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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 739 records · Page 41

The Dynamics of Oxygen Ion Exchange in Epitaxial Strontium Cobaltite Bilayers

Abstract The exchange of ions across interfaces is key to the field of iontronics, where the properties of the device can be altered by the local ion concentration. This study investigates a complex oxide system where structural and electronic phase transitions can be driven by changes in the concentration of oxygen ions. In situ coherent X‐ray studies are conducted on epitaxial bilayers of insulating SrCoO 2.5 and metallic SrCoO 3 − δ . The diffusion of oxygen ions across the bilayer is studied with X‐ray photon correlation spectroscopy to capture the dynamical behavior of the interface in reducing and oxidizing environments. The behavior is strongly asymmetric, with much slower dynamics appearing in reducing versus oxidizing environments. According to the correlation functions determined from different points in reciprocal space, this study finds that the dynamics near the center of the SrCoO 2.5 crystal are generally similar to those near the heterointerfaces. The results suggest that the interface is stable and reversible, making SrCoO x a model system for the study of iontronic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Co‐Doping Approach for Enhanced Electron Extraction to TiO 2 for Stable Inorganic Perovskite Solar Cells

Inorganic perovskite CsPbI 3 solar cells hold great potential for improving the operational stability of perovskite photovoltaics. However, electron extraction is limited by the low conductivity of TiO 2 , representing a bottleneck for achieving stable performance. In this study, a co‐doping strategy for TiO 2 using Nb(V) and Sn(IV), which reduces the material's work function by 80 meV compared to Nb(V) mono‐doped TiO 2 , is introduced. To gain fundamental understanding of the processes at the interfaces between the perovskite and charge‐selective layer, transient surface photovoltage measurements are applied, revealing the beneficial effect of the energetic and structural modification on electron extraction across the CsPbI 3 /TiO 2 interface. Using 2D drift‐diffusion simulations, it is found that co‐doping reduces the interface hole recombination velocity by two orders of magnitude, increasing the concentration of extracted electrons by 20%. When integrated into n–i–p solar cells, co‐doped TiO 2 enhances the projected T S80 lifetimes under continuous AM1.5G illumination by a factor of 25 compared to mono‐doped TiO 2 . This study provides fundamental insights into interfacial charge extraction and its correlation with operational stability of perovskite solar cells, offering potential applications for other charge‐selective contacts.

14 SOLAR ENERGY↗

Long-Term Stability of PVD/Sputtered Au Electrical Contacts to Thermoelectric Bi 2 Te 2 : Re-evaluation of SAND2015-7203

The fabrication of long-lived electrical contacts to thermoelectric Bi 2 Te 3 -based modules is a challenging problem due to chemical incompatibilities and rapid diffusion rates. Previously, technical guidance from SAND report 2015-7203 selected electroplated Au as the preferred method for fabrication of long-lived contacts because of concerns that the grain structure of sputtered/physical vapor deposited (PVD) Au contacts can evolve during aging. We have re- evaluated PVD Au contacts and show that they are appropriate for long-life service. We measure grain size and morphology at different aging times under accelerated temperature gradient conditions, and we show that the PVD Au contacts are stable and remain relatively unchanged. The PVD Au fabricated here is not subject to the deterioration observed in the previous report.

36 MATERIALS SCIENCE↗

VPS45 is required for both diffuse and tip growth of Arabidopsis thaliana cells

Introduction VPS45 belongs to the Sec1/Munc18 family of proteins, which interact with and regulate Qa-SNARE function during membrane fusion. We have shown previously that Arabidopsis thaliana VPS45 interacts with the SYP61/SYP41/VTI12 SNARE complex, which locates on the trans -Golgi network (TGN). It is required for SYP41 stability, and it functions in cargo trafficking to the vacuole and in cell expansion. It is also required for correct auxin distribution during gravitropism and lateral root growth. Results As vps45 knockout mutation is lethal in Arabidopsis, we identified a mutant, vps45-3 , with a point mutation in the VPS45 gene causing a serine 284-to-phenylalanine substitution. The VPS45-3 protein is stable and maintains interaction with SYP61 and SYP41. However, vps45-3 plants display severe growth defects with significantly reduced organ and cell size, similar to vps45 RNAi transgenic lines that have reduced VPS45 protein levels. Root hair and pollen tube elongation, both processes of tip growth, are highly compromised in vps45-3 . Mutant root hairs are shorter and thicker than those of wild-type plants, and are wavy. These root hairs have vacuolar defects, containing many small vacuoles, compared with WT root hairs with a single large vacuole occupying much of the cell volume. Pollen tubes were also significantly shorter in vps45-3 compared to WT. Discussion We thus show that VPS45 is essential for proper tip growth and propose that the observed vacuolar defects lead to loss of the turgor pressure needed for tip growth.

