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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Characterizing the localization of organic C on mineral surfaces: a correlative microscopy/spectroscopy approach

It is estimated that organic carbon (OC) in soils exceeds the amount of OC in atmosphere and in vegetation pools combined.1 Given the current changes in climate and increasing temperatures in the environment, the fraction of OC sequestered in soils and sediments is more sensitive to decomposition and release as CO 2 in the atmosphere. Evidence implies that sorption and association of dissolved OC with inorganic soil components, i.e., soil minerals, is a key mechanism that contributes to stabilization and retention of OC in soil environment. Studies have shown a direct correlation between sorption of dissolved OC and soil mineral surface properties and their surface area. In addition, properties of organic compounds such as chemical structure and functional groups play a significant role in interaction of dissolved organic species with mineral surfaces. Association of OC with minerals via ligand exchange reactions, polyvalent tertiary bonding, or complexation with metal ions, is found to be preferential and dependent on the organic compounds’ functional groups.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Preparation, analysis, and application of coated glass targets for the Wendelstein 7-X laser blow-off system

Coated glass targets are a key component of the Wendelstein 7-X laser blow-off system that is used for impurity transport studies. The preparation and analysis of these glass targets as well as their performance is examined in this paper. The glass targets have a high laser damage threshold and are coated via physical vapor deposition with μm thick films. In addition, nm-thin layers of Ti are used as an interface layer for improved ablation efficiency and reduced coating stress. Hence, the metallic or ceramic coating has a lateral homogeneity within 2% and contaminants less than 5%, being optimal for laser ablation processing. With this method, a short (few ms) and well defined pulse of impurities with about 1017 particles can be injected close to the last closed flux surface of Wendelstein 7-X. In particular, a significant amount of atoms with a velocity of about 1 km/s enters the plasma within 1 ms. The atoms are followed by a negligible concentration of slower clusters and macro-particles. This qualifies the use of the targets and applied laser settings for impurity transport studies with the laser blow-off system in Wendelstein 7-X.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Coupled surface plasmon–phonon polariton nanocavity arrays for enhanced mid-infrared absorption

Abstract Resonant optical cavities are essential components in mid-infrared applications. However, typical film-type cavities require multilayer stacks with a micron-thick spacer due to mid-infrared wavelengths, and their performance is limited by narrow frequency tunability and angular sensitivity. We propose and experimentally demonstrate the subwavelength-scale (≈ λ 0 /150) resonant nanocavity arrays that enhance the absorption spectrum of the device in the mid-infrared (10–12 microns) via excitation of coupled surface plasmon–phonon polaritons. The proposed metal–insulator–polar dielectric (gold–silicon–silicon carbide) structure supports a guided mode of the coupled surface polaritons in the lateral direction while vertically confining the mid-infrared wave within the 80 nm thick dielectric spacer. In particular, the subwavelength-scale (≈ λ 0 /10) gratings are imposed to form Fabry–Pérot cavity arrays displaying angle-insensitive and frequency-tunable absorption of up to 80% of the optical power in the mid-infrared. Our work should benefit diverse mid-infrared applications and novel designs of polariton-based photonic devices.

42 ENGINEERING↗
DOE OSTI2021

Gear Test Assembly – Experimental Testing and Gear Analysis (FY2021 Year End Report)

The Gear Test Assembly (GTA) is an experimental apparatus designed to test mechanical components used in fuel handling systems of liquid-sodium cooled fast-spectrum nuclear reactors. The performance and lifetime of gears, bearings, and dynamic seals are the primary focus of study. Three experimental campaigns have been completed since the start of operation in 2019, and the GTA is currently assembled and ready to begin the fourth experimental campaign. Sodium operations at the Mechanisms Engineering Test Loop (METL) have been paused while repairs are made to the Building 308 Alkali Metal Scrubber. This work is nearly complete, and once METL is brought back into operation the GTA will begin sodium testing immediately.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Thermal Hydraulic Experimental Test Article - Fiscal Year 2023 (Final Report)

