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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 145 records · Page 8

Enhancing Chemical Stability and Suppressing Ion Migration in CH 3 NH 3 PbI 3 Perovskite Solar Cells via Direct Backbone Attachment of Polyesters on Grain Boundaries

Organic–inorganic halide perovskites feature excellent optoelectronic properties but poor chemical stability. While passivating perovskite grain boundary (GB) by polymers shows prospects on long-term performance of perovskite solar cells (PSCs), its detailed impact on the ion migration phenomenon, which largely deteriorates the PSC stability, remains less probed. In this work, we introduce a new polar polymer, polycaprolactone (PCL), to passivate GBs of methylammonium lead triiodide (MAPbI 3 ) perovskite with only 1–2 polymer monolayers via direct backbone attachment. The PSCs with passivated MAPbI 3 , using a classic but less stable Spiro-OMeTAD (2,2',7,7'-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene) hole transport layer (HTL), exhibit improved power conversion efficiencies up to 20.1%, with 90% of the initial PCE being preserved after 400 h ambient storage, and 80% even after 100 h, 85 °C aging. The improved PSC stability indicates critical roles of PCL GB passivation in retarding moisture-induced decomposition and suppressing ion migration within the perovskite. Furthermore, time-of-flight secondary ion mass spectrometry reveals that I– ions can actively migrate into the electrode, HTL, and their interface in nonpassivated PSCs, even without an externally applied electric field, while such migration is significantly mitigated in PCL-passivated PSCs. This effective GB passivation by PCL suggests an important potential of polymer additives toward the development of stable high-performance PSCs.

36 MATERIALS SCIENCE↗

UA'(1): The search for low-mass dark matter in liquid xenon / Infrared Light for Liquid Xenon TPCs

Liquid xenon-based time projection chambers are used in a variety of applications spanning from the search for dark matter or signals from coherent neutrino-nucleus scattering, to detectors used in medicine and for nuclear non-proliferation. Extending the useful energy range of these detectors down to lower energies will prove extremely useful for such applications. However, various sources of single- and few-electron backgrounds limit the utility of experiments such as LZ and XENONnT to searches of lighter dark matter articles in the MeV mass range. These same backgrounds also limit their utility to measure signals from coherent neutrino-nucleus scattering of solar boron-8 neutrinos and Galactic supernovae. This research worked on multiple mitigation strategies to reduce these backgrounds, through improved xenon purity, infrared irradiation, and an improved theoretical understanding. Multiple dedicated liquid xenon setups were built to execute those tests, and data was successfully taken. Liquid xenon purity was shown to have an important impact, but infrared irradiation did not reduce these backgrounds.

47 OTHER INSTRUMENTATION↗

Material and Interface Engineering Strategies to Mitigate Decoherence in Superconducting Qubits

While significant strides have been made to increase the coherence time of superconducting qubits, further advancements are essential for realizing scalable quantum computing. Decoherence is often a result of loss and noise stemming from two-level systems and excess quasiparticles, arising due to material defects, fabrication processes, and ambient exposure, particularly at surfaces and interfaces. Our recent efforts to mitigate these decoherence mechanisms have employed a variety of strategies, including low-loss surface encapsulation materials, advanced substrate preparation techniques, modifications to metal film growth, and the development of novel fabrication processes. The structural and chemical properties of materials, surfaces, and interfaces are studied using scanning probe microscopy, electron microscopy, photoelectron spectroscopy, mass spectrometry, and X-ray diffraction, which is correlated to device performance metrics, including superconducting resonator internal quality factor and qubit T1 time. This information is used to identify and understand material sources of loss and their origins in the device fabrication process. Through multi-institution efforts within SQMS we have identified the loss mechanism of interstitial hydrogen in niobium-based devices and shown how standard fabrication processes introduce these hydrides, developing strategies to mitigate their formation.1 Furthermore, we have characterized the metal-substrate interface, including the loss of niobium-silicides formed at that interface, and developed silicon surface treatments that reduce atomic scale roughness and oxygen content at the metal-substrate and Josephson junction interfaces.2-4 By developing the connection between materials properties and the overall performance of superconducting quantum circuitry, we can develop fabrication strategies to mitigate material losses, thus supporting the ongoing efforts to enhance coherence time in superconducting quantum devices. 1. Torres-Castanedo, C. G.*, Goronzy, D. P.*, et al., Adv. Funct. Mater., 2401365 (2024) 2. Lu, X., et al., Phys. Rev. Materials 6, 064402 (2022) 3. Berti, G., Appl. Phys. Lett. 122, 192605 (2023) 4. Kopas, C. J., Goronzy, D. P., et al., arXiv:2408.02863 (2024)

