Polyethylene glycol as a robust, biocompatible encapsulant for two-stage treatment of food and beverage wastewater
Polyethylene glycol beads encapsulating anaerobic microbes developed for on-site food and beverage wastewater treatment.
Engineering↗
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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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Selective deconstruction of mixed plastics by a tailored organocatalyst
The developed highly efficient and versatile organocatalyst can deconstruct multiple condensation polymers selectively and sequentially into corresponding monomers, while keeping other polymers such as polyolefins or cotton intact.
36 MATERIALS SCIENCE↗
An unwanted guest in the electrochemical oxidation of high-voltage Li-ion battery electrolytes: the life of highly reactive protons
Lithium-ion batteries (LIBs) are central to the urgent societal need to decarbonize both transportation and energy storage on the grid. Unfortunately, despite their attractive energy/power density, as well as high coulombic and energy efficiencies, further improvement of this technology – especially their durability – is desperately needed. To support these efforts, our study focuses on fundamental understanding of the decomposition pathways for LIB electrolytes at the cathode–electrolyte interface (CEI), as the nature of these reactions directly controls the extent to which cell capacity and voltage decays in these systems. In this study, we employ electrochemical methods, coupled with product analysis using NMR spectroscopy and mass spectrometry, to determine the decomposition mechanisms in both model and technologically relevant electrolytes. Remarkably, we discovered the electrochemical formation of protons with high chemical activity, comparable to known superacids, at potentials relevant to practical Li-ion batteries. Their reactivity toward every individual component of the CEI provides a unified thermochemical origin for a myriad of side reactions that are commonly associated with the electrochemical reaction. In particular, electrochemically generated protons react with intact EC molecules to form CO 2 and other short and long chain ethers. They also undergo an acid–base reaction with LiPF 6 , to form the weaker acid HF, and with the cathode active material, leaching transition metals into the electrolyte. Collectively, the results of this study all point to the urgent need to either mitigate this proton formation or introduce benign harvesting additives via new electrolyte design strategies.
Ilic, Stefan [Argonne National Laboratory (ANL), A↗
Chemical and morphological evolution of hybrid conversion coatings in low-Earth orbit space environment
Understanding how protective coatings respond to the harsh low-Earth orbit (LEO) environment is essential for ensuring the safety, longevity, and cost-effectiveness of spacecraft. In particular, identifying environmentally friendly, non-chromate alternatives that can maintain performance under such conditions has both technological and regulatory significance. This study investigates the environmental stability of zirconium-based hybrid conversion coatings with Cu additives (Cu10 and Cu20) applied to cold-rolled steel, tested in the Materials International Space Station Experiment (MISSE) outside the International Space Station (ISS). Chemical and morphological analyses were carried out using a combination of electron microscopy and X-ray spectroscopy techniques, including scanning electron microscopy (SEM), scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy (STEM-EDS), X-ray photoelectron spectroscopy (XPS), and X-ray absorption near-edge structure (XANES) spectroscopy. After exposure outside the ISS, all coatings remained structurally intact, with all exhibiting a uniform Zr-rich matrix and embedded Cu-rich clusters, while a thin Si-rich surface layer developed from interaction with space environments. Depth-resolved XPS showed a layered structure with CuO on the surface, Cu 2 O, and partial Zr(IV) reduction near Cu-rich sites, evidence of Atomic Oxygen (AO)-driven surface oxidation. These results demonstrate that Cu–Zr coatings maintain their chemical integrity and microstructure in harsh space environments, offering a non-chromate alternative for long-term aerospace protection. These insights provide valuable guidance for developing next-generation protective coatings that combine environmental sustainability with the reliability required for future aerospace and orbital applications.
36 MATERIALS SCIENCE↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗
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↗