The Thermal Hydraulic Experimental Test Article (THETA) is a facility that is used to develop sodium components and instrumentation as well as acquire experimental data for validation of reactor thermal hydraulic and safety analysis codes. The facility simulates nominal conditions as well as protected/unprotected loss of flow accidents in a sodium-cooled fast reactor (SFR). High fidelity distributed temperature profiles of the developed flow field may be acquired with Rayleigh backscatter based optical fiber temperature sensors. The facility was designed in partnership with systems code experts to tailor the experiment to ensure the most relevant and highest quality data for code validation. THETA is comprised of a traditional primary coolant and secondary coolant system. The primary system is submerged in the pool of sodium and consists of a pump, electrically heated core, intermediate heat exchanger, and connected piping and thermal barriers (redan). The secondary system, located outside of the sodium pool, consists of a pump, sodium to air heat exchanger, and connected piping and valves. To date a test matrix has been completed utilizing the primary system of THETA. These tests, along with computational fluid dynamics and systems code models, determined the heat transfer across the core barrel and intermediate heat exchanger outlet was too great to effectively represent scaled thermal hydraulic phenomena of a liquid metal cooled reactor. Therefore, a significant effort was made to remove the primary system from the METL 28” test vessel #4 and clean the residual sodium from the primary system to facilitate upgrades. Thermal insulation was then incorporated in the core barrel and intermediate heat exchanger outlets. The primary system was then replaced, and a series of tests were performed to assess the performance of the thermal insulation. With primary system testing and upgrades complete, the secondary system could then be brought online. The tube side of the shell-and-tube intermediate heat exchanger was installed onto the primary system flange to begin installing the secondary system. The support structure for the secondary system was then erected on the METL mezzanine alongside the THETA primary system to facilitate installation of the secondary system components (sodium-to-air heat exchanger, flowmeter and pump). The piping and expansion tank were welded into the secondary system. Non-destructive examination of the secondary system welds was completed in order to satisfy ASME B31.3 pipe code for class M process fluids. The heating system and insulation were then added to prepare the system to be filled with sodium. The ancillary electrical equipment was installed which included the pump control box, blower VFD, pipe heater control system, etc. The secondary system will be filled, and a test matrix will be completed in early FY2024.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Experimental evaluation of localized creep deformation in grade 91 steel weldments

Spatially resolved measurement of localized creep deformation in heterogeneous creep resistant steel weldments is crucial but challenging for lifetime assessments of critical steam components in power plants. Here, experimental approaches were established to quantitatively evaluate commonly observed localized creep deformation in multi-pass Grade 91 steel weldments. An in-situ digital image correlation (DIC) system was utilized with a creep testing frame to monitor and measure both full-field strain and localized strain accumulation across the weldments during long-term creep testing at elevated temperatures. The in situ DIC method measured not only the creep deformation behavior of the weld metal, heat affected zone (HAZ), and base metal, but also creep strain evolution for each sub-region within the HAZ itself, including coarse-grained HAZ, fine-grained HAZ (FGHAZ), and intercritical HAZ (ICHAZ). The DIC results revealed that local creep strain in the ICHAZ reached up to 90% strain before final rupture, whereas nominal creep strain measured by the standard extensometer of the tested cross-weld specimen was below 10%, indicative of Type IV cracking of the Grade 91 weld. Microstructural analyses revealed that the faster creep degradation/deformation in the HAZ was caused mainly by accelerated matrix grain recrystallization/growth and a reduced pinning effect from the segregated and coarsened precipitates in the FGHAZ and ICHAZ. The ultimate creep rupture occurred in the ICHAZ owing to its lowest creep resistance induced by the largest recrystallized grain size, the lowest fraction of coincidence site lattice, and the lowest local strain energies/dislocation densities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nanoscale Mg–B via Surfactant Ball Milling of MgB 2 : Morphology, Composition, and Improved Hydrogen Storage Properties

