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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Demonstration of the Blending of the H-Canyon 2nd U Cycle with Natural U to Produce a HALEU Solution

Continued growth in the demand for high assay low enriched uranium (HALEU) is projected to support the conversion of US high performance research reactors from high to low enrichment and the development and deployment of a new generation of advanced reactors. Current options to meet the growing US need for HALEU include (1) blend-down of excess of highly enriched uranium (HEU) from the nuclear weapons programs, (2) blend-down of HEU metal from other stockpiles, or (3) recycle of irradiated HEU recovered from spent nuclear fuel (SNF). The recycle of HEU from SNF has been performed at the Savannah River Site (SRS) H-Canyon facility for nearly two decades to produce 4.95 wt % U-235 for sale and subsequent use in fuel for Tennessee Valley Authority (TVA) reactors. The HALEU produced in H-Canyon will not exceed the U-236 concentration limit in the ASTM C1462 standard for U metal enriched to more than 15% and less than 20% U-235, which applies to advanced reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

The Squeezed Bispectrum from CHIME H I Emission and Planck Cosmic Microwave Background Lensing: Current Sensitivity and Forecasts

Line intensity mapping using atomic hydrogen (H I) has the potential to efficiently map large volumes of the Universe if the signal can be successfully separated from overwhelmingly bright radio foreground emission. This motivates cross correlations, to ascertain the cosmological nature of measured H I fluctuations, and to study their connections with galaxies and the underlying matter density field. However, these same foregrounds render the cross correlation with projected fields such as the lensing of the cosmic microwave background (CMB) difficult. Indeed, the correlated Fourier modes vary slowly along the line of sight and are thus most contaminated by the smooth-spectrum radio continuum foregrounds. In this paper, we implement a method that avoids this issue by attempting to measure the nonlinear gravitational coupling of the small-scale 21 cm power from the Canadian Hydrogen Intensity Mapping Experiment (CHIME) with large-scale Planck CMB lensing. This measurement is a position-dependent power spectrum, i.e., a squeezed integrated bispectrum. Using 94 nights of CHIME data between 1.0 < z < 1.3 and aggressive foreground filtering, we find that the expected signal is 5 times smaller than the current noise. We forecast that incorporating the additional nights of CHIME data already collected would enable a signal-to-noise ratio of 3, without any further improvements in filtering for foreground cleaning.

21cm↗
DOE OSTI2023

Photoionization from the Ground and Excited Vibrational States of H$^+_2$ and Its Deuterated Isotopologues

Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1sσ g state of H$^+_2$, HD+, and D$^+_2$. The Born–Oppenheimer approximation is employed in our calculation of vibrationally resolved photoionization cross sections. Vibrationally resolved and local thermal equilibrium photoionization rate coefficients are presented for photon temperatures less than 50,000 K and are found to be several orders of magnitude larger than previous results in the literature. Analytic fits for the vibrationally resolved and local thermal equilibrium photoionization rate coefficients are provided. Near-threshold oscillations in the vibrationally resolved photoionization are observed. A benchmark set of photoionization cross sections are presented. Fixed-nuclei photoionization cross sections are calculated using two-center true continuum wave functions and are verified by comparison with previous calculations and are found to be in excellent agreement in all cases. Data files for our set of benchmark cross sections, rate coefficients, and fitting parameters for H$^+_2$, HD + , and D$^+_2$ are available on Zenodo under an open-source Creative Commons Attribution license at doi:10.5281/zenodo.8304061.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Measurement of the Higgs boson mass with H → γγ decays in 140 fb –1 of $\sqrt{s}$ = 13 TeV pp collisions with the ATLAS detector

The mass of the Higgs boson is measured in the H→γγ decay channel, exploiting the high resolution of the invariant mass of photon pairs reconstructed from the decays of Higgs bosons produced in proton–proton collisions at a centre-of-mass energy $\sqrt{s}$ = 13 TeV. The dataset was collected between 2015 and 2018 by the ATLAS detector at the Large Hadron Collider, and corresponds to an integrated luminosity of 140 fb –1 . The measured value of the Higgs boson mass is 125.17 ± 0.11(stat.) ± 0.09(syst.) GeV and is based on an improved energy scale calibration for photons, whose impact on the measurement is about four times smaller than in the previous publication. A combination with the corresponding measurement using 7 and 8 TeV pp collision ATLAS data results in a Higgs boson mass measurement of 125.22 ± 0.11(stat.) ± 0.09(syst.) GeV. With an uncertainty of 1.1 per mille, this is currently the most precise measurement of the mass of the Higgs boson from a single decay channel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