59 BASIC BIOLOGICAL SCIENCES↗

Metrics of Balance Control for Use in Screening Tests of Vestibular Function

Decrements in balance control have been documented in astronauts after space flight. Reliable measures of balance control are needed for use in postflight field tests at remote landing sites. Diffusion analysis (DA) is a statistical mechanical tool that shows the average difference of the dependent variable on varying time scales. These techniques have been shown to measure differences in open-loop and closed-loop postural control in astronauts and elderly subjects. The goal of this study was to investigate the reliability of these measures of balance control. Eleven subjects were tested using the Clinical Test of Sensory Interaction on Balance: the subject stood with feet together and arms crossed on a stable or compliant surface, with eyes open or closed and with or without head movements in the pitch or yaw plane. Subjects were instrumented with inertial motion sensors attached to their trunk segment. The DA curves for linear acceleration measures were characterized by linear fits measuring open- (Ds) and closed-loop (Dl) control, and their intersection point (X-int, Y-int). Ds and Y-int showed significant differences between the test conditions. Additionally, Ds was correlated with the root mean square (RMS) of the signal, indicating that RMS was dominated by open-loop events (< 0.5 seconds). The Y-int was found to be correlated with the average linear velocity of trunk movements. Thus DA measures could be applied to derive reliable metrics of balance stability during field tests.

Fiedler, Matthew↗

TiO 2 /TiN Interface Enables Integration of Ni 5 P 4 Electrocatalyst with a III–V Tandem Photoabsorber for Stable Unassisted Solar-Driven Water Splitting

H 2 production by direct photoelectrochemical (PEC) water splitting has remained unachievable commercially, mainly due to rapid failure at the interface between the photoabsorber(s) and catalyst(s). PEC devices made from multijunction III-V semiconductors with platinum group metal (PGM) catalysts have yielded impressive initial solar-to-H 2 (STH) efficiency >19%, which rapidly corrodes in aqueous electrolytes. Here, TiO 2 /TiN layers were fused to create a bifunctional interface between a GaInP 2 /GaAs III-V tandem photoabsorber and a polycrystalline Ni 5 P 4 HER catalyst. Here, the TiO 2 serves as a conducting corrosion barrier, while a thin layer of much denser TiN (1 nm) blocks interlayer diffusion during fabrication. This strategy allows the elevated temperatures needed to crystallize the Ni 5 P 4 nanoparticles and fuse to the TiO 2 /TiN junction to achieve minimal optical loss without damaging the sensitive photoasbsorber. The resulting photocathode exhibits an initial STH efficiency of 11.4%-13.2% in sodium phosphate electrolyte at neutral pH 7. It operated continuously for over 200 h without failure above 10% STH efficiency, exceeding all previous benchmarks. The earth-abundant Ni 5 P 4 catalyst replaces costly PGM catalysts at comparable HER activity in neutral, acidic, or basic pH electrolytes.

08 HYDROGEN↗

Enabling technologies for the continuous electrically driven conversion of CO 2 and water to multi-carbon products at high current densities