Goronzy, Dominic P.↗

Numerical Simulations of Geologic Storage Reservoir Management to Support Risk Mitigation Evaluation

This report provides a detailed description of a set of numerical simulations that represent reservoir behavior over time in response to different operational decision scenarios for detection of potential leakage and reduction or avoidance of leakage impact at a hypothetical geological carbon storage (GCS) site. These simulations serve as the basis for a series of GCS leakage risk forecasts that are to be developed using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM), and a demonstration of a simple decision support workflow for evaluation of mitigation strategies based on results of those system model forecasts. This risk assessment and decision support study is forthcoming. Four injection scenarios were considered: a constant rate carbon dioxide (CO 2 ) injection case (base case), a case with CO 2 injection rate adjustment, a case with early termination of injection operations, and a case with brine extraction. CO 2 injection operations were controlled to ensure that the pressure transient remains below the defined manageable reservoir fracture pressure, with consideration shown to hypothetical locations within the modeled spatial domain where the overburden was weaker and lower transient pressure increases were allowable. Additionally, a brine extraction alternative was considered as a reservoir management and risk mitigation option to reduce reservoir pressure, steer the plume away from any hypothetical geohazard such as fault as needed, and enhance storage capacity. Such operational actions contribute to risk management overtime. This study explores the potential utility of reservoir management for risk reduction at GCS sites. This study shows that the injection design may modify the time to CO 2 breakthrough at a legacy well; in particular, these results show that brine extraction can add value for mitigating risk both by delaying leakage and reducing pressure build-up. For the scenario considered, both pressure plots and pressure distributions demonstrate that pressure build-up was decreased by 3% with brine extraction. Additionally, extraction of brine afforded enhancement of CO 2 storage capacity by 5% compared to the base case. These findings suggest that brine extraction has substantial potential to steer the risk-related reservoir effects away from known geohazards (e.g., faults and legacy wells) by conducting pressure transient effects and CO 2 plume movement toward the production well. Injection rate adjustment scenarios considered in this study show potential value for managing both reservoir pressure transients and CO 2 plume behavior. Operational actions for reducing injection and/or early termination of injection (as compared to the base case), however, require careful design; tailoring both the extent and timing of injection rate adjustment over the injection and post-injection operational period must be thoroughly planned to balance maximizing storage and minimizing subsurface environmental risk. The study also gives preliminary consideration to the effectiveness that monitoring strategy may play in providing useful information to inform reservoir management decisions for risk reduction. Two types of monitoring were considered: 1) pressure build-up or pressure transient; and 2) potential leakage detection from a CO 2 mass or plume. Four hypothetical legacy wells, two plugged and two abandoned, were placed in the model domain. Monitoring along these wells was measured over time in individual stacked reservoir formations and shale formations to support risk mitigation decisions, especially operational decisions that assisted in risk reduction. These simulations will serve as the basis for a series of GCS leakage risk forecasts that are to be developed using NRAP’s Open-IAM, and demonstration of a simple decision support workflow for comparative assessment of mitigation alternatives based on results of those system model forecasts. This risk assessment and decision support study is forthcoming.