H-mode pedestal improvements with neon injection in DIII-D

Improvements in the H-mode pedestal pressure and global energy confinement were determined on DIII-D with both 3 and 6 MW of neutral beam (NBI) heating with neon injection. The pedestal pressure increased, primarily associated with a significant increase in the pedestal density with a relatively smaller decrease in the pedestal temperature. At the same neon injection rate, a rapid decrease in edge localized mode (ELM) frequency and ~35% increase in plasma stored energy were observed in the 3 MW discharge, while in the 6 MW discharge, the ELM frequency was gradually decreased and the plasma stored energy gradually increased by up to 20%. The measured pedestal widths from both 3 and 6 MW discharges matched the EPED1.0 width scaling, ${\Delta _{{\psi _N}}} = 0.089\beta _{p,ped}^{1/2}$ ,data-, within 20% deviations before and after neon injection. The peeling-ballooning mode (PBM) stability analysis showed that after neon injection, the ballooning stability boundary was increased, while the peeling stability boundary only dropped once the neon level was relatively high. The ballooning stability boundary increase with neon injection is consistent with increase of the ion diamagnetic stabilization (i.e. including the contribution from carbon, neon as well as deuterium ions) which is used in the criterion to determine when the calculated linear growth rates of PBM are unstable. Consequently, the new ELITE computed PBM boundaries were more consistent with the operating points than when only deuterium was included. This in turn suggests that the impurity may help to improve pedestal pressure through affecting ion diamagnetic frequency in the pedestal region, which could positively lead to the ballooning stability boundary extension.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Integrated and differential fiducial cross-section measurements for the vector boson fusion production of the Higgs boson in the $H → WW^* → evμv$ decay channel at 13 TeV with the ATLAS detector

The vector-boson production cross-section for the Higgs boson decay in the H→WW*→eνμν channel is measured as a function of kinematic observables sensitive to the Higgs boson production and decay properties as well as integrated in a fiducial phase space. The analysis is performed using the proton-proton collision data collected by the ATLAS detector in Run 2 of the LHC at $\sqrt{s}$=13 TeV center-of-mass energy corresponding to an integrated luminosity of 139 fb -1 . The different flavor final state is studied by selecting an electron and a muon originating from a pair of W bosons and compatible with the Higgs boson decay. The data are corrected for the effects of detector inefficiency and resolution, and the measurements are compared with different state-of-the-art theoretical predictions. The differential cross-sections are used to constrain anomalous interactions described by dimension-six operators in an Effective Field Theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurements of differential cross sections of Higgs boson production through gluon fusion in the $H\rightarrow WW^{*}\rightarrow e\nu \mu \nu$ final state at $\sqrt{s} = 13$ TeV with the ATLAS detector

Higgs boson production via gluon–gluon fusion is measured in the $H\rightarrow WW^{*}\rightarrow e\nu \mu \nu$ decay channel. The dataset utilized corresponds to an integrated luminosity of 139 fb -1 collected by the ATLAS detector from $\sqrt{s} = 13$ TeV proton–proton collisions delivered by the Large Hadron Collider between 2015 and 2018. Differential cross sections are measured in a fiducial phase space restricted to the production of at most one additional jet. The results are consistent with Standard Model expectations, derived using different Monte Carlo generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

CROCUS Urban Fluxes of CO₂, H₂O, and Turbulence at University of Illinois Chicago

