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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 163 records · Page 9

Composite Lithium Metal Structure to Mitigate Pulverization and Enable Long‐Life Batteries

In lithium metal batteries, non‐uniform stripping of lithium results in pit formation, which promotes subsequent non‐uniform, dendritic deposition. This viscous cycle leads to pulverization of lithium which promotes cell shorting or capacity degradation, symptoms further exaggerated by high electrode areal loading and lean electrolytes. Here, to address this challenge, a composite lithium metal anode is engineered that contains uniformly distributed, nanometer‐sized carbon particles. This composite lithium is shown to strip more uniformly since the growth of non‐uniform pits is intercepted by the carbon particles. This mechanism is corroborated by a continuum electrochemical model. Subsequent lithium deposition on carbon particles is also found to be more uniform than on the surface with irregular pits. Notably, the pulverization rate of composite lithium is 26 times slower than that of commercial lithium. Moreover, in a Li‐S battery with sulfurized polyacrylonitrile cathode, the use of the composite anode extends the cycle life by three times when the areal capacity is 8 mAh cm −2 . The approach of using an engineered lithium composite structure to address challenges during both stripping and plating can inform future designs of lithium metal anodes for high areal capacity operations.

high areal capacity↗

A Techno-Economic Analysis of a 50MWth Light-Trapping Cavity-Planar Solar Receiver Tower Capital Expenditures and its Cost Mitigation Strategies

To maximize thermal efficiency, the National Renewable Energy Laboratory (NREL) has proposed a light-trapping cavity-planar receiver design intended to capture energy from reradiating surfaces. This system implements a macroscale light trapping mechanism induced by panels with triangular channels, this mechanism allows for elevated temperatures on the receiver panels and in turn the temperature of the HTF; using this design coupled with the implementation of a fluidized particle flow as the HTF, it can be expected for some components to reach a peak working temperature of nearly 1000 degrees C cyclically throughout each day-night cycle. While these temperatures correlate to higher efficiency of the CSP tower they also demand intense thermomechanical properties from the materials used to make the receiver panels. In this analysis, we will list our assumptions to provide clarity on the significance of our calculation. This cost analysis will be conducted using a combination of both case study data and surveying industry to determine costs that are relevant to the current market trends. This analysis represents an early attempt to establish the Capital Expenditures required for a CSP tower of such design to determine the feasibility of implementing such a system in the industry.

concentrated solar power (CSP)↗

Stabilizing Nickel‐Rich Cathodes in Aqueous Process through Nanocellulose as Water Barrier

Nickel-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NMC 811) cathode offers high voltage and high specific capacity, making it promising for high energy density batteries. However, large-scale manufacturing of aqueous-processed NMC 811 electrodes remains challenging due to proton exchange causing material decomposition and capacity loss. This work addresses this issue by constructing an in situ nanocellulose protective layer for NMC 811 particles via electrostatic interactions during the slurry preparation. For the first time, the interatomic spacing between inter-chains of nanocellulose is measured through wide-angle X-ray scattering and demonstrate the ability to effectively confine interlayer water using atomistic simulations. Moreover, this nanocellulose coverage simultaneously minimizes Li + surface segregation and mitigates water infiltration. Owing to less material decomposition during the aqueous processing, nanocellulose-protected NMC electrodes exhibit higher initial coulombic efficiency (83% vs 62% at 0.1C) and capacity (133 vs 59 mAh g −1 at 6C) than unprotected electrodes. Additionally, optimized aqueous-processed NMC electrodes offer comparable or even superior electrochemical properties compared to the electrodes fabricated using the conventional toxic organic solvent, N-methyl-2-pyrrolidone. Consequently, the developed approach enables affordable, sustainable aqueous processing for Nickel-rich NMC 811 cathodes with excellent electrochemical performances.

