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DOE OSTI2026

Field-Coupled Water Splitting with Metal-Free Donor–Acceptor Covalent Organic-Framework Junctions

Advancing metal-free electrocatalysts for hydrogen and oxygen evolution reactions (HER/OER) across acidic and alkaline media requires coordinated control of intermediate binding thermodynamics, interfacial charge delivery, and near-electrode transport dynamics. Here, we design amide-linked benzene–triazine covalent organic frameworks (BTA/TzTA-Hz COFs) and integrate them with carbon nanotubes (CNTs) to form COF–CNT junctions that establish a built-in interfacial electric field. Density functional theory (DFT) and electrostatic potential maps indicate complementary active motifs, with benzene-proximal fragments associated with HER and triazine-proximal motifs associated with OER. CNT integration shifts the contact-potential difference by ≈0.20 V, while operando electrochemical impedance spectroscopy suggests partially separable high-frequency junction-charging and lower-frequency Faradaic/transport responses. A 300 mT static magnetic field lowers the HER and OER overpotentials by tens of millivolts. Under anodic bias, the effective interfacial charging capacitance increases, and Mott–Schottky analysis shows an apparent ∼0.15 V flat-band shift with an essentially unchanged slope. Together, these observations are consistent with field-perturbed interfacial charging and altered bias partitioning. Field-dependent impedance and bubble imaging are consistent with magnetohydrodynamic convection that promotes bubble detachment and near-electrode mass transport for both half-reactions, and they reveal an OER-specific high-frequency perturbation under anodic bias. Under field, the heterostructure reaches an OER onset overpotential of ∼261 mV and requires an overpotential of 366 mV at 10 mA cm –2 in alkaline electrolyte. These results illustrate how reticular-framework chemistry, junction engineering, and both built-in and applied fields can program reactivity through interfacial electrostatics and near-electrode transport in organic-framework electrocatalysts.

Garcia-Enriquez, Lissette [Univ. of Texas at El Pa↗

DOE OSTI2025

Contact with Electrically Conductive Inert Solids Alters Intrinsic Heterogeneous Brønsted Acid Catalysis

Interfacial electric fields at heterogeneous catalyst surfaces have been demonstrated to alter kinetics of liquid-phase reactions. In these systems, electric fields are generated from applying a potential to the catalyst through connection to a potentiostat or through electron transfer from redox-active species in solution. Here, we demonstrate that catalyst polarization can also occur by simply contacting electrically conductive inert solids, leading to the counterintuitive conclusion that a catalyst particle touching an inert solid can alter intrinsic reaction rates. Using dehydration of 1-methylcyclopentanol to 1-methylcyclopentene catalyzed by Brønsted-acidic carboxylic acid groups on carbon nanotubes as a proof-of-concept probe reaction, we show that catalyst contact with inert, thermally reduced carbon nanotubes leads to order-of-magnitude changes in reaction rate. Furthermore, we demonstrate that these contact-induced effects can also be observed under standard laboratory reaction conditions, where particle-to-particle contact in stirred catalyst powder suspensions is sufficient to demote rates by ∼8-fold. This work provides the foundation for a new method of reaction rate control, which could have implications whenever heterogeneous catalyst particles are in contact with inert materials for liquid-phase reactions in the presence of electrolyte.

Alcohols↗

DOE OSTI2022

Record >10 MV/cm mesa breakdown fields in Al 0.85 Ga 0.15 N/Al 0.6 Ga 0.4 N high electron mobility transistors on native AlN substrates

The ultra-wide bandgap of Al-rich AlGaN is expected to support a significantly larger breakdown field compared to GaN, but the reported performance thus far has been limited by the use of foreign substrates. In this Letter, the material and electrical properties of Al 0.85 Ga 0.15 N/Al 0.6 Ga 0.4 N high electron mobility transistors (HEMT) grown on a 2-in. single crystal AlN substrate are investigated, and it is demonstrated that native AlN substrates unlock the potential for Al-rich AlGaN to sustain large fields in such devices. We further study how Ohmic contacts made directly to a Si-doped channel layer reduce the knee voltage and increase the output current density. High-quality AlGaN growth is confirmed via scanning transmission electron microscopy, which also reveals the absence of metal penetration at the Ohmic contact interface and is in contrast to established GaN HEMT technology. Two-terminal mesa breakdown characteristics with 1.3 μm separation possess a record-high breakdown field strength of ~11.5 MV/cm for an undoped Al 0.6 Ga 0.4 N-channel layer. The breakdown voltages for three-terminal devices measured with gate-drain distances of 4 and 9 μm are 850 and 1500 V, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1988

Acoustic levitation technique for containerless processing at high temperatures in space

High temperature processing of a small specimen without a container has been demonstrated in a set of experiments using an acoustic levitation furnace in the microgravity of space. This processing technique includes the positioning, heating, melting, cooling, and solidification of a material supported without physical contact with container or other surface. The specimen is supported in a potential energy well, created by an acoustic field, which is sufficiently strong to position the specimen in the microgravity environment of space. This containerless processing apparatus has been successfully tested on the Space Shuttle during the STS-61A mission. In that experiment, three samples wer successfully levitated and processed at temperatures from 600 to 1500 C. Experiment data and results are presented.