As of May 12, 2026 this dataset is currently being versioned to include data up to April 2026. Once the versioning process is complete, new data files will be available for access. The dataset metadata will also be updated to reflect the data availability of the new data being versioned. This dataset was collected at the UIC Plant Research Laboratory in Chicago, Illinois, as part of the Community Research on Climate and Urban Science (CROCUS) Urban Integrated Field Laboratory (UIFL) project, led by Argonne National Laboratory. The site provides continuous atmospheric flux measurements, focusing on CO₂, H₂O, and heat and momentum transport in an urban setting. The data is processed at 30 minutes interval using the Eddy Covariance method and includes quality control and diagnostic data generated by EddyPro software. The data is stored in the netCDF files following CF conventions. The UIC Plant Research Laboratory is located near major highways and urban infrastructure, including buildings and parking areas. The surrounding landscape consists of a mix of turf, plants, trees, and impervious surfaces such as concrete and asphalt, making it ideal for studying urban at for studies on urban sustainability, air quality, and the effects of urbanization on atmospheric processes on urban climate dynamics, air quality, and surface-atmosphere exchanges within the city of Chicago. This dataset is funded by the U.S. Department of Energy’s Office of Science, Biological and Environmental Research (BER) program.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Uniaxial Strain Tuned Magnetism of the Altermagnet Candidate H-FeS

Altermagnets are a newly recognized class of magnetic materials characterized by compensated spin configurations while still breaking time-reversal symmetry and exhibiting unconventional transport phenomena. Hexagonal FeS (h-FeS) is a recently identified altermagnet candidate that shows a spontaneous anomalous Hall effect (AHE) accompanied by a tiny net magnetization. Here, we show that both the spontaneous AHE and magnetization can be effectively suppressed by an in-plane compressive strain. Since neutron diffraction measurements show that the applied uniaxial strain only modifies the in-plane domain population but does not affect the in-plane magnetic structure, the major effect of the applied strain is to tune the small 𝑐-axis ferromagnetic moment. Our results demonstrate a strong correlation between the tiny net magnetization and the spontaneous AHE in h-FeS, and show that uniaxial strain provides an effective knob to tune both properties in this altermagnet candidate for spintronic applications.

Yao, Weiliang [ORNL]↗
DOE OSTI2024

T–x diagrams for the CO 2 –H 2 O system: The importance of water content in CO 2 transportation for carbon capture and storage

Abstract When water is present in a CO 2 pipeline, corrosion or plugging can occur due to the formation of liquid water or gas hydrate, respectively. Understanding how corrosion and hydrate plugging can be avoided is important for enhanced oil recovery and carbon dioxide capture and storage processes. If the CO 2 is sufficiently dried prior to transportation, the formation of these problematic free‐water phases can be avoided. In this work, isobaric T–x diagrams were developed from the P–T diagram for the CO 2 –H 2 O binary system. Pressures ranging from just below the lower quadruple point to above the lower critical end point were studied. These diagrams are meant to give the reader a better conceptual understanding of how the water composition in CO 2 –H 2 O mixtures will influence phases that form at different temperatures and pressures. The diagrams are analyzed from the perspective of flow assurance in CO 2 transportation.

Wadsworth, Lindsey A.↗
DOE OSTI2022

[FeFe]‐Hydrogenase: Defined Lysate‐Free Maturation Reveals a Key Role for Lipoyl‐H‐Protein in DTMA Ligand Biosynthesis

Abstract Maturation of [FeFe]‐hydrogenase (HydA) involves synthesis of a CO, CN − , and dithiomethylamine (DTMA)‐coordinated 2Fe subcluster that is inserted into HydA to make the active hydrogenase. This process requires three maturation enzymes: the radical S‐adenosyl‐ l ‐methionine (SAM) enzymes HydE and HydG, and the GTPase HydF. In vitro maturation with purified maturation enzymes has been possible only when clarified cell lysate was added, with the lysate presumably providing essential components for DTMA synthesis and delivery. Here we report maturation of [FeFe]‐hydrogenase using a fully defined system that includes components of the glycine cleavage system (GCS), but no cell lysate. Our results reveal for the first time an essential role for the aminomethyl‐lipoyl‐H‐protein of the GCS in hydrogenase maturation and the synthesis of the DTMA ligand of the H‐cluster. In addition, we show that ammonia is the source of the bridgehead nitrogen of DTMA.