54 ENVIRONMENTAL SCIENCES↗

Strategies for control and mitigation of efflorescence in metakaolin-based geopolymers

Efflorescence can be harmful to material performance as a consequence of microstructural changes due to leaching and carbonation of alkalis. This article identifies mechanisms of efflorescence in metakaolin-based geopolymers, and approaches to reduce free/mobile alkali cations and pore network connectivity, and hence reduce efflorescence. Mechanical, mass transport and microstructural properties are assessed in metakaolin-based geopolymer cements produced using different alkali concentrations in the alkali activator and substitution/addition of blast furnace slag, silica fume, calcium aluminate cement, silicone oil and a dispersive admixture. The most effective strategy to reduce efflorescence results from increasing Si/Al in the geopolymer gel by addition of soluble silicate, silica fume or silicone oil. Addition of calcium aluminate cement or a dispersive admixture also reduce efflorescence, but are less effective. These results confirm that efflorescence may be reduced by controlling the amount of soluble silicates and reducing free alkali cations in geopolymers, providing enhanced performance and durability.

36 MATERIALS SCIENCE↗

Validation of a Tapered Impact Damper for Traffic Signal Structure Vibrations Using the Method of Harmonic Balance

Significant vibration amplitudes and cycles can be produced when traffic signal structures with low inherent damping are excited near one of their natural frequencies. For the mitigation of wind-induced vibrations, dynamic vibration absorbers coupled to the structure are often used. Here, this research investigates the performance of a tapered impact damper, consisting of a hanging spring-mass oscillator inside a housing capable of reducing vibration amplitude over a broader frequency range than the conventional tuned mass damper. A nonlinear, two degree-of-freedom model is developed with coordinates representing the traffic structure and the tapered impact damper. This research focuses on the application of the harmonic balance method to approximate the periodic solutions of the nonlinear equations to compute the nonlinear dynamics of the damped traffic signal structure. After designing and manufacturing a tapered impact damper, the traffic signal structure is tested with and without the damper using free vibration snapback tests. The experimental frequency and damping backbone curves are used to validate the analytical model, and the effectiveness of the damper is discussed.

42 ENGINEERING↗

Effects of Temperature Fluctuations on Surface Mobility of Atomic Steps and Oxidation Dynamics in High-Temperature Alloys

In contrast to the traditional perspective that thermal fluctuations are insignificant in surface dynamics, here we report their influence on surface reaction dynamics. Using real-time low-energy electron microscopy imaging of NiAl(100) under both vacuum and O 2 atmospheres, we demonstrate that transient temperature variations substantially alter the direction of atom diffusion between the surface and bulk, leading to markedly different oxidation outcomes. During heating, substantial outward diffusion of atoms from the bulk to the surface results in step growth. Conversely, cooling induces considerable inward diffusion of adatoms, producing a distinct oxide morphology. In both scenarios, initially formed oxide islands impede local atomic step mobility, thereby increasing step length due to mass transfer between the surface and bulk, with atomic steps acting as adatom sinks during heating and sources during cooling. Furthermore, we show that this pinning effect on atomic step mobility can be mitigated by applying persistent temperature fluctuations. As a result, understanding these nuances is vital for accurately predicting and dynamically manipulating the performance of active materials in various chemical processes under transient thermal conditions.

36 MATERIALS SCIENCE↗

Performance and Durability of Proton Exchange Membrane Vapor-Fed Unitized Regenerative Fuel Cells

With a growing demand for electricity, clean hydrogen production and usage can be an asset not only to mitigate emissions but for long-term energy storage as well. Hydrogen gas, a high-density energy carrier, can be made through electrolysis in charging mode and generate electricity via a fuel cell in discharging mode in a unitized regenerative fuel cell (URFC). While URFCs reduce cost by combining the charging and discharging modes into a singular device, switching between modes becomes burdensome, and water management is a major challenge. One way to mitigate these issues is to operate the entire system in the vapor phase. Vapor-phase operation simplifies the physics of the system but will introduce losses within the system, primarily ohmic and mass transport during the charging mode. In this study, we explore the performance of a Proton-Exchange-Membrane (PEM)-URFC under vapor-phase conditions and the impact of different PEMs, feed gases, and relative humidity on the performance and durability. By tailoring operating conditions and membrane, the vapor-URFC achieves a roundtrip efficiency of 42% and a lifetime of 50,000 accelerated stress test cycles for fully humidified feeds. Discussion of vapor-URFC for energy storage and extensions to look at various applications shows the promise of this technology.