Metal borides have attracted the attention of researchers due to their useful physical properties and unique ability to form high hydrogen-capacity metal borohydrides. We demonstrate improved hydrogen storage properties of a nanoscale Mg–B material made by surfactant ball milling MgB 2 in a mixture of heptane, oleic acid, and oleylamine. Transmission electron microscopy data show that Mg–B nanoplatelets are produced with sizes ranging from 5 to 50 nm, which agglomerate upon ethanol washing to produce an agglomerated nanoscale Mg–B material of micron-sized particles with some surfactant still remaining. X-ray diffraction measurements reveal a two-component material where 32% of the solid is a strained crystalline solid maintaining the hexagonal structure with the remainder being amorphous. Fourier transform infrared shows that the oleate binds in a “bridge-bonding” fashion preferentially to magnesium rather than boron, which is confirmed by density functional theory calculations. The Mg–B nanoscale material is deficient in boron relative to bulk MgB 2 with a Mg–B ratio of ~1:0.75. The nanoscale MgB 0.75 material has a disrupted B–B ring network as indicated by X-ray absorption measurements. Hydrogenation experiments at 700 bar and 280 °C show that it partially hydrogenates at temperatures 100 °C below the threshold for bulk MgB 2 hydrogenation. In addition, upon heating to 200 °C, the H–H bond-breaking ability increases ~10-fold according to hydrogen–deuterium exchange experiments due to desorption of oleate at the surface. This behavior would make the nanoscale Mg–B material useful as an additive where rapid H–H bond breaking is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High Layer Uniformity of Two-Dimensional Materials Demonstrated Surprisingly from Broad Features in Surface Electron Diffraction

Paradoxically, a very broad diffraction background, named the bell-shaped-component (BSC), has been established as a feature of graphene growth. Recent diffraction studies as a function of electron energy have shown that the BSC is not related to scattering interference. Here, additional experiments are carried out as a function of temperature over the range in which single-layer graphene (SLG) grows. Quantitative fitting of the profiles shows that the BSC follows the increase of the Gr(10) spot, proving directly that the BSC indicates high-quality graphene. Additional metal deposition experiments provide more information about the BSC. The BSC is insensitive to metal deposition, and it increases with metal intercalation, because a more uniform interface forms between graphene and SiC. These experiments support the conclusion that the BSC originates from electron confinement within SLG, and surprisingly, it is an excellent measure of graphene uniformity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Porous Ti-MOF-74 Framework as a Strong-Binding Nitric Oxide Scavenger

Combining synthesis, infrared spectroscopy, and ab initio modeling we show that the titanium-based porous framework Ti-MOF-74 has potential as an environmental nitric oxide (NO) scavenger, exhibiting an extraordinarily strong binding affinity and selectivity over other flue-gas components. The robustness upon exposure to water vapor and high flue-gas stack temperatures suggests that this material can perform well in an industrial environment. In-depth analysis of the Ti-NO bond indicates that the NO forms a strong covalent bond with the Ti. The process of this NO bond formation involves a reaction with the OH- capping groups of the Ti to form NO x groups, after which the excess NO binds to the open Ti metal sites. Ti-MOF-74 thus becomes, to the best of our knowledge, the first known porous framework that binds NO significantly stronger than water, providing novel avenues for environmental and physiological scavenging applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intrinsic and Extrinsic Factors Influencing the Dynamics of VO 2 Mott Oscillators

Oscillatory devices have gained significant interest recently as key components of computing systems based on biomimetic neuronal spiking. An understanding of the time scales underlying the spiking is essential for engineering fast, controllable, low energy devices. However, we find that the intrinsic dynamics of these devices are difficult to properly characterize, as they can be heavily influenced by the external circuitry used to measure them. Here we demonstrate these challenges using a VO 2 Mott oscillator with a sub-100 nm effective size, achieved using a nanogap cut in a metallic carbon nanotube electrode. Given the nanoscale thermal volume of this device, it would be expected to exhibit rapid oscillations. However, due to external parasitics present within commonly used current sources, we see orders of magnitude slower dynamics. Here, we outline methods for determining when measurements are dominated by extrinsic factors and discuss the operating conditions under which intrinsic oscillation frequencies may be observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electronic scattering off a magnetic hopfion

We study scattering of itinerant electrons off a magnetic hopfion in a three-dimensional metallic magnet described by a magnetization vector S(r). A hopfion is a confined topological soliton of S(r) characterized by an emergent magnetic field Bγ(r)≡ε αβγ S∙(∇ α S×∇ β S)/4≠0 with vanishing average value [B(r)]=0. We evaluate the scattering amplitude in the opposite limits of large and small hopfion radius R using the eikonal and Born approximations, respectively. In both limits, we find that the scattering cross section contains a skew-scattering component giving rise to the Hall effect within a hopfion plane. That conclusion contests the popular notion that the Hall effect in noncollinear magnetic structures necessarily implies [B(r)]≠0. In the limit of small hopfion radius pR<<1, we expand the Born series in powers of momentum p and identify different expansion terms corresponding to the hopfion anisotropy, toroidal moment, and skew scattering.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Vertical Structure of Local Disk Galaxies Revealed by DESI Imaging Data