Pagnier, Adrien↗
DOE OSTI2023

Porous and Water Stable 2D Hybrid Metal Halide with Broad Light Emission and Selective H 2 O Vapor Sorption

Abstract In this work we report a strategy for generating porosity in hybrid metal halide materials using molecular cages that serve as both structure‐directing agents and counter‐cations. Reaction of the [2.2.2] cryptand (DHS) linker with Pb II in acidic media gave rise to the first porous and water‐stable 2D metal halide semiconductor (DHS) 2 Pb 5 Br 14 . The corresponding material is stable in water for a year, while gas and vapor‐sorption studies revealed that it can selectively and reversibly adsorb H 2 O and D 2 O at room temperature (RT). Solid‐state NMR measurements and DFT calculations verified the incorporation of H 2 O and D 2 O in the organic linker cavities and shed light on their molecular configuration. In addition to porosity, the material exhibits broad light emission centered at 617 nm with a full width at half‐maximum (FWHM) of 284 nm (0.96 eV). The recorded water stability is unparalleled for hybrid metal halide and perovskite materials, while the generation of porosity opens new pathways towards unexplored applications ( e.g . solid‐state batteries) for this class of hybrid semiconductors.

Azmy, Ali↗
DOE OSTI2021

Maximizing the Catalytic Performance of Pd@Au x Pd 1- x Nanocubes in H 2 O 2 Production by Reducing Shell Thickness to Increase Compositional Stability

We report a simple route based upon seed-mediated growth to the synthesis of Pd@Au x Pd 1-x (0.8≤x≤1) core–shell nanocubes. Benefiting from the well-defined {100} facets and an optimal Au/Pd ratio for the surface, the nanocubes bearing a shell made of Au 0.95 Pd 0.05 work as an efficient electrocatalyst toward H 2 O 2 production, with high selectivity of 93–100 % in the low-overpotential region of 0.4–0.7 V. When the Au 0.95 Pd 0.05 alloy is confined to a shell of only three atomic layers in thickness, the electrocatalyst is able to maintain its surface structure and elemental composition, endowing continuous and stable production of H2O2 during oxygen reduction at a high rate of 1.62 mol g( Pd+Au ) -1 h -1 . This work demonstrates a versatile route to the rational development of active and durable electrocatalysts based upon alloy nanocrystals.

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

Porous and Water Stable 2D Hybrid Metal Halide with Broad Light Emission and Selective H 2 O Vapor Sorption

Here, in this work we report a strategy for generating porosity in hybrid metal halide materials using molecular cages that serve as both structure-directing agents and counter-cations. Reaction of the [2.2.2] cryptand (DHS) linker with Pb II in acidic media gave rise to the first porous and water-stable 2D metal halide semiconductor (DHS) 2 Pb 5 Br 14 . The corresponding material is stable in water for a year, while gas and vapor-sorption studies revealed that it can selectively and reversibly adsorb H 2 O and D 2 O at room temperature (RT). Solid-state NMR measurements and DFT calculations verified the incorporation of H 2 O and D 2 O in the organic linker cavities and shed light on their molecular configuration. In addition to porosity, the material exhibits broad light emission centered at 617 nm with a full width at half-maximum (FWHM) of 284 nm (0.96 eV). The recorded water stability is unparalleled for hybrid metal halide and perovskite materials, while the generation of porosity opens new pathways towards unexplored applications (e.g. solid-state batteries) for this class of hybrid semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Surface Protected Organozirconium Catalyzes C─H Alumination of Saturated Hydrocarbons

Surface grafted organozirconium catalyzes C─H/Et─Al exchange reactions, involving saturated hydrocarbons and AlEt 3 , to afford organoaluminum compounds and ethane. The Zr(O t Bu) 3 @SiO 2 -Al 2 O 3 –700 (1) catalyst contains monopodal ≡SiO─Zr(O t Bu) 3 and only a few residual silanols (<5%). Nonetheless, these silanols are the Achille's heel of 1, providing a pathway for surface and catalyst degradation during catalysis, limiting the alkylaluminum yield and catalyst turnover. Support degradation, involving the cleavage of Si─O bonds by activated surface organometallics, is inhibited by capping silanols with ─SiMe 3 . Residual silanols in 1 react with allyltrimethylsilane, as determined by solid-state 13 C and 29 Si nuclear magnetic resonance (NMR) spectroscopy, infrared (IR) spectroscopy, and reaction stoichiometry, to form Zr(O t Bu) 3 /SiMe 3 @SiO 2 -Al 2 O 3–700 (2), which is resistant to degradation by AlEt 3 . C─H alumination of dodecane catalyzed by 2 produces higher yields of the 1-dodecylaluminum product in comparison to 1, and in >95% selectivity. Additionally, methane undergoes 2-catalyzed C─H alumination, providing a route to AlMe 3 .