Rey, Charles A.↗

DOE OSTI2022

Localized interlayer excitons in MoSe 2 –WSe 2 heterostructures without a moiré potential

Interlayer excitons (IXs) in MoSe 2 –WSe 2 heterobilayers have generated interest as highly tunable light emitters in transition metal dichalcogenide (TMD) heterostructures. Previous reports of spectrally narrow (<1 meV) photoluminescence (PL) emission lines at low temperature have been attributed to IXs localized by the moiré potential between the TMD layers. We show that spectrally narrow IX PL lines are present even when the moiré potential is suppressed by inserting a bilayer hexagonal boron nitride (hBN) spacer between the TMD layers. We compare the doping, electric field, magnetic field, and temperature dependence of IXs in a directly contacted MoSe 2 –WSe 2 region to those in a region separated by bilayer hBN. The doping, electric field, and temperature dependence of the narrow IX lines are similar for both regions, but their excitonic g-factors have opposite signs, indicating that the origin of narrow IX PL is not the moiré potential.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Exploration of A Magma-Sediment Hydrothermal System on Earth: Constraints on the Habitability Potential of Martian Noachian Hydrothermal Systems

The martian crust is predominantly composed of basalt [1] and hosts a large variety of alteration materials caused by wide-ranging processes from volcanic hydrothermal processes to sedimentary and post-magmatic (e.g., see [2] and reference within). Specifically, there is an abundance of evidence that water previously flowed on Mars, ranging from ancient stream beds [3], lake basins [4], sedimentary fans in Jezero crater [5, 6], and clay minerals [7]. These secondary minerals have been observed by landers and rovers [2], from orbit [8], and in martian meteorites [9-11]. Along with low temperature alteration, high temperature hydrothermal systems from volcanic processes, as well as meteorite impacts, should have been present [12,13]. However, finding evidence of high-temperature hydrothermal activity has been challenging. To better understand these processes on Mars, Earth analogs can be used and then compared to potential scenarios and locations on Mars. Therefore, here we investigate a mafic dike and the surrounding metamorphic contact zone that has been hydrothermally altered from contact with ground water as it was emplaced. We will also compare our results to previous work on Robbers Roost Dike, an older mafic dike near our field location that intruded a similar protolith causing a potentially habitable hydrothermal system [14. 15].

R A Slank↗

NASA NTRS1991

Non-Gaussian microwave background fluctuations from nonlinear gravitational effects

Whether the statistics of primordial fluctuations for structure formation are Gaussian or otherwise may be determined if the Cosmic Background Explorer (COBE) Satellite makes a detection of the cosmic microwave-background temperature anisotropy delta T(sub CMB)/T(sub CMB). Non-Gaussian fluctuations may be generated in the chaotic inflationary model if two scalar fields interact nonlinearly with gravity. Theoretical contour maps are calculated for the resulting Sachs-Wolfe temperature fluctuations at large angular scales (greater than 3 degrees). In the long-wavelength approximation, one can confidently determine the nonlinear evolution of quantum noise with gravity during the inflationary epoch because: (1) different spatial points are no longer in causal contact; and (2) quantum gravity corrections are typically small-- it is sufficient to model the system using classical random fields. If the potential for two scalar fields V(phi sub 1, phi sub 2) possesses a sharp feature, then non-Gaussian fluctuations may arise. An explicit model is given where cold spots in delta T(sub CMB)/T(sub CMB) maps are suppressed as compared to the Gaussian case. The fluctuations are essentially scale-invariant.

