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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Polarized neutron measurements of the internal magnetization of a ferrimagnet across its compensation temperature

We present the first polarized neutron transmission image of a model Néel ferrimagnetic material, polycrystalline terbium iron garnet (Tb 3 Fe 5 O 12 , TbIG for short), as it is taken through its compensation temperature T comp where the macroscopic magnetization vanishes. Our polarized neutron imaging data and the additional supporting measurements using neutron spin echo spectroscopy and SQUID magnetometry are all consistent with a vanishing internal magnetization at T comp .

Ferrimagnetism↗
DOE OSTI2024

International fuel performance study of fresh fuel experiments for PCMI effects during RIA experiments

This paper presents the results of High-burnup Experiments for Reactivity-initiated Accident (HERA) Modeling & Simulation (M&S) exercise. The HERA project under the Nuclear Energy Agency (NEA) Second Framework for Irradiation Experiments (FIDES-II) program is focused on studying Light Water Reactor (LWR) fuel behavior during Reactivity-Initiated Accident (RIA) conditions. The Part I M&S cases are based on a series of tests in the Transient Reactor Test (TREAT) facility in the United States and the Nuclear Safety Research Reactor (NSRR) in Japan. The purpose of this work is to evaluate the test design to accomplish its goals in establishing clearer understanding of the effects of power pulse width during RIA conditions. Further, the blind predictions using various computational tools have been performed and compared amongst to interpret the behaviors of high burnup fuels during RIA. While many international participants evaluate the thermal–mechanical behavior of fuel rod under different conditions, a considerable scatter of outputs comes out for the cases due to the disparity between codes in predicting mechanical behaviors. In general, however, the results of thermal–mechanical analysis elaborate that nominal design conditions the shorter pulse width tests in NSRR should cause cladding failures while the TREAT tests appear to have more split prediction of failure or not. Furthermore, the sensitivity analysis varying key testing parameters reveals the considerable effect of power pulse width and total energy deposition on prediction of fuel rod failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Hydrokinetic tidal energy resource assessment following international electrotechnical commission guidelines

Marine renewable energy can be used as a viable energy source to alleviate the impact of the climate crisis and have a carbon-free electricity sector in the future. Especially the energetic tidal streams are an attractive source of clean energy due to the periodic occurrence of high tidal flows daily. However, before any deployment of tidal turbine farms, it is essential to perform a resource assessment depending on the scope and scale of the project. Here, the International Electrotechnical Commission has developed a technical standard for assessing the tidal stream resource "IEC 62600-201 TS" to aid in this effort: determine a particular site's feasibility and perform the project layout design. In this study, we implemented and validated a high-resolution three-dimensional numerical model and provided results following the IEC TS for a project layout design in a highly energetic tidal channel, Tacoma Narrows of Puget Sound, in the State of Washington, USA. Implementation of the guidelines has helped adequately identify the undisturbed theoretical and technical resources with less bias, where the latter included energy extraction from the flow field arranging a hypothetical tidal energy converter (TEC) array. Also, following the standard, we carefully assessed the changes to channel flow properties from TECs, such as the kinetic energy flux and annual energy production (AEP), to provide the detailed information required for a larger project layout design. Ultimately, this work has shown the important role of IEC TS in tidal stream resource assessment, which can simultaneously act as a benchmark for other studies worldwide.

13 HYDRO ENERGY↗
DOE OSTI2024

Proceedings of the 2024 Advancing Chemical Safety and Security Education Symposium at the 27th IUPAC International Conference on Chemistry Education

The inaugural Advancing Chemical Safety and Security Education symposium was held at the 27th IUPAC International Conference on Chemistry Education (ICCE2024). Speakers showcased innovative strategies for seamlessly integrating security concepts into established safety programs, addressing specific needs of diverse academic institutions, and evaluating the effectiveness of different pedagogical approaches. Here, this proceedings publication encapsulates insights from 11 oral presentations, 12 poster presentations, and panel discussions including key recommendations for future advancements in educating chemical safety and security education for academic and industry audiences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Estimating the Benefits of Sustainable Aviation Fuel Usage at Chicago O’Hare International Airport on Ultrafine Particle Exposure and Mortalities Reductions