25 ENERGY STORAGE↗

Hierarchical Inference with Bayesian Neural Networks: An Application to Strong Gravitational Lensing

In the past few years, approximate Bayesian Neural Networks (BNNs) have demonstrated the ability to produce statistically consistent posteriors on a wide range of inference problems at unprecedented speed and scale. However, any disconnect between training sets and the distribution of real-world objects can introduce bias when BNNs are applied to data. This is a common challenge in astrophysics and cosmology, where the unknown distribution of objects in our universe is often the science goal. In this work, we incorporate BNNs with flexible posterior parameterizations into a hierarchical inference framework that allows for the reconstruction of population hyperparameters and removes the bias introduced by the training distribution. We focus on the challenge of producing posterior PDFs for strong gravitational lens mass model parameters given Hubble Space Telescope–quality single-filter, lens-subtracted, synthetic imaging data. We show that the posterior PDFs are sufficiently accurate (statistically consistent with the truth) across a wide variety of power-law elliptical lens mass distributions. We then apply our approach to test data sets whose lens parameters are drawn from distributions that are drastically different from the training set. We show that our hierarchical inference framework mitigates the bias introduced by an unrepresentative training set's interim prior. Simultaneously, we can precisely reconstruct the population hyperparameters governing our test distributions. Our full pipeline, from training to hierarchical inference on thousands of lenses, can be run in a day. The framework presented here will allow us to efficiently exploit the full constraining power of future ground- and space-based surveys (https://github.com/swagnercarena/ovejero).

79 ASTRONOMY AND ASTROPHYSICS↗

Evolution of solid electrolyte interphase and active material in the silicon wafer model system

Alloying anode materials for lithium-ion batteries, such as silicon (Si), are an important focus of materials research due to the demand for increased energy density for electric vehicles and stationary grid storage. However, progress towards next generation anode materials has been hindered by poor capacity retention due to the instability of the Si active material and the solid electrolyte interphase (SEI). Herein, the evolution of the active Si material and the SEI are simultaneously investigated from the perspective of chemical, structural, morphological, and electronic evolution in the Si wafer model system through its cycling life, using time-of-flight secondary ion mass spectrometry (TOF-SIMS), scanning transmission electron microscopy (STEM), atomic force microscopy (AFM), and scanning spreading resistance microscopy (SSRM). The results illustrate a dynamic evolution of the SEI and active Si material through cycling. Through an improved understanding of evolution of SEI and Si active material within the Si wafer model system, mitigation strategies may be designed to extend the lifetime of Si anodes.

25 ENERGY STORAGE↗

Flow boiling in geometrically modified microchannels

Microchannels are a promising solution for high-heat-flux thermal management scenarios, including high-performance microelectronics cooling and power electronics cooling. However, thermohydraulic instabilities result from the rapid vapor bubble formation. The prior literature has examined several methods, including constricted inlet microchannels, expanding microchannels, and auxiliary jetting microchannels, to mitigate the effect of these instabilities. Computational fluid dynamics and heat transfer (CFD/HT) modeling of the flow boiling phenomena in these microchannel configurations has seen limited examination, and one-to-one numerical comparisons of the different mitigation strategies have not been performed. In the present investigation, CFD/HT analyses using a three-dimensional (3D) volume of fluid model coupled with a phase-change model for the interfacial heat and mass transfer were performed for multiple microchannel configurations (constricted inlet, expanding, and auxiliary jetting microchannels). A benchmark case of a rectangular microchannel was examined to quantify baseline thermohydraulic performance. Results demonstrated slight to significant thermal performance improvements for all cases, and significant pressure benefits for the expanding and jetting cases, consistent with experimental results in the literature. Bubble dynamics and visualization for the baseline and alternative configurations are provided to give insight into their underlying physics, and the differences in performance were investigated and compared with available literature.