The vertical structure of galactic disks is an important probe of the disk assembly history. Here we investigate the vertical structure of a sample of 79 local disk galaxies within 50 Mpc using data from the Dark Energy Spectroscopic Instrument Legacy Imaging Surveys. Vertical luminosity profiles as a function of radius in the g, r, and z bands are extracted and fitted using a single-component sech2 model to determine scale height and its radial variation (i.e., flaring). Our measurements indicate local galactic disks are overall thin with negligible flaring. The median scale heights at 1 R e are 0.21, 0.22, and 0.22 kpc in the g, r, and z bands, respectively, while the median radial gradients of scale height are −0.006, 0.003, and 0.001 in these bands. These values are consistent with that of the geometric thin disk of the Milky Way represented by metal-rich, low-[α/Fe] populations, confirming the weak flaring of the geometric thin disk. A clear positive correlation of scale height with stellar mass is observed down to the low-mass end of 10 7 M ⊙ . These results provide a homogeneous benchmark for the vertical structure of nearby disk galaxies and establish the cosmological representativeness of the Milky Way thin disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

UV–Vis–NIR Reflectance Spectroscopy and Chemometrics for Monitoring Pu Directly on an Ion Exchange Column

Here, we present a fiber-optic UV–vis–NIR reflectance spectroscopy method for direct, noninvasive monitoring of Pu(IV) in a glass ion exchange column during dynamic loading and elution in a glovebox. A movable probe enables spatially resolved spectral acquisition along the column axis, capturing distinct features associated with Pu(IV) nitrate complexes during loading and free ions during elution. Principal component analysis was applied to extract the dominant spectral variance and resolve relative concentration profiles without requiring precise knowledge of optical penetration depth or species identity. This in situ approach reveals spatial gradients and speciation dynamics in real time, which provides actionable insight into Pu(IV) ion migration, resin saturation, and breakthrough behavior under evolving flow conditions. The method offers a practical, fiber-compatible strategy to monitor glass column–based separations for Pu and other lanthanides or actinides and to characterize metal–resin interactions in flow-through systems.

actinide↗
DOE OSTI2025

Solvent-Free Dimerization of Isoprene at Ambient Temperature: A Green Route to Biofuel-Range Hydrocarbons

In order to achieve a net-zero carbon footprint by 2050, the global aviation industry must reduce its dependence on fossil fuels. In this regard, there is a global challenge to produce sufficient sustainable aviation fuel (SAF) from renewable sources. Isoprene is an intermediate molecule that can be derived from multiple biomass-based or biosynthetic routes. Here, in this work, we report a green route for the catalytic conversion of isoprene to hydrocarbons that are suitable for aviation fuel. By using an Amberlyst-15 catalyst without metal loading at ambient temperature (19–23 °C), as well as 40 °C, 50 °C, and 60 °C, isoprene was converted into olefinic precursors for SAF and/or blending with conventional aviation fuels. Specifically, at ambient temperature, the process achieved approximately 70 wt % conversion of isoprene with over 50 mol % carbon selectivity toward the aviation fuel range. The resulting SAF-range hydrocarbons were composed of iso-alkenes, branched olefinic monocyclic compounds, and bicyclic compounds, covering a wide range of aviation fuel components. Our work demonstrates, for the first time, the formation of diverse hydrocarbon families for SAF and/or aviation fuel blending at ambient temperature from isoprene.