The expanding commercial aviation sector necessitates diverse energy sources, and sustainable aviation fuels (SAFs) have emerged as a promising option. Widespread SAF adoption can help meet transportation fuel demand and offer health benefits for people residing near airports or along airport landing and takeoff (LTO) pathways, where elevated levels of aircraft-derived air pollution often exist. Blending SAF with traditional jet fuels can reduce ultrafine particle (UFP) emissions, which may improve health of near airport population. We analyzed a population of about 8 million people in 1925 census tracts around the Chicago O’Hare International Airport (ORD). We conducted a risk assessment to estimate anticipated UFP reductions for three adoption scenarios using blends of traditional jet fuels with 5, 25, and 50% SAF across all flights landing and taking off from ORD. We calculated baseline estimates of UFP emissions using ORD flight data, a dispersion model, and a calibration function derived from mobile monitoring data. We used this baseline UFP emission profile across the study area to estimate population-weighted UFP, as well as the attributable case reductions (ACRs) and attributable mortality rate reductions (AMRRs) across the demographic distribution around the airport, based on the SAF blending scenarios. We found a positive association of SAF blending with UFP reductions, particularly near the airport and along LTO flight pathways. Our study showed that the population-weighted UFP across different demographics was similar. ACRs were largely dependent on individual demographic populations, while AMRRs for all populations were relatively similar, with an estimated 0.3 (95% range: 0.2−0.3), 1.1 (0.9−1.4), and 1.8 (1.5−2.2) fewer mortalities per 100,000 people per year expected with the adoption of 5, 25, and 50% SAF blends, respectively. This study indicates that communities near ORD, across a range of demographics, may benefit similarly from SAF adoption, thus highlighting how SAF adoption may offer an opportunity to improve health outcomes like aviation UFP-related mortalities around airports.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Reducing Thermal Degradation of Perovskite Solar Cells during Vacuum Lamination by Internal Diffusion Barriers

Current photovoltaic (PV) panels typically contain interconnected solar cells that are vacuum laminated with a polymer encapsulant between two pieces of glass or glass with a polymer backsheet. This packaging approach is ubiquitous in conventional photovoltaic technologies such as silicon and thinfilm solar modules, contributing to thermal management, mechanical reinforcement, and environmental protection to enable the long lifetimes necessary to become financially acceptable. Commercial vacuum lamination processes typically occur at 150 °C to ensure cross-linking and/or glass bonding of the encapsulant to the glass and PV cells. Perovskite solar cells (PSCs) have emerged as a promising next-generation PV technology that is known to degrade under thermal stresses, especially at temperatures above 100 °C. In this study, we determine degradation modes during lamination and engineer internal diffusion barriers within the PSC to withstand the harsh thermal conditions of vacuum lamination. PSCs with self-assembled monolayers at the ITO interface and SnO X layers deposited by atomic layer deposition at the electron extraction side of the device endured vacuum lamination at conditions typical of commercial PV processes (150 °C) without degradation. This work demonstrates that perovskite PV can be integrated into the existing module lamination process, enabling future single- and multijunction modules utilizing perovskite absorbers.

14 SOLAR ENERGY↗
DOE OSTI2026

Reducing Internal Resistance in Activated Carbon Supercapacitors via Exfoliated Coal-Derived Graphene Additive

Low equivalent series resistance (ESR) is critical for high-rate energy storage devices (e.g., supercapacitors), and graphene is a promising additive for reducing ESR in carbon-based supercapacitor electrodes. However, graphene can be costly and difficult to produce at scale. This study investigates the addition of graphene, produced through electrochemical exfoliation of domestic coal-derived graphite, in activated carbon-based supercapacitors. The coal-derived graphene was incorporated at varying weight loadings and tested in symmetric supercapacitors with aqueous electrolytes. ESR was evaluated using both direct current internal resistance (DCIR) and electrochemical impedance spectroscopy (EIS) measurements. DCIR measurements revealed ESR reductions of ∼34%, ∼18%, and ∼21% at 3, 5, and 10 wt % loadings, respectively, compared to the baseline (0 wt %) of ∼0.54 Ω. These results were further confirmed by EIS measurements. Correspondingly, power density increased by ∼52%, ∼27%, and ∼35% at 3, 5, and 10 wt % loadings relative to the baseline (∼29 kW/kg). Additionally, the electrodes exhibited moderate increases in specific capacitance and energy density, along with stable cycling performance (capacitance retention above 85% after 100,000 cycles) and capacitive behavior (α = 0.95−0.97), suggesting favorable charge transfer kinetics. These findings highlight the potential of exfoliated coal-derived graphene as an effective additive for supercapacitor electrodes.

