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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unlocking liquid chemisorption in solid matrices: immobilized deep eutectic solvent-ZIF-8 composites for next-generation CO 2 capture

Achieving net-zero emissions by 2050 requires scalable and durable CO 2 capture solutions, with direct air capture (DAC) gaining increasing prominence. Deep eutectic solvents (DESs) have emerged as promising candidates due to their strong chemisorptive properties, but their liquid-phase nature limits integration into solid systems. In this study, we introduce a solid–liquid hybrid approach by immobilizing [TEAB][TEPA] 2 , a highly CO 2 -reactive DES, onto various supports via non-covalent immobilization. This strategy induces solid-like behavior while retaining molecular-level reactivity of the DES. Among the supports including ZIF-8, zeolite Y, zirconia, and alumina, the [TEAB][TEPA] 2 @ZIF-8-56% composite demonstrated promising CO 2 uptake capacity of 2.00 mmol g −1 adsorbent at 1 bar, 1.48 at 0.15 bar, 0.96 at 0.01 bar, and 0.59 at 0.4 mbar. Particularly, we can observe that the chemisorption capacity under 400 ppm conditions is successfully introduced into ZIF-8, whereas pristine ZIF-8 showed negligible uptake under these same conditions. Breakthrough experiments confirmed robust capture behavior under humid conditions. The composite exhibited excellent cycling stability over 100 capture-release cycles, supported by thermogravimetric analysis. In situ DRIFTS verified that the chemisorptive nature of the DES remained intact after immobilization. Additional characterization studies, including FTIR, PXRD, N 2 physisorption, and XPS depth profiling, revealed partial DES infiltration and strong interfacial interactions. Comparative results using alumina-based composites underscored the importance of microporosity in stability. Finally, these findings suggest that DES-MOF composites hold promise as carbon capture materials, bridging liquid-phase functionality and solid-state robustness.

Yoo, Yunsung [Northwestern Univ., Evanston, IL (Un↗
DOE OSTI2026

Direct electrode-to-electrode regeneration of end-of-life batteries via electrode–electrolyte interphase dissolution

Lithium-ion battery recycling remains constrained by processes that recover metals at the expense of electrode integrity, while even direct recycling typically requires shredding to black mass followed by binder removal, separation, and full electrode refabrication. Here, we introduce direct electrode-to-electrode regeneration (DEER), a simultaneous electrochemical regeneration of used NMC and graphite electrodes from end-of-life batteries in their intact form by dissolving the passivating electrode–electrolyte interphase (EEI). DEER employs 1,3-dimethyl-2-imidazolidinone (DMI), a high donor number solvent that creates a thermodynamic environment favorable for solubilizing redox inactive EEI components. DEER dissolves the thick EEI on both used electrodes while preserving electrode integrity, enabling up to 95% capacity regain and improved cycling stability with a residual LiF-rich interphase. Operando Raman, operando IR, and post-mortem NMR directly track the electrochemically driven dissolution of carbonate-derived EEI species in the used DMI-based recycling electrolyte. Technoeconomic and life-cycle analyses show that DEER reduces the cost of recycled cell manufacturing by 56% relative to pyro- and hydrometallurgy, while lowering energy use and greenhouse gas emissions. Overall, DEER establishes the first validated pathway to directly regenerate and reuse electrodes harvested from truly end-of-life batteries, converting the key interfacial bottleneck into a controllable dissolution process and opening a practical route toward electrode level circularity.

Kim, Kiwon [Cornell Univ., Ithaca, NY (United Stat↗
DOE OSTI2020

Structural reversibility of Cu doped NU-1000 MOFs under hydrogenation conditions

The metal-organic framework (MOF), NU-1000, and its metalated counterparts have found proof-of-concept application in heterogeneous catalysis and hydrogen storage amongst others. A vapor-phase technique, akin to atomic layer deposition (ALD), is used to selectively deposit divalent Cu ions on oxo, hydroxo-bridged hexa-zirconium(IV) nodes capped with terminal –OH and -OH 2 ligands. Subsequent reaction with steam yields node-anchored, CuII-oxo,hydroxo clusters. We find that cluster installation via AIM (= ALD In MOFs) is accompanied by an expansion of MOF mesopore (channel) diameter . We investigated the behavior of the cluster-modified material, termed Cu-AIM-NU-1000, to heat treatment up to 325 °C, at atmospheric pressure with a low flow of H2 into the reaction cell. The response under these conditions revealed two important results: (1) Above 200 °C, the initially installed few-metal-ion clusters reduce to neutral Cu atoms. The neutral atoms migrate from the nodes and aggregate into Cu nanoparticles. While the size of particles formed in the MOF interior is constrained by the width of mesopores (ca. 3 nm), those formed on the exterior surface of the MOF can grow as large as ca. 8 nm. (2) Reduction and release of Cu atoms from the MOFs nodes is accompanied NU-1000 undergoes dynamic structural transformation as it reverts back to its original dimension following the release. These results show while the MOF framework itself remains intact at 325 °C in an H 2 atmosphere, the small, AIM-installed Cu II -oxo,hydroxo clusters are stable with respect to reduction and conversion to metallic nanoparticles only up to ~200 °C.