Here, we demonstrate greatly improved conversion of CO 2 using a gas diffusion electrode (GDE) with flowing electrolyte configuration for CO 2 gas delivery in combination with a high surface area nickel phosphide electrocatalyst. This configuration achieves 40–50% selectivity for total carbon products over H 2 formation (HER) at total current densities ranging from 50 to 300 mA cm -2 . We developed a soft-templating method using CTAB detergent micelles for synthesis of phase-pure Ni 2 P, achieving a 260-fold larger surface area (BET) and porous sponge-like morphology that produces stable currents. This catalyst produces mainly one C-product, methylglyoxal (MG, C 3 H 4 O 2 ) with 38–47% overall selectivity, the highest reported selectivity for a 12-electron reduction product. The versatile soft-templating method for electrocatalyst synthesis uses low-temperature (185 °C) that is permissive for incorporation of co-catalysts that are otherwise destroyed by the high temperatures used in traditional solid-state synthesis (SSS). The non-porous Ni 2 P-SSS catalyst produces mainly H 2 at these current densities. Achieving these high currents and C/H selectivity benefits from use of hydrophobic polymers as co-catalyst binders (cationic = Nafion, anionic = PFAEM and neutral = PTFE) to improve CO 2 conversion. PFAEM is the better ionomer for the CO 2 RR at high current density, postulated as due to suppressing CO 2 conversion to inactive bicarbonate. Precipitation of the carbon products as a polycarbonate polymer occurs at high currents.

36 MATERIALS SCIENCE↗

Turbulence kinetic energy budget and conditional sampling of momentum, scalar, and intermittency fluxes in thermally stratified wind farms

A description of the turbulence kinetic energy budget is investigated to understand the dynamics and turbulence energy transfer between the atmospheric boundary layer and large wind farms. The turbulence kinetic energy budget terms are a dominant factor in explaining the energy supply process in wind farms. Large eddy simulations are used to generate the thermally stratified wind turbine array boundary layer, where stable and unstable conditions are considered. The wakes represent a sink of mean kinetic energy, and turbulence transport redistributes energy in the wake region. The energy balance between the budget terms is dependent on the physical location in the wind farm. During the unstable scenario, turbulence is driven by the production, transport, and buoyancy terms. Further, the contribution of the turbulence kinetic energy budget terms is reduced with increasing atmospheric stability, especially above the shear layer, where the mechanical production is the dominant term. Pressure diffusion redistributes the turbulent energy from the streamwise direction into the other components of the normal Reynolds stresses. This distinctive feature of the changing thermal stratification is presented through the quadrant analysis. The momentum ejection and sweep frequencies are both comparable and dominant. The scalar flux shows an increase in the contribution of the negative correlation in the quadrants. The quadrant analysis is extended to account for intermittency based on the pointwise Holder exponents. As a result, positive correlations are dominant in the wake and in higher layers of the domain for both considered cases.

17 WIND ENERGY↗

The impact of helium on plasma-driven hydrogen permeation and implications for direct internal recycling in the fusion fuel cycle

Abstract Metal foil pumps (MFPs) are the leading technology for direct internal recycling (DIR) of hydrogen isotopes from the plasma exhaust in future fusion plants. MFPs rely on the concept of superpermeation, where superthermal H atoms directly absorb into the metal foil, rapidly diffuse, and desorb downstream. To date, studies of superpermeation have predominantly employed either pure hydrogen or in some cases trace levels of impurities. The plasma exhaust is expected to contain just ∼1% helium, but in DIR the source gas would be enriched in helium as hydrogen isotopes are extracted. In this work, we explore the impact of helium on hydrogen superpermeation at low temperature (75 °C–200 °C) using Pd-based foils. To first order, the flux scaled linearly with the hydrogen mole fraction. Stable permeation was observed until the helium fraction reached ∼80%, where the flux began to decline slowly with time. In addition, short term (1–5 min) exposure to pure helium plasma significantly attenuated subsequent hydrogen plasma permeation, and the degree was more dramatic at elevated temperature. This attenuation was correlated with He retention in the foils, which was detected by time-of-flight secondary ion mass spectrometry at low levels (<0.1 at. %) and limited to the near surface (<10 nm). Similar trends were observed among all alloys (Pd, PdAg, PdCu), and the foils were restored to full performance with an Ar + sputter clean. The potential for helium plasma exposure to impact MFP performance under these conditions has not been previously reported, and these findings have significant implications to the design and implementation of practical DIR systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Long-Term Stability of PVD/Sputtered Au Electrical Contacts to Thermoelectric Bi 2 Te 2 (Re-evaluation of SAND2015-7203)