capacitors↗
DOE OSTI2026

N 2 O Formation Mechanism and Suppression Strategy on Pt Catalysts for NO x Removal from Hydrogen-Internal Combustion Engines

Pt-based catalysts exhibit excellent low-temperature activity in the selective catalytic reduction of NO x with H 2 (H 2 -SCR), but their tendency to form N 2 O poses a significant challenge for practical use. This issue is further complicated by unclear formation mechanisms, hindering the development of more efficient catalysts. This study explored the N 2 O generation mechanisms on Pt catalysts supported by MgO, Al 2 O 3 , SiO 2 , and TiO 2 , aiming to achieve a deep understanding that could advance the Pt catalysts with high NO x conversion and minimized N 2 O emissions. Through systematic kinetics and characterization analyses, the direct influence of the support acidity and reactant dynamics (O 2 and NO) on N 2 O formation was clearly revealed. Notably, the Pt catalysts with strong NO adsorption capacity showed reduced N 2 O generation, highlighting the critical role of NO adsorption sites in the H 2 -SCR process. By incorporation of NO adsorption sites (i.e., MgO, BaO, CeO 2 ) onto Pt/SiO 2 , both the H 2 -SCR efficiency and N 2 selectivity (reduced N 2 O selectivity) were significantly enhanced, effectively reducing the N 2 O emissions through optimized surface NO adsorption. These findings provide a design framework for more selective Pt-based catalysts, advancing H 2 -SCR systems for effective NO x abatement from hydrogen-internal combustion engines, which is a promising carbon-free transportation technology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A unified realization of electrical quantities from the quantum International System of Units

In the revised International System of Units (SI), the ohm and the volt are realized from the von Klitzing constant and the Josephson constant, and a practical realization of the ampere is possible by applying Ohm’s law directly to the quantum Hall and Josephson effects. As a result, it is possible to create an instrument capable of realizing all three primary electrical units, but the development of such a system remains challenging. Here, in this study, we report a unified realization of the volt, ohm and ampere by integrating a quantum anomalous Hall resistor (QAHR) and a programmable Josephson voltage standard (PJVS) in a single cryostat. Our system has a quantum voltage output that ranges from 0.24 mV to 6.5 mV with combined relative uncertainties down to 3 μV V −1 . The QAHR provides a realization of the ohm at zero magnetic field with uncertainties near 1 μΩ Ω −1 . We use the QAHR to convert a longitudinal current to a quantized Hall voltage and then directly compare that against the PJVS to realize the ampere. We determine currents in the range of 9.33–252 nA, and our lowest uncertainty is 4.3 μA A −1 at 83.9 nA. For other current values, a systematic error that ranges from −10 μA A −1 to −30 μA A −1 is present due to the imperfect isolation of the PJVS microwave bias.

Quantum metrology↗
DOE OSTI2026

ALS mutations disrupt self-association between the ubiquilin STI1 hydrophobic groove and internal placeholder sequences

Ubiquilins are molecular chaperones that play multifaceted roles in proteostasis, with point mutations in UBQLN2 leading to altered phase-separation properties and amyotrophic lateral sclerosis (ALS). Our mechanistic understanding of this essential process has been hindered by a lack of structural information on the STI1 domain, which is essential for ubiquilin chaperone activity and phase separation. Here, we present the first crystal structure of a ubiquilin-family STI1 domain bound to a transmembrane domain (TMD), and show that ALS mutations disrupt the STI1-TMD interaction. We further demonstrate that ubiquilins contain multiple conserved internal sequences that bind to the STI1 domain, including the PXX-repeat region that is a hotspot for ALS mutations. We propose that these placeholder sequences prevent solvent exposure of the STI1 hydrophobic groove and contribute to the multivalency that drives ubiquilin phase-separation. Together, this work provides a new paradigm for understanding how STI1 domains modulate ubiquilin chaperone activity and phase separation, and offers insights into the molecular basis of ALS pathogenesis.