Banerjee, Sayak [Iowa State Univ., Ames, IA (Unite↗
DOE OSTI2023

CO 2 Activation with Manganese Tricarbonyl Complexes through an H–Atom Responsive Benzimidazole Ligand

Herein, we report the synthesis and characterization of two manganese tricarbonyl complexes, Mn I (HL)(CO) 3 Br (1 a-Br) and Mn I (MeL)(CO) 3 Br (1 b-Br) (where HL=2-(2’-pyridyl)benzimidazole; MeL=1-methyl-2-(2’-pyridy)benzimidazole) and assayed their electrocatalytic properties for CO 2 reduction. A redox-active pyridine benzimidazole ancillary ligand in complex 1 a-Br displayed unique hydrogen atom transfer ability to facilitate electrocatalytic CO 2 conversion at a markedly lower reduction potential than that observed for 1 b-Br. Notably, a one-electron reduction of 1 a-Br yields a structurally characterized H-bonded binuclear Mn(I) adduct (2 a’) rather than the typically observed Mn(0)-Mn(0) dimer, suggesting a novel method for CO 2 activation. Furthermore, combining advanced electrochemical, spectroscopic, and single crystal X-ray diffraction techniques, we demonstrate the use of an H-atom responsive ligand may reveal an alternative, low-energy pathway for CO 2 activation by an earth-abundant metal complex catalyst.

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

Ti‐Modified Imogolite Nanotubes as Promising Photocatalyst 1D Nanostructures for H 2 Production

Imogolite nanotubes (INTs) are predicted as a unique 1D material with spatial separation of conduction and valence band edges but their large band gaps have inhibited their use as photocatalysts. The first step toward using these NTs in photocatalysis and exploiting the polarization-promoted charge separation across their walls is to reduce their band gap. Here, the modification of double-walled aluminogermanate INTs by incorporation of titanium into the NT walls is explored. The precursor ratio x = [Ti]/([Ge]+[Ti]) is modulated between 0 and 1. Structural and optical properties are determined at different scales and the photocatalytic performance is evaluated for H 2 production. Although the incorporation of Ti atoms into the structure remains limited, the optimal condition is found around x = 0.4 for which the resulting NTs reveal a remarkable hydrogen production of ≈1500 µmol g −1 after 5 h for a noble metal-free photocatalyst, a 65-fold increase relative to a commercial TiO 2 -P25. This is correlated to a lowering of the recombination rate of photogenerated charge carriers for the most active structures. These results confirm the theoretical predictions regarding the potential of modified INTs as photoactive nanoreactors and pave the way for investigating and exploiting their polarization properties for energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Factorization at subleading power and endpoint divergences in h → γγ decay. Part II. Renormalization and scale evolution

Building on the recent derivation of a bare factorization theorem for the b-quark induced contribution to the h → γγ decay amplitude based on soft-collinear effective theory, we derive the first renormalized factorization theorem for a process described at subleading power in scale ratios, where λ = m b /M h « 1 in our case. We prove two refactorization conditions for a matching coefficient and an operator matrix element in the endpoint region, where they exhibit singularities giving rise to divergent convolution integrals. The refactorization conditions ensure that the dependence of the decay amplitude on the rapidity regulator, which regularizes the endpoint singularities, cancels out to all orders of perturbation theory. We establish the renormalized form of the factorization formula, proving that extra contributions arising from the fact that “endpoint regularization” does not commute with renormalization can be absorbed, to all orders, by a redefinition of one of the matching coefficients. We derive the renormalization-group evolution equation satisfied by all quantities in the factorization formula and use them to predict the large logarithms of order $αα^2_sL^k$ in the three-loop decay amplitude, where $L=ln(-M^2_h/m^2_b)$ and k = 6, 5, 4, 3. We find perfect agreement with existing numerical results for the amplitude and analytical results for the three-loop contributions involving a massless quark loop. On the other hand, we disagree with the results of previous attempts to predict the series of subleading logarithms $~αα^n_sL^{2n+1}$

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