The fabrication of long-lived electrical contacts to thermoelectric Bi 2 Te 3 -based modules is a challenging problem due to chemical incompatibilities and rapid diffusion rates. Previously, technical guidance from SAND report 2015-7203 selected electroplated Au as the preferred method for fabrication of long-lived contacts because of concerns that the grain structure of sputtered/physical vapor deposited (PVD) Au contacts can evolve during aging. We have re-evaluated PVD Au contacts and show that they are appropriate for long-life service. We measure grain size and morphology at different aging times under accelerated temperature gradient conditions, and we show that the PVD Au contacts are stable and remain relatively unchanged. The PVD Au fabricated here is not subject to the deterioration observed in the previous report.

36 MATERIALS SCIENCE↗

The formation of spikes in the displacement of miscible fluids

We report on experiments in which a more viscous fluid displaces a less viscous one in a vertical cylindrical tube. These experiments were performed using silicone oils in a vertical pipette of small diameter. The more viscous fluid also had a slightly larger density than the less viscous fluid. In the initial configuration, the fluids were at rest, and the interface was nominally flat. A dye was added to the more viscous fluid for ease of observation of the interface between the fluids. The flow was initiated by pumping the more viscous fluid into the less viscous one. The displacement velocity was such that the Reynolds number was smaller than unity and the Peclet number for mass transfer between the fluids was large compared to unity. For upward displacement of the more viscous fluid from an initially stable configuration, an axisymmetric finger was observed under all conditions. However, a needle-shaped spike was seen to propagate from the main finger in many cases, similar to that observed by Petitjeans and Maxworthy for the displacement of a more viscous fluid by a less viscous one.

Rheology/methods↗

3D Columnar Phase of Stacked Short DNA Organized by Coherent Membrane Undulations

We report on the discovery of a new organized lipid-nucleic acid phase upon intercalation of blunt duplexes of short DNA (sDNA) within cationic multilayer fluid membranes. End-to-end interactions between sDNA leads to columnar stacks. At high membrane charge density, with the inter-sDNA column spacing (d sDNA ) comparable but larger than the diameter of sDNA, a 2D columnar phase (i.e., a 2D smectic) is found similar to the phase in cationic liposome-DNA complexes with long lambda-phage DNA. Remarkably, with increasing d sDNA as the membrane charge density is lowered, a transition is observed to a 3D columnar phase of stacked sDNA. This occurs even though direct DNA–DNA electrostatic interactions across layers are screened by diffusing cationic lipids near the phosphate groups of sDNA. Softening of the membrane bending rigidity (κ), which further promotes membrane undulations, significantly enhances the 3D columnar phase. These observations are consistent with a model by Schiessel and Aranda-Espinoza where local membrane undulations, due to electrostatically induced membrane wrapping around sDNA columns, phase lock from layer-to-layer, thereby precipitating coherent “crystal-like” undulations coupled to sDNA columns with long-range position and orientation order. The finding that this new phase is stable at large d sDNA and enhanced with decreasing κ is further supportive of the model where the elastic cost of membrane deformation per unit area around sDNA columns (∝ κh 2 /d sDNA 4 , h 2 = sum of square of amplitudes of the inner and outer monolayer undulations) is strongly reduced relative to the favorable electrostatic attractions of partially wrapped membrane around sDNA columns. Here, the findings have broad implications in the design of membrane-mediated assembly of functional nanoparticles in 3D.

