often rely on feature estimation from catalogs, a process susceptible to introducing inaccuracies, thereby potentially jeopardizing the classification’s reliability. Certain galaxies, especially those not manifesting as extended sources, can be misclassified when their shape parameters and flux solely drive the inference. We aim to create a robust and accurate classification network for identifying stars and galaxies directly from astronomical images. Methods.The AutoSourceID-Classifier (ASID-C) algorithm developed for this work uses 32x32 pixel single filter band source cutouts generated by the previously developed AutoSourceID-Light (ASID-L) code. By leveraging convolutional neural networks (CNN) and additional information about the source position within the full-field image, ASID-C aims to accurately classify all stars and galaxies within a survey. Subsequently, we employed a modified Platt scaling calibration for the output of the CNN, ensuring that the derived probabilities were effectively calibrated, delivering precise and reliable results. Results.We show that ASID-C, trained on MeerLICHT telescope images and using the Dark Energy Camera Legacy Survey (DECaLS) morphological classification, is a robust classifier and outperforms similar codes such as SourceExtractor. To facilitate a rigorous comparison, we also trained an eXtreme Gradient Boosting (XGBoost) model on tabular features extracted by SourceExtractor. While this XGBoost model approaches ASID-C in performance metrics, it does not offer the computational efficiency and reduced error propagation inherent in ASID-C’s direct image-based classification approach. ASID-C excels in low signal-to-noise ratio and crowded scenarios, potentially aiding in transient host identification and advancing deep-sky astronomy.

Astronomy & Astrophysics↗
DOE OSTI2024

Photoelectrochemical Proton-Coupled Electron Transfer of TiO 2 Thin Films on Silicon

TiO 2 thin films are often used as protective layers on semiconductors for applications in photovoltaics, molecule–semiconductor hybrid photoelectrodes, and more. Experiments reported here show that TiO 2 thin films on silicon are electrochemically and photoelectrochemically reduced in buffered acetonitrile at potentials relevant to photoelectrocatalysis of CO 2 reduction, N 2 reduction, and H 2 evolution. On both n-type Si and irradiated p-type Si, TiO 2 reduction is proton-coupled with a 1e – :1H + stoichiometry, as demonstrated by the Nernstian dependence of the Ti 4+/3+ E 1/2 on the buffer pK a . Experiments were conducted with and without illumination, and a photovoltage of ∼0.6 V was observed across 20 orders of magnitude in proton activity. The 4 nm films are almost stoichiometrically reduced under mild conditions. The reduced films catalytically transfer protons and electrons to hydrogen atom acceptors, based on cyclic voltammogram, bulk electrolysis, and other mechanistic evidence. TiO 2 /Si thus has the potential to photoelectrochemically generate high-energy H atom carriers. Characterization of the TiO 2 films after reduction reveals restructuring with the formation of islands, rendering TiO 2 films as a potentially poor choice as protecting films or catalyst supports under reducing and protic conditions. Altogether, this work demonstrates that atomic layer deposition TiO 2 films on silicon photoelectrodes undergo both chemical and morphological changes upon application of potentials only modestly negative of RHE in these media. While the results should serve as a cautionary tale for researchers aiming to immobilize molecular monolayers on “protective” metal oxides, the robust proton-coupled electron transfer reactivity of the films introduces opportunities for the photoelectrochemical generation of reactive charge-carrying mediators.

Electrodes↗
DOE OSTI2025

Thermo-Mechanical Phase-Field Modeling of Fracture in High-Burnup UO2 Fuels Under Transient Conditions

This study presents a novel multiphysics phase-field fracture model to analyze high-burnup uranium dioxide (UO2) fuel behavior under transient reactor conditions. Fracture is treated as a stochastic phase transition, which inherently accounts for the random microstructural effects that lead to variations in the value of fracture strength. Moreover, the model takes into consideration the effects of temperature and burnup on thermal conductivity. Therefore, the model is able to predict crack initiation, propagation, and complex morphologies in response to thermal gradients and stress distributions. Several simulations were conducted to investigate the effects of operational and transient conditions on fracture behavior and the resulting cracking patterns. High-burnup fuels exhibit reduced thermal conductivity, elevating temperature gradients and resulting in extensive radial and circumferential cracks. Transient heating rates and temperatures significantly affect fracture patterns, with higher heating rates generating steeper gradients and more irregular crack trajectories. This approach provides critical insights into fuel integrity during accident scenarios and supports the safety evaluation of extended burnup limits.

Chemistry↗
DOE OSTI2023

A Self‐Healing System for Polydicyclopentadiene Thermosets

Self-healing offers promise for addressing structural failures, increasing lifespan, and improving durability in polymeric materials. Implementing self-healing in thermoset polymers faces significant manufacturing challenges, especially due to the elevated temperature requirements of thermoset processing. To introduce self-healing into structural thermosets, the self-healing system must be thermally stable and compatible with the thermoset chemistry. This article demonstrates a self-healing microcapsule-based system stable to frontal polymerization (FP), a rapid and energy-efficient manufacturing process with a self-propagating exothermic reaction (≈200 °C). A thermally latent Grubbs-type complex bearing two N-heterocyclic carbene ligands addresses limitations in conventional G2-based self-healing approaches. Under FP's elevated temperatures, the catalyst remains dormant until activated by a Cu(I) co-reagent, ensuring efficient polymerization of the dicyclopentadiene (DCPD) upon damage to the polyDCPD matrix. The two-part microcapsule system consists of one capsule containing the thermally latent Grubbs-type catalyst dissolved in the solvent, and another capsule containing a Cu(I) coagent blended with liquid DCPD monomer. Using the same chemistry for both matrix fabrication and healing results in strong interfaces as demonstrated by lap-shear tests. In an optimized system, the self-healing system restores the mechanical properties of the tough polyDCPD thermoset. Self-healing efficiencies greater than 90% via tapered double cantilever beam tests are observed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Adapter Signaling Evaluations on EVs [Slides]

In case J3400 and J3400/1 define a basic analog signaling approach for DC charging adapters to communicate over-temperature events to both the EV and EVSE. They also require the EV to implement mitigation and corrective actions in cases where the EVSE does not respond to adapter thermal signals. In this study, multiple production vehicles were evaluated for responsiveness to assess field readiness and ensure consistent performance in accordance with the SAE J1772, J3400 and J3400/1 standards. A series of test cases were developed and executed across different vehicles, using an adapter thermal breakout fixture designed by NLR for evaluations. The results revealed notable variations in behavior: some vehicles expected to comply with J1772 were found to be non-responsive under certain conditions. Additionally, while some EV OEMs appear to align with the J3400 standard, discrepancies exist due to its evolving nature, resulting in inconsistent implementation of the latest requirements. These findings highlight the need for alignment within standards organizations to ensure consistent interpretation, encourage compliance, and reduce potential confusion across implementations.

33 ADVANCED PROPULSION SYSTEMS↗