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

A pulsed-power implementation of “Laser Gate” for increasing laser energy coupling and fusion yield in magnetized liner inertial fusion (MagLIF)

Magnetized Liner Inertial Fusion (MagLIF) at Sandia National Laboratories involves a laser preheating stage,where a few-ns laser pulse passes through a few-micron-thick plastic window to preheat gaseous fusion fuel contained within the MagLIF target. Interactions with this window reduce heating e ciency and mix window and target materials into the fuel. A recently proposed idea called \Laser Gate" involves removing the window well before the preheating laser is applied. In this article, we introduce experimental proof-of-principle results for a pulsed-power implementation of Laser Gate, where a thin current-carrying wire weakens the perimeter of the window, allowing the fuel pressure to push the window open and away from the preheating laser path. For this e ort, transparent targets were fabricated and a test facility capable of studying this version of Laser Gate was developed. A 12-frame bright- eld laser schlieren/shadowgraphy imaging system captured the window opening dynamics on microsecond timescales. The images exhibit that the window remains largely intact as it opens and detaches from the target. A column of escaping pressurized gas appears to prevent the detached window from inadvertently moving into the preheating laser path.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Determination of acoustic nonlinearity parameters using thermal modulation of ultrasonic waves

This study presents a test method and its theoretical framework to determine the acoustic nonlinearity parameters (α, β, δ) of material using thermal modulation of ultrasonic waves. Temperature change-induced thermal strain excites the nonlinear response of the material and modulates the ultrasonic wave propagating in it. Experimental results showed a strong correlation between the relative wave velocity change and the temperature change. With a quadratic polynomial model, the acoustic nonlinearity parameters were obtained from the polynomial coefficients by curve fitting the experimental data. Their effects on thermal-induced velocity change were discussed. The parameters α, β, and δ govern the hysteretic gap, average slope, and curvature of the correlation curve, respectively. The proposed theory was validated on aluminum, steel, intact and damaged concrete samples. The obtained nonlinear parameters show reasonable agreement with values reported in the literature. Compared to other nonlinear acoustic methods using vibration or acoustic excitation, the thermal modulation method generates more uniform, slow changing, and larger strain field in the test sample. Employing the thermal effect as the driving force for nonlinearity instead of an undesired influencing factor, this method can measure the absolute values of α, β, and δ with good accuracy using a simple ultrasonic test setup.

Physics↗
DOE OSTI2021

Hydration structure of flat and stepped MgO surfaces

We investigate the solvation structure of flat and stepped MgO(001) in neutral liquid water using ab initio molecular dynamics based on a hybrid density functional with dispersion corrections. Our simulations show that the MgO surface is covered by a densely packed layer of mixed intact and dissociated adsorbed water molecules in a planar arrangement with strong intermolecular H-bonds. The water dissociation fractions in this layer are >20% and >30% on the flat and stepped surfaces, respectively. Slightly above the first water layer, we observe metastable OH groups perpendicular to the interface, similar to those reported in low temperature studies of water monolayers on MgO. Here, these species receive hydrogen bonds from four nearby water molecules in the first layer and have their hydrophobic H end directed toward bulk water, while their associated protons are bound to surface oxygens. The formation of these OH species is attributed to the strong basicity of the MgO surface and can be relevant for understanding various phenomena from morphology evolution and growth of (nano)crystalline MgO particles to heterogeneous catalysis.