59 BASIC BIOLOGICAL SCIENCES↗

Nuclear Physics in Space: What We Can Learn From Cosmic Rays

Studies and discoveries in cosmic-ray physics and generally in Astrophysics provide a fertile ground for research in many areas of Particle Physics and Cosmology, such as the search for dark matter, antimatter, new particles, and exotic physics, studies of the nucleosynthesis, origin of Galactic and extragalactic gamma-ray diffuse emission, formation of the large scale structure of the universe etc. In several years new missions are planned for cosmic-ray experiments, which will tremendously increase the quality and accuracy of cosmic-ray data. On the other hand, direct measurements of cosmic rays are possible in only one location on the outskirts of the Milky Way galaxy and present only a snapshot of very dynamic processes. It has been recently realized that direct information about the fluxes and spectra of cosmic rays in distant locations is provided by the Galactic diffuse gamma-rays, therefore, complementing the local cosmic-ray studies. A wealth of information is also contained in the isotopic abundances of cosmic rays, therefore, accurate evaluation of the isotopic production cross sections is of primary importance for Astrophysics of cosmic rays, studies of the galactic chemical evolution, and Cosmology. In this talk, I will show new results obtained with GALPROP, the most advanced numerical model for cosmic-ray propagation, which includes in a self-consistent way all cosmic-ray species (stable and long-lived radioactive isotopes from H to Ni, antiprotons, positrons and electrons, gamma rays and synchrotron radiation), and all relevant processes and reactions.

Moskalenko, Igor V.↗

Li Isotope Studies of Olivine in Mantle Xenoliths by SIMS

Variations in the ratio of the stable isotopes of Li are a potentially powerful tracer of processes in planetary and nebular environments [1]. Large differences in the 7Li/6Li ratio between the terrestrial upper mantle and various crustal materials make Li isotope composition a potentially powerful tracer of crustal recycling processes on Earth [2]. Recent SIMS studies of terrestrial mantle and Martian meteorite samples report intra-mineral Li isotope zoning [3-5]. Substantial Li isotope heterogeneity also exists within and between the components of chondritic meteorites [6,7]. Experimental studies of Li diffusion suggest the potential for rapid isotope exchange at elevated temperatures [8]. Large variations in 7Li, exceeding the range of unaltered basalts, occur in terrestrial mantle-derived xenoliths from individual localities [9]. The origins of these variations are not fully understood.

Bell, D. R.↗

Urban weather modeling using WRF: linking physical assumptions, code implementation, and observational needs

The Weather Research and Forecasting (WRF) model includes urban schemes that simulate the influence of urban surfaces on the atmosphere using parameterizations for flux, and radiative exchanges. Three core schemes – the Bulk urban parameterization, Single-Layer Urban Canopy Model (SLUCM), and Multi-Layer Urban Canopy Model (MLUCM) – represent increasing levels of complexity. Although the parameterizations within these urban schemes are described in the literature, their specific implementation remains poorly documented, thus slowing down model development efforts. This manuscript provides a roadmap to the three urban schemes in WRF version 4.5.2, presenting equations using the same symbols as in the model code, along with references to code lines, and including graphics and explanations that connect the code to its physical foundations. Our thorough review of the urban parameterizations implemented in WRF version 4.5.2 highlighted a handful of parameters that may introduce discontinuities in simulations: (i) in the SLUCM, a 1 mm h −1 rain rate threshold is employed to switch between two minimum moisture availability parameterizations, thus impacting latent heat flux calculations; (ii) in the SLUCM a threshold is used to partition shortwave radiation into direct and diffuse components; (iii) in all three urban schemes, the bulk Richardson number is employed to select the similarity function, which influences the vertical distribution of heat and momentum. We also identified a highly simplified treatment of the radiative balance on roof surfaces. The implications of these simplifications can be assessed through targeted observations across relevant conditions, including varying precipitation rates, cloud cover, and transitions between stability regimes. Furthermore, the widespread application of the Monin-Obukhov similarity theory in these urban schemes warrants model evaluation under highly stable and unstable conditions and in heterogeneous urban settings with variable land cover and building heights on scales finer than model resolution. To address these challenges, we offer guidance on observational strategies, emphasizing the need for multi-parametric measurements to capture potential compensating biases and multi-height measurements that align with the levels where quantities are diagnostic and prognosed in the model (i.e., the lowest atmospheric level of the WRF model). Finally, our inspection of the code revealed implementation bugs that have now been corrected in WRF versions 4.6.0 and 4.6.1. Sensitivity tests over the Atlanta urban area show that these corrections affect surface temperatures, underscoring the importance of performing rigorous documentation and verification of the implementation of parameterizations in model code.