09 BIOMASS FUELS↗
DOE OSTI2020

Relativistic two-component projection-based quantum embedding for open-shell systems

In this work, we present a relativistic quantum embedding formalism capable of variationally treating relativistic effects, including scalar-relativity and spin–orbit coupling. We extend density functional theory (DFT)-in-DFT projection-based quantum embedding to a relativistic two-component formalism, where the full spin magnetization vector form is retained throughout the embedding treatment. To benchmark various relativistic embedding schemes, spin–orbit splitting of the nominally t 2g valence manifold of W(CO) 6 , exchange coupling of [(H 3 N) 4 Cr(OH) 2 Cr(NH 3 ) 4 ] 4+ , and the dissociation potential curve of WF 6 are investigated. The relativistic embedding formalism introduced in this work is well suited for efficient modeling of open-shell systems containing late transition metal, lanthanide, and actinide molecular complexes.

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

Dielectric screening at TMD:hBN interfaces: Monolayer-to-bulk transition, local-field effect, and spatial dependence

The dielectric effects of a substrate have been shown to be important for modulating the electronic properties of an adsorbate, especially in van der Waals heterostructures. Here, using the first-principles dielectric embedding GW approach within the framework of many-body perturbation theory, we perform a case study on the dielectric screening effects of hexagonal boron nitride (hBN) on various transition-metal dichalcogenides (TMDs). We consider three systems, monolayer MoS 2 , bilayer MoS 2 , and a mixed WS 2 /MoS 2 bilayer adsorbed on hBN, and examine three aspects of the substrate dielectric screening: (i) the thickness dependence and the monolayer-to-bulk transition, for which we consider the effects of one-, two-, three-, and four-layer hBN; (ii) the local-field effect, for which we numerically assess a common approximation of neglecting the in-plane local-field components of the substrate polarizability; and (iii) the spatial dependence, for which we consider the mixed WS 2 /MoS 2 bilayer adsorbed on hBN with either side facing the substrate. Finally, our results provide quantitative insight into how the substrate screening effects can be leveraged for band structure engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Rethinking Suicide Thi4 Thiazole Synthases: Comparative Genomic Insights and Pilot Functional Evidence

Suicide thiazole synthases (Thi4) are mononuclear metal enzymes that form the thiazole moiety of thiamin from NAD + , glycine, and a sulfur atom that is stripped from an active-site cysteine residue, causing enzyme inactivation. Comparative genomic analysis shows that prokaryotic Thi4 genes often cluster on the chromosomal regions encoding ThiS, ThiF, and other proteins that can produce, relay, or use persulfide or thiocarboxylate sulfur. These recurring genomic associations raise the possibility that, in some microorganisms, suicide Thi4s may interact with sulfur-relay systems, i.e., they can possibly operate in a nonsuicide mode. This proof-of-concept study explores this possibility via complementation assays using Escherichia coli as a heterologous platform. A representative bacterial Thi4 that clustered with thiS and thiF complemented an E. coli ΔthiG (thiazole auxotroph) single mutant better than a ΔthiG ΔthiF ΔthiS triple mutant. Although (in)direct sulfur transfer could not be assessed in the scope of our investigation, the initial results suggest a dependence on host sulfur relay components, consistent with predicted interactions with the host sulfide transfer chain. Collectively, this new perspective provides a useful guide for future biochemical studies on alternative modes of action for “suicide Thi4s” and accessory proteins.

Bacteria↗
DOE OSTI2026

Pore-Selective Fullerene Loading in a Porphyrin-Based Metal–Organic Framework Controls Photoinduced Charge-Transfer Dynamics

Building porous donor−acceptor networks based on host−guest interactions in metal organic frameworks (MOFs) provides unique opportunities for tuning charge separation in highly tailorable materials. Here we focus on installing electron-rich porphyrins and electron-deficient fullerene derivatives in the PCN-222 MOF using a solvent assisted ligand insertion (SALI) method. The fullerene is primarily bound in the large pore, where it is subject to distinct dielectric environments through dimethylformamide (DMF) and 1,4-dioxane solvent exchange. Following photoexcitation, sub-picosecond charge transfer involving initial exciplex population is observed, with different charge recombination pathways and lifetimes depending on solvent polarity through modulation of charge-transfer state energies. While the 1,4-dioxane environment yields charge recombination within 1 ns via local fullerene and porphyrin triplet state population, DMF results in charge recombination directly to the ground state on much longer time scales, including some lifetime components in the microsecond range. Fullerene loading influences these kinetics, and the potential for charge delocalization due to fullerene aggregation within the pores is evaluated by using molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