25 ENERGY STORAGE↗

A Scalable, High-Efficiency, Low-Energy-Spread Laser Wakefield Accelerator Using a Tri-Plateau Plasma Channel

The emergence of multi-petawatt laser facilities is expected to push forward the maximum energy gain that can be achieved in a single stage of a laser wakefield acceleration (LWFA) to tens of giga-electron volts, which begs the question—is it likely to impact particle physics by providing a truly compact particle collider? Colliders have very stringent requirements on beam energy, acceleration efficiency, and beam quality. In this article, we propose an LWFA scheme that can for the first time simultaneously achieve hitherto unrealized acceleration efficiency from the laser to the electron beam of >20% and a sub-1% energy spread using a stepwise plasma structure and a nonlinearly chirped laser pulse. Three-dimensional high-fidelity simulations show that the nonlinear chirp can effectively mitigate the laser waveform distortion and lengthen the acceleration distance. This, combined with an interstage rephasing process in the stepwise plasma, can triple the beam energy gain compared to that in a uniform plasma for a fixed laser energy, thereby dramatically increasing the efficiency. A dynamic beam loading effect can almost perfectly cancel the energy chirp that arises during the acceleration, leading to the sub-percent energy spread. This scheme is highly scalable and can be applied to petawatt LWFA scenarios. Scaling laws are obtained, which suggest that electron beams with parameters relevant for a Higgs factory could be reached with the proposed high-efficiency, low-energy-spread scheme.

43 PARTICLE ACCELERATORS↗

Engineering spin coherence in core-shell diamond nanocrystals

Fluorescent diamond nanocrystals can host spin qubit sensors capable of probing the physical properties of biological systems with nanoscale spatial resolution. Sub-100 nm diamond nanosensors can readily be delivered into intact cells and even living organisms. However, applications beyond current proof-of-principle experiments require a substantial increase in sensitivity, which is limited by surface induced charge instability and electron-spin dephasing. In this work, we utilize engineered core-shell structures to achieve a drastic increase in qubit coherence times (T 2 ) from 1.1 to 35 μs in bare nanodiamonds to upward of 52 to 87 μs. We use electron-paramagnetic-resonance results to present a band bending model and connect silica encapsulation to the removal of deleterious mid-gap surface states that are negatively affecting the qubit’s spin properties. Combined with a 1.9-fold increase in particle luminescence these advances correspond to up to two-order-of-magnitude reduction in integration time. Probing qubit dynamics at a single particle level further reveals that the noise characteristics fundamentally change from a bath with spins that rearrange their spatial configuration during the course of an experiment to a more dilute static bath. The observed results shed light on the underlying mechanisms governing fluorescence and spin properties in diamond nanocrystals and offer an effective noise mitigation strategy based on engineered core-shell structures.

core-shell↗

Self-Healing Lithium Dendrites through Spontaneous Passivating Layer Formation for Stable Solid-State Lithium–Metal Batteries

All-solid-state lithium–metal batteries have attracted significant attention, owing to their high energy density and superior safety. However, lithium–metal penetration through the solid electrolyte, leading to short-circuiting, remains a critical failure mode that demands comprehensive mitigation strategies. Most existing strategies are effective only prior to the initiation of lithium-dendrite formation and fail once dendrites begin to propagate through the electrolyte. In this study, we propose a self-healing mechanism in which the penetrated lithium reacts with a self-healing agent to form a passivating layer along the particle boundaries. Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) was incorporated into a Li 6 PS 5 Cl solid electrolyte as the self-healing agent to suppress lithium-dendrite propagation even after dendrite formation initiated under high current densities. The self-healing induced by LiTFSI was verified through comprehensive experimental analyses and was further demonstrated in a full-cell configuration. Moreover, LiTFSI incorporation plays an important role in increasing the critical current density by reducing the overall electronic conductivity of the solid electrolyte and facilitating the formation of a robust LiF-containing solid-electrolyte interphase.