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

Self Assembled Monolayers for Passivated Contacts

Passivated contacts mitigate defects typically encountered due metallization of solar cells. We deposit amorphous silicon (a-Si:H) on an oxidized silicon wafer via PECVD and anneal at high temperature to crystallize into polysilicon passivated contact. One drawback is the absorption of the polysilicon between grid fingers, so removal of this material is desirable to maximize Jsc. Alternatively, interdigitated back contact cells rely on a gap between n- and p- fingers, which is commonly etched to ensure electronic isolation. We utilize a self assembled monolayer (SAM) using hexamethyldisilazane (HMDS) as a precursor to pattern and etch amorphous silicon (a-Si:H) and polysilicon without the need for photoresist. Ultraviolet light exposure oxidizes the HMDS by photocleaving the organic groups [1] of the SAM leaving a patterned SiO2. Directly soaking this in TMAH will eventually etch the SAM and the silicon, where the SiO2 serves as an etch mask. Inversely, a dilute HF dip selectively etches this SiO2 and the SAM remains. A subsequent soak in TMAH selectively etches the underlying silicon, where the SAM serves as an etch mask. Importantly, we find that the SAM can remain intact for metallization, where we measure 10 mO-cm2 specific contact resistivity on n-type polysilicon.

passivation↗
DOE OSTI2022

Microhydration of the metastable N -Protomer of 4-Aminobenzoic acid by condensation at 80 K: H/D exchange without conversion to the more stable O- protomer

4-Aminobenzoic acid (4ABA) is a model scaffold for studying solvent-mediated proton transfer. Although protonation at the carboxylic group (O-protomer) is energetically favored in the gas phase, the N-protomer, where the proton remains on the amino group, can be kinetically trapped by electrospray ionization of 4ABA in an aprotic solvent such as acetonitrile. Here we report the formation of the hydrated deuterium isotopologues of the N-protomers, RND 3 + ·(H 2 O) n=1-3 , (R=C 6 H 4 COOD), which are generated by condensing water molecules onto the bare N-protomers in a liquid nitrogen cooled, radiofrequency octopole ion trap at 80 K. The product clusters are then transferred to a 20 K cryogenic ion trap where they are tagged with weakly bound D 2 molecules. The structures of these clusters are determined by analysis of their vibrational patterns obtained by resonant IR photodissociation. The resulting patterns confirm that the metastable N-protomer configuration remains intact even when warmed by sequential condensation of water molecules. Attachment of H 2 O molecules onto the RND 3 + head group also affords the opportunity to explore the possibility of H/D exchange between the acid scaffold and the proximal water network. The spectroscopic results establish that although the RND 3 + ·(H 2 O) n=1,2 clusters are formed without H/D exchange, the n = 3 cluster exhibits about 10% H/D exchange as evidenced by the appearance of the telltale HOD bands. Furthermore, the site of exchange on the acid is determined to be the acidic OH by the emergence of the OH stretching fundamental in the -COOH motif.

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

Development of pebble-based extruded carbon rods for extreme plasma heat flux environments

This work presents first experiments toward the development of continuously renewable (extrudable) pebble-based carbon rods for use as plasma-facing components in extreme steady-state plasma flux environments. The primary envisioned application of this work is a first wall that can survive long-term in future magnetic fusion power reactors while also improving recovery of the reactor fuel (tritium and deuterium atoms). Bench tests applying extreme steady-state front-surface heat loads of up to 50 MW/m 2 are presented. Continuous pebble rod front-surface recession and intact pebble recovery are successfully demonstrated, at a rate of order 0.2 cm/s. Numerical simulations of the pebble rod front-surface recession are able to match observations reasonably well, indicating that the recession mechanism can be understood as occurring due to pebble thermal expansion and resulting shock and cracking of the inter-pebble binder. Tests of the pebble rod extrusion demonstrate that friction between the rods and the stainless-steel extrusion channel is tolerably low (<50 N for the expected channel length) over a wide range of temperatures. Front-surface outgassing rates below 1000 Torr L/s/m 2 are achieved, believed to be sufficiently low for use in magnetic fusion reactors. In conclusion, initial parametric scans over pebble rod size and binder fraction to vary front-surface recession rates are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sensitivity of synchrotron radiation to the superthermal electron population in mildly relativistic plasma

Synchrotron radiation has markedly different behavior in ~10 keV and in ~100 keV plasma. We show that high-energy electrons that occupy the tail of velocity distribution function have disproportionate impact on power loss of ~100 keV plasma. If electrons with energy more than cutoff energy are redistributed while keeping the Maxwellian distribution function below cutoff energy intact, both emission and absorption of synchrotron radiation act to decrease the lost power. Furthermore, these novel radiation transport effects in non-equilibrium plasma suggest large utility in the deconfinement of high-energy electrons to reduce synchrotron radiation in applications where the radiation is deleterious.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Advancing the mechanical integrity and fragmentation behavior of reactive projectiles