54 ENVIRONMENTAL SCIENCES↗

Defects‐Induced In‐Plane Heterophase in Cobalt Oxide Nanosheets for Oxygen Evolution Reaction

Abstract Cobalt oxides as efficient oxygen evolution reaction (OER) electrocatalysts have received much attention because of their rich reserves and cheap cost. There are two common cobalt oxides, Co 3 O 4 (spinel phase, stable but poor intrinsic activity) and CoO (rocksalt phase, active but easily be oxidatized). Constructing Co 3 O 4 /CoO heterophase can inherit both characteristic features of each component and form a heterophase interface facilitating charge transfer, which is believed to be an effective strategy in designing excellent electrocatalysts. Herein, an atomic arrangement engineering strategy is applied to improve electrocatalytic activity of Co 3 O 4 for the OER. With the presence of oxygen vacancies, cobalt atoms at tetrahedral sites in Co 3 O 4 can more easily diffuse into interstitial octahedral sites to form CoO phase structure as revealed by periodic density functional theory computations. The Co 3 O 4 /CoO spinel/rocksalt heterophase can be in situ fabricated at the atomic scale in plane. The overpotential to reach 10 mA cm −2 of Co 3 O 4 /CoO is 1.532 V, which is 92 mV smaller than that of Co 3 O 4 . Theoretical calculations confirm that the excellent electrochemical activity is corresponding to a decline in average p ‐state energy of adsorbed‐O on the Co 3 O 4 /CoO heterophase interface. The reaction Gibbs energy barrier has been significantly decreased with the construction of the heterophase interface.

Liu, Zhijuan↗

Stationary edge flames in a wedge with hydrodynamic variable-density interaction

The behavior of nonpremixed edge flames to low and high strains in a wedge-shaped region are simulated and studied in detail. The chemistry is modeled by a one-step mechanism and transport by constant coefficient Fickian diffusion, as a qualitative model describing the physical mechanisms in the thermochemistry of combustion of hydrocarbon fuels. The reactive zero-Mach-number Navier-Stokes equations are used to describe the flow, both in a thermodiffusive regime (constant density) and a hydrodynamically-coupled regime (variable density). This configuration is an adaptation of the experimental opposed inclined jet geometry long used at the University of Southern California, but made stationary by the addition of a sink at the apex of the wedge. This crucial modification enables the stable presence of stationary edge flames, and it allows the study of advancing and retreating edge flames in the low and high strain regimes. The dependence of the edge flames speed on strain rate, stoichiometry, and Lewis numbers is discussed and compared to previous studies.

42 ENGINEERING↗

Understanding the Mechanism of Electronic Defect Suppression Enabled by Nonidealities in Atomic Layer Deposition

Silicon germanium (SiGe) is a multifunctional material considered for quantum computing, neuromorphic devices, and CMOS transistors. However, implementation of SiGe in nanoscale electronic devices necessitates suppression of surface states dominating the electronic properties. The absence of a stable and passive surface oxide for SiGe results in the formation of charge traps at the SiGe-oxide interface induced by GeOx. In an ideal ALD process in which oxide is grown layer by layer, the GeO x formation should be prevented with selective surface oxidation (i.e., formation of an SiO x interface) by controlling the oxidant dose in the first few ALD cycles of the oxide deposition on SiGe. However, in a real ALD process, the interface evolves during the entire ALD oxide deposition due to diffusion of reactant species through the gate oxide. In this work, this diffusion process in nonideal ALD is investigated and exploited: the diffusion through the oxide during ALD is utilized to passivate the interfacial defects by employing ozone as a secondary oxidant. Periodic ozone exposure during gate oxide ALD on SiGe is shown to reduce the integrated trap density (D it ) across the band gap by nearly 1 order of magnitude in Al 2 O 3 (<6 × 10 10 cm -2 ) and in HfO 2 (<3.9 × 10 11 cm -2 ) by forming a SiO x -rich interface on SiGe. Depletion of Ge from the interfacial layer (IL) by enhancement of volatile GeO x formation and consequent desorption from the SiGe with ozone insertion during the ALD growth process is confirmed by electron energy loss spectroscopy (STEM-EELS) and hypothesized to be the mechanism for reduction of the interfacial defects. In this work, the nanoscale mechanism for defect suppression at the SiGe-oxide interface is demonstrated, which is engineering of diffusion species in the ALD process due to facile diffusion of reactant species in nonideal ALD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