Onwunma, Joan [Univ. of Toledo, OH (United States)↗
DOE OSTI2025

Influence of substitution pattern on the dynamics of internal conversion and intersystem crossing in thiopyridone isomers

We report a combined experimental and theoretical investigation of the ultrafast internal conversion (IC) and intersystem crossing (ISC) dynamics of two thiopyridone (TP) isomers in solution. Our study used ultrafast transient X-ray absorption spectroscopy (XAS) at the sulfur K-edge, in conjunction with electronic excited state surface hopping molecular dynamics and simulations of the excited state XAS, to investigate the impact of the functional group substitution pattern and solvent on the dynamics of IC and ISC. The combination of the localized X-ray probe and the simulation results enables, in part, the differentiation between ππ* and nπ* character excited states, as well as singlet and triplet states. Access to nπ* character excitations has particular value since they often prove challenging to assess with optical spectroscopy. For 2-TP, the photoexcited S 2 (ππ*) state rapidly undergoes IC to the S 1 (nπ*) state below the instrument response time, followed by ISC to the T 1 (ππ*) state on a timescale of 600 fs in acetonitrile. For 4-TP, the timescale of S 2 to S 1 IC increases to 330 fs and the timescale of ISC increases to more than 10 ps. The differences between isomers are rationalized by considering the key role of the, nπ* intermediates in mediating the intersystem crossing of these systems. Varying the substitution pattern of the molecule can stabilize or destabilize these intermediates leading to the increase in ISC rate in the ortho isomer as compared to the para isomer, while changing the solvent from acetonitrile to water had minimal effect on the electronic excited state relaxation mechanism.

Garratt, Douglas [SLAC National Accelerator Labora↗
DOE OSTI2024

The first high-redshift cavity power measurements of cool-core galaxy clusters with the International LOFAR Telescope

Radio-mode feedback associated with the active galactic nuclei (AGNs) at the cores of galaxy clusters injects a large amount of energy into the intracluster medium (ICM), offsetting radiative losses through X-ray emission. This mechanism prevents the ICM from rapidly cooling down and fueling extreme starburst activity as it accretes onto the central galaxies, and it is therefore a key ingredient in the evolution of galaxy clusters. However, the influence and mode of feedback at high redshifts (z ∼ 1) remains largely unknown. Low-frequency sub-arcsecond-resolution radio observations taken with the International LOFAR Telescope have demonstrated their ability to assist X-ray observations with constraining the energy output from the AGNs (or “cavity power”) in galaxy clusters, thereby enabling research at higher redshifts than before. In this pilot project, we tested this hybrid method on a high-redshift (0.6 < z < 1.3) sample of 13 galaxy clusters for the first time with the aim of verifying the performance of this method at these redshifts and providing the first estimates of the cavity power associated with the central AGN for a sample of distant clusters. We were able to detect clear radio lobes in three out of 13 galaxy clusters at redshifts of 0.7 < z < 0.9, and we used these detections in combination with ICM pressures surrounding the radio lobes obtained from standard profiles to calculate the corresponding cavity powers of the AGNs. Combining our results with the literature, the current data appear to suggest that the average cavity power peaked at a redshift ofz ∼ 0.4 and slowly decreases toward higher redshifts. However, we require more and tighter constraints on the cavity volume and a better understanding of our observational systematics to confirm any deviation of the cavity power trend from a constant level.

Astronomy & Astrophysics↗
DOE OSTI2024

Internal measurements of electromagnetic geodesic acoustic mode (GAM) in EAST plasmas

Velocity, density, and magnetic fluctuations of the geodesic acoustic mode (GAM) have been measured using the Doppler backscattering system, Faraday-effect polarimeter-interferometer, and external pick-up coils in the Experimental Advanced Superconducting Tokamak. Simultaneous measurements of density and velocity fluctuations at the midplane and top of plasmas demonstrate that m = 1 density fluctuations are quantitatively balanced by the compression of perpendicular flow fluctuations. Furthermore, internal magnetic fluctuations associated with GAM have now been directly measured by laser-based Faraday-effect polarimetry for the first time. Line-averaged magnetic fluctuations (up to 16 Gauss, B̃¯R,GAMBT∼0.066%) are significantly larger than those extrapolated from edge coils (a few Gauss) and that magnetic fluctuations increase with β. The observed discrepancy between finite β theory and experimental data indicates the need for further theoretical investigations.