25 ENERGY STORAGE↗

Power and particle exhaust for the ARC fusion power plant

To successfully show that fusion is an attractive energy source, the ARCTM fusion power plant will need to operate with a robust, integrated power and particle exhaust solution. To maximise ARC’s fusion power output while avoiding excessive erosion of the plasma-facing components, we will need to radiatively dissipate most of the power crossing the last-closed flux surface, injecting radiating impurities such as argon or neon to access divertor detachment. Divertor detachment will need to be integrated with a high-performance core plasma, and with efficient impurity pumping to prevent the accumulation of helium ash in the core. To access and control detachment in high-performance plasmas, we have designed ARC with up–down-symmetric divertors, with secondary X-points in long, tightly baffled outer legs. Using a core-edge modelling workflow, we predict that with this divertor design, ARC will access detachment with modest argon seeding in the divertor (c Ar,div ∼0.9%), which should have minimal impact on the core ( Z eff,core <0.5) for reasonable argon enrichment (c Ar,div /c Ar,core =6). Due to the high predicted divertor neutral pressure (p div ∼20 Pa), we predict that ARC will sufficiently pump helium to limit ash accumulation in the core (c He,core <2%) for a helium enrichment of c He,div /c He,core =0.4. ARC’s divertor design is expected to increase the stability of a detachment front in the outer divertor leg, helping to prevent divertor reattachment during smaller heat-flux transients such as scrape-off-layer filaments associated with the quasi-continuous exhaust regime. However, this buffering will not be sufficient to prevent divertor reattachment during large type-I edge-localised modes (ELMs), and as such these will need to be avoided on ARC. Experiments on SPARC will be used to select an integrated scenario which avoids or mitigates type-I-ELMs while maintaining access to detachment, good core fusion performance and sufficient impurity exhaust. SPARC experiments will also be used to finalise ARC’s divertor design, by studying the impact of magnetic and first-wall geometry on detachment stability, impurity enrichment and neutral baffling under conditions similar to those expected for ARC. In conclusion, our analysis finds that ARC will have a viable power and particle exhaust solution which is compatible with high-power operations, and this solution will be validated in experiments on SPARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Search for a Sterile Neutrino in a 3+1 Framework using Wire-Cell Inclusive Charged-Current $\nu_e$ Selection with the BNB and NuMI beamlines in MicroBooNE

A search for a sterile neutrino is being carried out in the MicroBooNE experiment within the 3+1 (three flavors of active neutrinos + one flavor of sterile neutrino) framework using neutrinos from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI). The sensitivity of this search is built upon high performance inclusive charged-current electron neutrino and muon neutrino event selections. The previous 3+1 sterile neutrino search using only BNB data, the cancellation between $\nu_{e}$ disappearance and $\nu_{e}$ appearance oscillations led to a reduced oscillation effect in the $\nu_{e}$ energy spectrum resulting in a degeneracy of the oscillation parameters. Such a degeneracy is shown to be mitigated by including the neutrino events from the NuMI beam. In this note, the prospect of a 3+1 oscillation analysis using both BNB and NuMI is reported, considerably improving the sensitivity to 3+1 neutrino oscillations.

43 PARTICLE ACCELERATORS↗

Spallation Neutron Source Proton Power Upgrade (PPU) Project: Lessons Learned for CD-4

The SNS PPU project goals were to design, build, install and test the equipment necessary to double the accelerator power from 1.4 MW to 2.8 MW and to deliver a 2.0 MW qualified target. PPU also included the provision of a stub-out in the SNS accumulator-ring-to-target tunnel to facilitate a rapid connection to a new proton beamline for the Second Target Station (STS) project. The power capability was doubled by increasing the proton beam energy by 33% and the peak beam current by 50%, relative to pre-PPU accelerator performance. The project also included modifications to some buildings and services. The PPU project accomplished the energy upgrade by fabricating and installing new superconducting radiofrequency (RF) cryomodules, with supporting RF equipment, in the existing linac tunnel and klystron gallery, respectively. The High Voltage Converter Modulators (HVCM) and klystrons for some of the existing installed RF equipment were upgraded to handle the higher beam current. The increased beam power of 2 MW on the First Target Station (FTS) was enabled by the addition of a new high-volume gas injection system for pressure pulse and cavitation mitigation in the mercury target and a redesigned mercury target vessel.

43 PARTICLE ACCELERATORS↗

Impact of Galactic non-Gaussian foregrounds on CMB lensing measurements

Weak gravitational lensing of the cosmic microwave background (CMB) has been established as a robust and powerful observable for precision cosmology. However, the impact of Galactic foregrounds, which has been studied less extensively than many other potential systematics, could in principle pose a problem for CMB lensing measurements. These foregrounds are inherently non-Gaussian and hence might mimic the characteristic signal that lensing estimators are designed to measure. We present an analysis that quantifies the level of contamination from Galactic dust in lensing measurements, focusing particularly on measurements with the Atacama Cosmology Telescope and the Simons Observatory. We employ a whole suite of foreground models and study the contamination of lensing measurements with both individual frequency channels and multifrequency combinations. We test the sensitivity of different estimators to the level of foreground non-Gaussianity and the dependence on sky fraction and multipole range used. We find that Galactic foregrounds do not present a problem for the Atacama Cosmology Telescope experiment (the bias in the inferred CMB lensing power spectrum amplitude remains below 0.3σ). For Simons Observatory, not all foreground models remain below this threshold. Although our results are conservative upper limits, they suggest that further work on characterizing dust biases and determining the impact of mitigation methods is well motivated, especially for the largest sky fractions.