A multivariant statistical approach was used to identify treatment conditions that improve the survivability of structural reactive material (SRM) projectiles upon launch and enhance energy release upon impact. The study included both mechanical testing of projectiles as well as their reactive characterization. The projectiles were launched in a high-velocity impact-ignition testing system and impacted an anvil for vented chamber calorimetry. This study examined a link between ultimate compressive stress and combustion performance. Two treatments were applied to consolidated aluminum projectiles including annealing and addition of silica (SiO 2 ) inclusions. Results showed annealing at moderate temperatures resulted in intact SRM projectiles upon launch. Adding small concentrations (1–2 wt. %) of SiO 2 to the SRM promoted fragmentation and combustion performance upon impact. Compared to the untreated projectiles, annealing with SiO 2 inclusion processing treatments improved the energy conversion efficiency from 37–84% (for untreated projectiles) up to 54–98%. In conclusion, increasing interparticle dislocation recovery by annealing while balancing inclusions promoting fragmentation upon impact was the key to optimizing combustion performance for SRM ballistic impact applications.

42 ENGINEERING↗
DOE OSTI2024

High temperature stability of regrown and alloyed Ohmic contacts to AlGaN/GaN heterostructure up to 500 °C

This Letter reports the stability of regrown and alloyed Ohmic contacts to AlGaN/GaN-on-Si high electron mobility transistors (HEMTs) for high temperature applications up to 500 °C. Transfer length method (TLM) measurements from 25 to 500 °C in air show that the regrown contacts appear to be stable up to 500 °C during short term (approximately 1 h) testing, while alloyed contacts appear to decrease in contact resistance from 300 to 500 °C though increases in the error bounds due to increase sheet resistance make it difficult to conclude definitely. Additionally, longer term testing shows both technologies remain stable at least up to 48 h at 500 °C, after which the large increase in sheet resistance makes the measurement uncertainty too large to conclude definitively. Advanced microscopy images indicate both the regrown and alloyed contact regions remain structurally intact after prolonged high temperature exposure with no visible degradation in crystallinity or metal composition.

Physics↗
DOE OSTI2024

17.2% Efficient CdSexTe1−x solar cell with (InxGa1−x)2O3 emitter on lightweight and flexible glass

High-efficiency, lightweight, and flexible solar cells are sought for a variety of applications particularly when high power density and flexible form factors are desired. Development of solar cells on flexible substrates may also offer production advantages in roll-to-roll or sheet-to-sheet processes. Here, we report device efficiencies of 17.2% and 14.6%, under AM1.5G and AM0 irradiances, respectively, for a flexible, lightweight, CdTe-based solar cell. To advance the efficiency relative to the highest previously reported AM1.5G value of 16.4%, we used an indium gallium oxide (IGO) emitter layer on a cadmium stannate (CTO) transparent conductor, which was deposited on 100-μm thick Corning® Willow® Glass. A sputtered CdSe layer was employed to incorporate Se into a CdTe absorber that was deposited by close-space sublimation, and CuSCN was used as a hole transport layer between the CdTe and the back metal electrode. The IGO and CTO layers remained intact during the high temperature film processing as seen in cross-sectional imaging and elemental mapping. This device configuration offers great promise for building-integrated photovoltaics, space applications, and higher rate manufacturing.

Physics↗
DOE OSTI2024

Stability of the first-order character of phase transition in HoCo 2

HoCo 2 exhibits a giant magnetocaloric (MC) effect at its first-order magnetostructural phase transition around 77 K, and understanding the thermodynamic nature of this transition in response to external magnetic fields is crucial for its MC applications. In this study, we present a comprehensive investigation of specific heat and magnetization measurements of HoCo 2 under varying magnetic fields. The specific heat measurements qualitatively indicate a transformation from first- to second-order behavior of this phase transition at higher magnetic fields. However, analysis of the power-law dependence of the magnetic entropy change (Δ S M ∝H n ) and the breakdown of universal behavior in the temperature dependence of Δ S M suggest that the first-order nature remains intact, even up to 7 T. This stability of the first-order nature is further manifested through the distinctive non-linear behavior of modified Arrott plots, with a negative slope in the 6–7 T range.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Conservative projection-based data-driven model order reduction of a fluid-kinetic spectral solver

Kinetic simulations are computationally intensive due to six-dimensional phase space discretization. Many kinetic spectral solvers use the asymmetrically weighted Hermite expansion due to its conservation and fluid-kinetic coupling properties, i.e., the lower-order Hermite moments capture and describe the macroscopic fluid dynamics, and higher-order Hermite moments describe the microscopic kinetic dynamics. We leverage this structure by developing a parametric data-driven reduced-order model based on the proper orthogonal decomposition, which projects the higher-order kinetic moments while retaining the fluid moments intact. We demonstrate analytically and numerically that the method ensures local and global mass, momentum, and energy conservation. The numerical results show that the proposed method effectively replicates the high-dimensional spectral simulations at a fraction of the computational cost and memory, as validated on the weak Landau damping and two-stream instability benchmark problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Interplay of Kondo physics with incommensurate charge density waves in CeTe 3