Physics↗
DOE OSTI2025

Improved internal short circuit models for thermal runaway simulations in lithium-ion batteries

Thermal runaway (TR) modeling is one of the primary tools that can be used to overcome challenges associated with lithium-ion battery (LIB) safety. Among all LIB accidents that have occurred over the past decade, Internal Short Circuit (ISC) remains the most common trigger mechanism. Many available models in the literature either use a simplified approach to simulate ISC or completely ignore its contribution. The aim of this study is to understand the nature of the heat released for different types of ISC scenarios, including aluminum-anode, anode–cathode, and copper-cathode ISC. We study ISC behavior using a coupled electrochemical–thermal model with an integrated TR chemical kinetics solver built in the COMSOL Multiphysics framework. The time duration of heat release and the magnitude of the peak ISC current are studied as functions of parameters such as the size of the penetrating filament and the capacity of the cell. The numerical results are used to build an empirical model validated against the published experimental TR propagation data. Our model can be successfully used as a viable low-cost substitute in lower order (lumped) TR simulations to enable TR prevention and mitigation.

Singh, Bakhshish Preet (ORCID:0000000264751992)↗
DOE OSTI2025

Equation-of-motion internally contracted multireference unitary coupled-cluster theory

The accurate computation of excited states remains a challenge in electronic structure theory, especially for systems with a ground state that requires a multireference treatment. In this work, we introduce a novel equation-of-motion (EOM) extension of the internally contracted multireference unitary coupled-cluster framework (ic-MRUCC), termed EOM-ic-MRUCC. EOM-ic-MRUCC follows the transform-then-diagonalize approach, in analogy to its non-unitary counterpart. By employing a projective approach to optimize the ground state, the method retains additive separability and proper scaling with system size. We show that excitation energies are size-intensive if the EOM operator satisfies the “killer” and the projective conditions. Furthermore, we propose to represent changes in the reference state upon electron excitation via projected many-body operators that span the active orbitals and show that the EOM equations formulated in this way are invariant with respect to active orbital rotations. We test the EOM-ic-MRUCC method truncated to single and double excitations by computing the potential energy curves for several excited states of a BeH2 model system, the HF molecule, and water undergoing symmetric dissociation. Across these systems, our method delivers accurate excitation energies and potential energy curves within 5 mE h (∼0.14 eV) from full configuration interaction. Here, we find that truncating the Baker–Campbell–Hausdorff series to fourfold commutators contributes negligible errors (on the order of 10 −5 E h or less), offering a practical route to highly accurate excited-state calculations with reduced computational overhead.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Modeling fast ion losses due to tearing and internal kink perturbations in MAST-U

Fast ion (FI) loss properties in the presence of tearing mode and internal kink perturbations are numerically investigated for discharges in the MAST-U spherical tokamak, utilizing the MARS-F magnetohydrodynamic stability code and the REORBIT test particle guiding-center orbit-following module. Here, tracing about 100 000 particle markers sampled from the equilibrium distribution of the neutral-beam injection induced FIs, it is found that about 10% out of the total strike the limiting surface (including the divertor surface) in MAST-U discharge 46943, assuming a maximum perturbation of 100 G inside the plasma (corresponding to ~6 G at the Mirnov probe location at the outboard mid-plane). Detailed particle tracing, assuming a uniform initial distribution in the 2D phase space (at given radial locations), reveals that initially counter-current FIs launched near the plasma edge are subject to significant prompt losses, while almost all initially co-current ions remain well confined at the assumed perturbation level. Most lost FIs strike the lower-half of the limiting surface. Finite gyro-radius effects prevent lost ions from striking the top-outer corner of the super-X divertor chamber. A scan of the perturbation level (based on discharge 45163) reveals, not surprisingly, an approximately linear scaling of the particle loss fraction (for counter-current FIs) with respect to the perturbation amplitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