Broughton, Justin (ORCID:000000026848457X)↗

Dark Matter Search Results from 4.2 Tonne−Years of Exposure of the LUX-ZEPLIN (LZ) Experiment

We report results of a search for nuclear recoils induced by weakly interacting massive particle (WIMP) dark matter using the LUX-ZEPLIN (LZ) two-phase xenon time projection chamber. This analysis uses a total exposure of 4.2 ±0.1 tonne-years from 280 live days of LZ operation, of which 3.3 ± 0.1 tonne-years and 220 live days are new. A technique to actively tag background electronic recoils from 214 Pb 𝛽 decays is featured for the first time. Enhanced electron-ion recombination is observed in two-neutrino double electron capture decays of 124 Xe, representing a noteworthy new background. After removal of artificial signal-like events injected into the dataset to mitigate analyzer bias, we find no evidence for an excess over expected backgrounds. World-leading constraints are placed on spin-independent (SI) and spin-dependent WIMP-nucleon cross sections for masses ≥9 GeV/𝑐 2 . The strongest SI exclusion set is 2.2×10 −48 cm 2 at the 90% confidence level and the best SI median sensitivity achieved is 5.1 ×10 −48 cm 2 , both for a mass of 40 GeV/𝑐 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Effect of Cathode Cooling in Three-Dimensional Simulations of an Atmospheric Pressure Glow Discharge

The Atmospheric Pressure Glow Discharge (APGD) is a relatively simple and versatile plasma source used in a wide range of applications. Active cooling of the cathode can effectively mitigate instabilities, leading to glow-to-arc transitions. This study investigates the effect of varying the degree of cathode cooling in APGD with a planar cathode in helium. The plasma flow model incorporates mass conservation, chemical species transport, momentum conservation, conservation of thermal energy of heavy species and of electrons, and electrostatics. The model is applied to time-dependent simulations through a three-dimensional computational domain describing the whole discharge, without geometric symmetry or steady-state assumptions. Simulations of an experimentally characterized APGD explore the effects of electric current and cathode cooling—ranging from thermally insulated to extreme convective cooling. Results show the formation of an annular region with high electric field over the cathode surface under conditions of high current and low cooling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Determination of jet calibration and energy resolution in proton–proton collisions at $\sqrt{s} = 8~\hbox {TeV}$ using the ATLAS detector

The jet energy scale, jet energy resolution, and their systematic uncertainties are measured for jets reconstructed with the ATLAS detector in 2012 using proton–proton data produced at a centre-of-mass energy of 8 TeV with an integrated luminosity of 20fb -1 . Jets are reconstructed from clusters of energy depositions in the ATLAS calorimeters using the anti-k t algorithm. A jet calibration scheme is applied in multiple steps, each addressing specific effects including mitigation of contributions from additional proton–proton collisions, loss of energy in dead material, calorimeter non-compensation, angular biases and other global jet effects. The final calibration step uses several in situ techniques and corrects for residual effects not captured by the initial calibration. Furthermore, these analyses measure both the jet energy scale and resolution by exploiting the transverse momentum balance in γ + jet, Z + jet, dijet, and multijet events. A statistical combination of these measurements is performed. In the central detector region, the derived calibration has a precision better than 1% for jets with transverse momentum 150 GeV < p T < 1500 GeV, and the relative energy resolution is (8.4 ± 0.6)% for p T =100 GeV and (23 ± 2)% for p T =20 GeV. The calibration scheme for jets with radius parameter R = 1.0, for which jets receive a dedicated calibration of the jet mass, is also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