CeTe 3 is a 2-dimensional (2D) Van der Waals (VdW) material with incommensurate charge density waves (CDW), extremely high transition temperature (T CDW ), and a large momentum-dependent CDW gap that leaves a significant portion of the Fermi surface intact. It is also considered to be a weak Kondo system, a property unexpected for a material with incommensurate CDW, where each atomic site is slightly different. Here, we study the properties of the CDW state in several RTe3 (R is rare earth) materials and examine the hybridization of itinerant states with the localized Ce 4f multiplet in CeTe 3 by using angle resolved photoemission spectroscopy. We find that the renormalization of the itinerant states originating from the hybridization with the deeper localized 4f states at −260 meV is k−dependent and extends to the Fermi level. As these localized states are far from the Fermi level, the observed hybridization affects the effective masses only marginally and does not lead to heavy fermions. However, since the same renormalizing mechanism normally leads to the heavy fermion physics when the localized 4f states are near the Fermi level, our observation of its strong k−dependence suggests that this could be the reason for discrepancy between the heavy masses in specific heat and light ones in Shubnikov de Haas oscillations, often observed in heavy fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nebulin stiffens the thin filament and augments cross-bridge interaction in skeletal muscle

Nebulin is a giant sarcomeric protein that spans along the actin filament in skeletal muscle, from the Z-disk to near the thin filament pointed end. Mutations in nebulin cause muscle weakness in nemaline myopathy patients, suggesting that nebulin plays important roles in force generation, yet little is known about nebulin’s influence on thin filament structure and function. Here, we used small-angle X-ray diffraction and compared intact muscle deficient in nebulin (using a conditional nebulin-knockout, Neb cKO) with control (Ctrl) muscle. When muscles were activated, the spacing of the actin subunit repeat (27 Å) increased in both genotypes; when converted to thin filament stiffness, the obtained value was 30 pN/nm in Ctrl muscle and 10 pN/nm in Neb cKO muscle; that is, the thin filament was approximately threefold stiffer when nebulin was present. In contrast, the thick filament stiffness was not different between the genotypes. A significantly shorter left-handed (59 Å) thin filament helical pitch was found in passive and contracting Neb cKO muscles, as well as impaired tropomyosin and troponin movement. Additionally, a reduced myosin mass transfer toward the thin filament in contracting Neb cKO muscle was found, suggesting reduced cross-bridge interaction. Here, we conclude that nebulin is critically important for physiological force levels, as it greatly stiffens the skeletal muscle thin filament and contributes to thin filament activation and cross-bridge recruitment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Coupling of Ca 2+ and voltage activation in BK channels through the αB helix/voltage sensor interface

Large-conductance Ca 2+ and voltage-activated K + (BK) channels control membrane excitability in many cell types. BK channels are tetrameric. Each subunit is composed of a voltage sensor domain (VSD), a central pore-gate domain, and a large cytoplasmic domain (CTD) that contains the Ca 2+ sensors. While it is known that BK channels are activated by voltage and Ca 2+ , and that voltage and Ca 2+ activations interact, less is known about the mechanisms involved. In this work we explore these mechanisms by examining the gating contribution of an interface formed between the VSDs and the αB helices located at the top of the CTDs. Proline mutations in the αB helix greatly decreased voltage activation while having negligible effects on gating currents. Analysis with the Horrigan, Cui, and Aldrich model indicated a decreased coupling between voltage sensors and pore gate. Proline mutations decreased Ca 2+ activation for both Ca 2+ bowl and RCK1 Ca 2+ sites, suggesting that both high-affinity Ca 2+ sites transduce their effect, at least in part, through the αB helix. Mg 2+ activation also decreased. The crystal structure of the CTD with proline mutation L390P showed a flattening of the first helical turn in the αB helix compared to wild type, without other notable differences in the CTD, indicating that structural changes from the mutation were confined to the αB helix. These findings indicate that an intact αB helix/VSD interface is required for effective coupling of Ca 2+ binding and voltage depolarization to pore opening and that shared Ca 2+ and voltage transduction pathways involving the αB helix may be involved.

59 BASIC BIOLOGICAL SCIENCES↗