Salopek, D. S.↗

DOE OSTI2023

Role of three-body dynamics in nucleon-deuteron correlation functions

Correlation functions of hadrons can be accessed in high-energy collisions of atomic nuclei, revealing information about the underlying interaction. This work complements experimental efforts to study nucleon-deuteron Nd—with N=p (proton) or N=n (neutron)—correlations with theory evaluations using different techniques. The correlation functions C nd and C pd are calculated based on a scattering wave function, extending previous benchmarks for the Nd scattering matrix to this new observable. We use hyperspherical harmonics and Faddeev techniques with one of the widely used nucleon-nucleon (NN) interactions, the Argonne v18 potential. Moreover, in the low-energy region we perform additional calculations in the framework of pionless effective field theory. The pd correlation function is computed in the large-energy region to make contact with a recent measurement by the ALICE Collaboration. We show that the scattering wave function has the proper dynamical input to describe an initial rise and subsequent oscillations of C pd as a function of the energy. Effects on the observables using different NN and three-nucleon potentials are evaluated with the conclusion that variations of around 2% are observed. Although these effects are small, future measurements can go beyond this accuracy, allowing for new detailed studies of strong interaction in light nuclear systems. Furthermore, the present study supports the current efforts devoted to the measurement of correlation functions in systems dominated by the strong interactions, such as pd, ppp, Λd, and ppΛ.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

Progress in Magnetic Gearing for Aeronautics and Space Applications

Magnetic gears harness the magnetic force between non-contacting sets of permanent magnets. They achieve a gear ratio through the geometry and constrained motion of the magnets or the transformation of the magnetic fields by carefully shaped soft magnetic material. Their non-contact nature eliminates the need for gear lubrication and the wear mechanisms associated with mechanical contact. Magnetic gears have the potential to reduce the strong, tonal vibration and noise that is inherent to mechanical gears. Magnetic gears are also easily integrated into electric machines because they rely on the same physics and utilize the same materials and many of the same components. For these reasons and the invention of higher performing magnetic gear configurations over the past 20 years, magnetic gears have received growing attention for aerospace applications. This presentation summarizes the motivation for studying magnetic gears and the progress made in developing the technology to meet the demanding requirements of aerospace applications. The focus is on the development completed and ongoing at NASA, but SBIR projects in the field are summarized. The discussion focuses on the application of magnetic gears and magnetically-geared motors in electrified aircraft propulsion systems and actuation systems for space mechanisms. The NASA work includes the design, optimization, and testing of magnetic gears and magnetically-geared motors for electrified vertical takeoff and landing aircraft and the design and ambient environment testing of a magnetically-geared actuator for use in extremely cold and dusty space environments. The presentation concludes with thoughts on the technical barriers to adoption and potentially fruitful topics for future research.

Justin J. Scheidler↗

DOE OSTI2020

Many-body factorization and position–momentum equivalence of nuclear short-range correlations

While mean-field approximations, such as the nuclear shell model, provide a good description of many bulk nuclear properties, they fail to capture the important effects of nucleon–nucleon correlations such as the short-distance and high-momentum components of the nuclear many-body wave function1. Here, we study these components using the effective pair-based generalized contact formalism and ab initio quantum Monte Carlo calculations of nuclei from deuteron to 40 Ca. We observe a universal factorization of the many-body nuclear wave function at short distance into a strongly interacting pair and a weakly interacting residual system. The residual system distribution is consistent with that of an uncorrelated system, showing that short-distance correlation effects are predominantly embedded in two-body correlations. Spin- and isospin-dependent ‘nuclear contact terms’ are extracted in both coordinate and momentum space for different realistic nuclear potentials. The contact coefficient ratio between two different nuclei shows very little dependence on the nuclear interaction model. These findings thus allow extending the application of mean-field approximations to short-range correlated pair formation by showing that the relative abundance of short-range pairs in the nucleus is a long-range (that is, mean field) quantity that is insensitive to the short-distance nature of the nuclear force.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Long-lived photoinduced polar states in metal halide perovskites

Ferroic polarization in hybrid perovskites is crucial for enhancing photovoltaic performance and developing potential electronic applications. Controlling ferroic polarization with an optical field enables probing of ferroic polarization without the unwanted interface ionic effects caused by electronic contacts. This study employs ultrafast near-infrared photoexcitation to control dynamic structural transitions in soft single crystalline hybrid Cu (II) halide perovskites, achieving a long-lived polar state (beyond 104 s) at room temperature. We probe reversible long-lived polar domains under near-infrared photoexcitation using in-situ second harmonic generation microscopy. Theoretical calculation informs the polar lattice microstrain likely induced by anisotropic structure deformation in octahedral copper halide under near-infrared photoexcitation. The reversible slow structure deformation is further confirmed by in-situ photo-induced X-ray diffraction measurement. This work provides a material platform for understanding, controlling, and probing polarization under photoexcitation. Our methodology enables the identification of previously undiscovered polar phases in ferroelectric halide perovskites.