β Decay of 61 V and its Role in Cooling Accreted Neutron Star Crusts

The interpretation of observations of cooling neutron star crusts in quasipersistent x-ray transients is affected by predictions of the strength of neutrino cooling via crust Urca processes. The strength of crust Urca neutrino cooling depends sensitively on the electron-capture and β -decay ground-state-to-ground-state transition strengths of neutron-rich rare isotopes. Nuclei with a mass number of A = 61 are predicted to be among the most abundant in accreted crusts, and the last remaining experimentally undetermined ground-state-to-ground-state transition strength was the β decay of 61 V. This Letter reports the first experimental determination of this transition strength, a ground-state branching of $8.1^{+4.0}_{- 3.1}%$, corresponding to a log ft value of $5.5^{+0.2}_{-0.2}$. This result was achieved through the measurement of the β -delayed γ rays using the total absorption spectrometer SuN and the measurement of the β -delayed neutron branch using the neutron long counter system NERO at the National Superconducting Cyclotron Laboratory at Michigan State University. This method helps to mitigate the impact of the pandemonium effect in extremely neutron-rich nuclei on experimental results. The result implies that A = 61 nuclei do not provide the strongest cooling in accreted neutron star crusts as expected by some predictions, but that their cooling is still larger compared to most other mass numbers. Finally, only nuclei with mass numbers 31, 33, and 55 are predicted to be cooling more strongly. However, the theoretical predictions for the transition strengths of these nuclei are not consistently accurate enough to draw conclusions on crust cooling. With the experimental approach developed in this work, all relevant transitions are within reach to be studied in the future.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental investigation of surface roughness/wettability pattern effect on crystallization fouling over falling-film flow

In many industries, including desalination, scaling in heat exchangers is a persistent issue, and most methods of scaling control involve environmentally hazardous chemical additives. Exploiting the effects of surface features and flow-imposed shear on salt deposition might introduce a new approach to scale management, opening the possibility of self-cleaning surfaces. In this work, we experimentally explore surface roughness and wettability patterns interaction with salt deposition and flow shear. Heat transfer and scale mass deposition on flat surfaces are measured during thin-film evaporation of calcium sulfate solution. A wide range of surface roughness (0.027–2.66 μm) is studied at fixed flow and heat flux conditions. Due to improved mixing, heat transfer is enhanced with rougher surfaces initially; however, degrades more quickly than smoother surfaces. Following a period of initial mass deposition fluctuation, a steady scaling stage is observed, with rough surfaces scaling more than smooth surfaces. Wettability patterned surfaces can suppress crystal nucleation without sacrificing overall surface wetting, resulting in antifouling performance and heat transfer enhancement. Scale mass deposition on a patterned surface is reduced by 60 %, and 27 % heat transfer improvement over the baseline surface is found. Furthermore, this study provides guidance to surface manipulation for heat transfer improvement and fouling mitigation.

42 ENGINEERING↗

Sensitivity projections for a dual-phase argon TPC optimized for light dark matter searches through the ionization channel

Dark matter lighter than 10 GeV / c 2 encompasses a promising range of candidates. A conceptual design for a new detector, DarkSide-LowMass, is presented, based on the DarkSide-50 detector and progress toward DarkSide-20k, optimized for a low-threshold electron-counting measurement. Sensitivity to light dark matter is explored for various potential energy thresholds and background rates. These studies show that DarkSide-LowMass can achieve sensitivity to light dark matter down to the solar neutrino fog for GeV-scale masses and significant sensitivity down to 10 MeV / c 2 considering the Migdal effect or interactions with electrons. Requirements for optimizing the detector’s sensitivity are explored, as are potential sensitivity gains from modeling and mitigating spurious electron backgrounds that may dominate the signal at the lowest energies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Solubility Testing to Support the Addition of Sodium Reactor Experiment Material to Sludge Batch 10

The Savannah River Site H-Canyon Facility is planning to discard dissolved Sodium Reactor Experiment (SRE) material into Tank 51 prior to Sludge Batch 10 (SB10). SB10 with the SRE material will be processed in the Defense Waste Processing Facility (DWPF) using the Nitric-Glycolic Acid (NGA) flowsheet. The DWPF Nuclear Criticality Safety Evaluation (NCSE) protects a 14:1 mass ratio of manganese to equivalent uranium-235 in both the solid and liquid phases during processing by requiring a 70:1 mass ratio in the feed. A concern was raised that freshly precipitated manganese in the SRE material will behave differently from the manganese in sludge during DWPF processing and potentially invalidate the criticality control. To mitigate risks to the DWPF criticality controls, the Savannah River National Laboratory (SRNL) performed a metals solubility test applicable to recently precipitated manganese and uranium, as would be expected with SRE transfers to SB10. The objective of this analysis is the tracking of partitioning of the primary fissile component (uranium-235) with the credited poison (manganese) between the aqueous and insoluble phases.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