Dou, Yixuan↗

DOE OSTI2022

Renormalization of one-pion exchange in chiral effective field theory for antinucleon-nucleon scattering

The renormalization of iterated one-pion exchange (OPE) is studied in Chiral Effective Field Theory ($\chi$EFT) for the antinucleon-nucleon ($\overline{N}N$) system. The OPE potential is cut off at a certain distance and contact interactions are represented by a complex spherical well with the same radius. We investigate the dependence on the cutoff radius of the phase shifts, inelasticities, and mixing angles for the low partial waves in $\overline{N}N$ scattering. We show that renormalization requires additional contact interactions compared to the expectation based on naive dimensional analysis. Results after renormalization are compared with the state-of-the-art energy-dependent partial-wave analysis of $\overline{N}N$ data. We compare our conclusions with applications of $\chi$EFT to the nucleon-nucleon system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Ambipolar Transport in Polycrystalline GeSn Transistors for Complementary Metal-Oxide-Semiconductor Applications

Group-IV alloy GeSn is a promising material for electronic and optoelectronic applications due to its compatibility with both Si substrates and established Si fabrication processes. This study focuses on polycrystalline GeSn (10% Sn), which offers a cost-effective, large-area, and versatile alternative to epitaxial GeSn. We demonstrate ambipolar transport behavior in polycrystalline GeSn thin film transistors, achieving electron and hole field-effect mobilities reaching up to 0.05 cm 2 /Vs and 2.05 cm 2 /Vs, respectively. Through temperature-dependent analysis, we elucidate the underlying mechanism of this phenomenon, which we attribute to quantum tunneling between the Schottky barrier contact and the channel, as well as potential barriers between the grain boundaries of this polycrystalline film, thereby advancing the understanding of polycrystalline GeSn's electrical properties. Furthermore, this work highlights the potential of ambipolar transport as a technique to employ towards the development of GeSn complementary metal-oxide-semiconductor field-effect transistors, promising to simplify and reduce the cost of GeSn manufacturing processes for edge computing and sensing applications.

42 ENGINEERING↗

DOE OSTI2022

Investigations in the tape-to-tape contact resistance and contact composition in superconducting CORC ® wires

Conductor on Round Core (CORC®) wires and cables, constructed from multiple layers of helically wound REBa 2 Cu 3 O 7–δ tapes, are a promising cable technology for high field magnet applications. An important feature of high-temperature superconductor cables is the ability to share current between conductors, allowing current to bypass drops in I c and minimizing the risk of hot spot formation, which could lead to potential burnout in the superconductor. In contrast to stacked-tape cables, which have continuous contact between tapes, in CORC® the transfer points occur at discrete tape crossovers. The tape-to-tape contact resistance, R c , plays a critical role in the current sharing capabilities and current distribution in cables. For the work reported here, special CORC® wires were manufactured using different winding parameters to investigate variations in R c . Variations comprised inclusion of a lubricant, different lubricant conductivity, inclusion of pre-tinning, and heating briefly to melt the solder. Cables were first tested as straight lengths, followed by bending to a 10 cm diameter. In straight cables R c values ranged from 1 to over 1000 μΩ cm 2 , depending on cabling parameters, with the highest values being found for cables made by the present 'standard' process. Bending the cables to a 10 cm diameter decreased R c by a factor 2–5. Tinning with PbSn decreased R c by three orders of magnitude compared to standard CORC® wires, and heat treating wires with tinned conductor resulted in only a small further decrease in R c . Based on the measured R c at an electric field of 1 μV cm –1 the resulting current transfer length between layers can range from a few millimeters to a tens of centimeters. Examination of contacts with a laser confocal microscope showed plastic deformation of the copper at the edges of the contact overlap area, apparently caused by thicker plating at tape edges digging into the copper of neighboring layers. These images reveal that only a fraction of the total contact surface may actually be touching when there is nothing to compensate for height differential. Images of the PbSn coated tapes indicated that application of solder produces a much more uniform contact surface and higher contact area. Furthermore, imaging of CORC® cross-sections confirmed that in the non-tinned cables there are many regions where tapes are not in contact, while in contrast the PbSn cable shows significantly more contact between the tapes. These different imaging techniques reveal that tape surface morphology is a significant parameter in determining R c .

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1993

Ionospheric plasma flow about a system of electrically biased flat plates

The steady state interaction of two electrically biased parallel plates immersed in a flowing plasma characteristic of low earth orbit is studied numerically. Fluid equations are developed to describe the motion of the cold positively charged plasma ions, and are solved using finite-differences in two dimensions on a Cartesian grid. The behavior of the plasma electrons is assumed to be described by the Maxwell-Boltzmann distribution. Results are compared to an analytical and a particle simulation technique for a simplified flow geometry consisting of a single semi-infinite negatively biased plate. Comparison of the extent of the electrical disturbance into the flowing plasma and the magnitude of the current collected by the plate is very good. The interaction of two equally biased parallel plates is studied as a function of applied potential. The separation distance at which the current collected by either plate decreases by five and twenty percent is determined as a function of applied potential. The percent decreases were based on a non-interacting case. The decrease in overall current is caused by a decrease in ionic density in the region between the plates. As the separation between the plates decreases, the plates collect the ions at a faster rate than they are supplied to the middle region by the oncoming plasma flow. The docking of spacecraft in orbit is simulated by moving two plates of unequal potential toward one another in a quasi-static manner. One plate is held at a large negative potential while the other floats electrically in the resulting potential field. It is found that the floating plate does not charge continuously negative as it approaches the other more negatively biased plate. Instead, it charges more and then less negative as ionic current decreases and then increases respectively upon approach. When the two plates come into contact, it is expected that the electrically floating plate will charge rapidly negative to a potential near that of the other plate.

Herr, Joel L.↗

DOE OSTI2024

Field‐representative evaluation of PID‐polarization in TOPCon PV modules by accelerated stress testing

Abstract Potential‐induced degradation‐polarization (PID‐p) can reduce module power, but how to project the extent to which PID‐p may occur in field conditions considering the factors of system voltage, condensed moisture, temperature, and illumination has not been clarified. Using tunnel oxide passivated contact (TOPCon) modules, this work demonstrates a method to test full‐size crystalline silicon PV modules for PID‐p to provide field‐representative results. In initial screening tests with positive or negative 1000 V electrical bias applied at 60°C for 96 h using Al foil electrodes on the glass surfaces, the module type exhibited reversible PID‐p only on the front face when the cell circuit was in negative voltage potential. No PID was detected on the rear after testing in either polarity. We then evaluated the PID‐p sensitivity on the front side under different UV irradiances while maintaining the glass surface wet to estimate real‐world susceptibility to PID‐p. The magnitude of the observed behavior was fit using a previously developed charge transfer and depletion by light model. Whereas power loss with −1000 V applied to the cell circuit at 60°C for 96 h in the dark was about 30%, testing the module front under 0.051 W·m −2 nm −1 at 340 nm UVA irradiation using fluorescent tubes, the mean degradation was only 3%. When the modules were tested in the dark for PID‐p with in situ dark current–voltage (I‐V) characterization, the thermal activation energy for degradation was 0.71 eV; for recovery in the dark, it was 0.58 eV. Whereas recovery from the degraded state at 60°C in the dark without voltage bias was 5% absolute in 38 h, rapid recovery of about 5% absolute was observed with 1000 W·s/m 2 exposure at 25°C using a flash tester.

14 SOLAR ENERGY↗

DOE OSTI2022

Two-pion exchange as a leading-order contribution in chiral effective field theory

Pion exchange is the central ingredient to nucleon-nucleon interactions used in nuclear structure calculations, and one-pion exchange (OPE) enters at leading order in chiral effective field theory. In the 2S+1 L J = 1 S 0 partial wave, however, OPE and a contact term needed for proper renormalization fail to produce the qualitative, and quantitative, features of the scattering phase shifts. Cutoff variation also revealed a surprisingly low breakdown momentum Λ b ≈ 330 MeV in this partial wave. Here we show that potentials consisting of OPE, two-pion exchange (TPE), and a single contact address these problems and yield accurate and renormalization group (RG) invariant phase shifts in the 1 S 0 partial wave. Here, we demonstrate that a leading-order potential with TPE can be systematically improved by adding a contact quadratic in momenta. For momentum cutoffs Λ ≲ 500 MeV, the removal of relevant physics from TPE loops needs to be compensated by additional contacts to keep RG invariance. Inclusion of the Δ isobar degree of freedom in the potential does not change the strong contributions of TPE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1999

Tribological Characteristics and Applications of Superhard Coatings: CVD Diamond, DLC, and c-BN

Results of fundamental research on the tribological properties of chemical-vapor-deposited (CVD) diamond, diamondlike carbon, and cubic boron nitride films in sliding contact with CVD diamond in ultrahigh vacuum, dry nitrogen, humid air, and water are discussed. Furthermore, the actual and potential applications of the three different superhard coatings in the field of tribology technology, particularly for wear parts and tools, are reviewed.

Miyoshi, Kazuhisa↗