cosmic microwave background↗

Development of mechanistic, microstructure-informed BISON models for fission product-induced failure mechanisms in advanced nuclear fuels

The US continues to prioritize commercial deployment of advanced reactors—particularly those utilizing U-Zr metallic and TRISO particle fuels. Fission product-induced failure mechanisms for these systems include fuel–cladding chemical interaction in metallic fuel rods, which threatens cladding integrity, and Pd penetration in TRISO particles, which degrades SiC layer properties. Empirical models can be applied within the bounds of existing irradiation databases, but their utility is limited when considering new designs or investigating fundamental material behaviors. The Nuclear Energy Advanced Modeling and Simulation Program is therefore developing mechanistic models for these behaviors, which are expected to aid in fuel design, assist in development of failure mitigation strategies, and provide support for qualification and licensing. These efforts leverage multiscale capabilities to capture the microstructural features and processes that govern these behaviors. This talk summarizes past and ongoing efforts to develop and validate these models for the BISON fuel performance code.

FCCI↗

Thermal deflection in neutron scattering sample environments at Oak Ridge National Laboratory

The neutron sources at Oak Ridge National Laboratory use a wide suite of sample environment equipment to deliver extreme conditions for a number of experiments. Much of this instrumentation focuses on extremes of temperature, such as cryostats, closed-cycle refrigerators in both low and high temperature configurations, and radiant heating furnaces. When the temperature is controlled across a large range, thermal deflection effects can notably move the sample and affect its alignment in the beam. Here, we combine these sample environments with neutron imaging and machine vision to determine the motion of a representative sample with respect to the neutron beam. We find vertical sample displacement on the order of 1–2 mm and horizontal displacement that varies from near-negligible to 1.2 mm. While these deflections are not relevant for some of the beamlines at the first target station at the spallation neutron source and the high flux isotope reactor, they will become critical for upcoming instrumentation at the second target station, as well as any instruments targeting sub-mm samples, as neutron sources and optics evolve to smaller and more focused beams. We discuss mitigation protocols and potential modifications to the environment to minimize the effect of misalignment due to thermal deflection.

47 OTHER INSTRUMENTATION↗

Oxygen vacancies in niobium pentoxide as a source of two-level system losses in superconducting niobium

We identify a major source of quantum decoherence in three-dimensional superconducting radio-frequency (SRF) resonators and two-dimensional transmon qubits composed of oxidized niobium: oxygen vacancies in the niobium pentoxide, which drive two-level system (TLS) losses. By probing the effect of sequential in situ vacuum-baking treatments on the rf performance of bulk Nb SRF resonators and on the oxide structure of a representative Nb sample using TOF SIMS, we find a nonmonotonic evolution of cavity quality factor Q 0 , which correlates with the interplay of Nb 2 O 5 vacancy generation and oxide-thickness reduction. We localize this effect to the oxide itself and present the insignificant role of diffused interstitial oxygen in the underlying Nb by regrowing the oxide via wet oxidation, which reveals a mitigation of aggravated TLS losses. We hypothesize that such vacancies in the pentoxide serve as magnetic impurities and are a source of TLS-driven rf loss.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advancing quantum simulations of the nuclear shell model with Gray-code–based resource-efficient protocols

Background: Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei are one such case with high demand for resources, as the size of the Hilbert space grows exponentially with the number of particles involved. Quantum algorithms are being developed to overcome these challenges and advance such calculations. Purpose: To develop quantum circuits for the nuclear shell-model, leveraging the capabilities of noisy intermediate-scale quantum (NISQ) devices. Here, we aim to minimize resource requirements (specifically in terms of qubits and gates) and strive to reduce the impact of noise by employing relevant mitigation techniques. Methods: We achieve noise resilience by designing an optimized Ansatz for the variational quantum eigensolver (VQE) based on Givens rotations and incorporating qubit-ADAPT-VQE in combination with variational quantum deflation (VQD) to compute ground and excited states, incorporating the zero-noise extrapolation mitigation technique. Furthermore, the qubit requirements are significantly reduced by mapping the basis states to qubits using Gray-code encoding and generalizing transformations of fermionic operators to efficiently represent many-body states. Results: By employing the resource-efficient protocols, we achieve the ground and excited state energy levels of 38 Ar and 6 Li with better accuracy. These energy levels are presented for noiseless simulations, noisy conditions, and after applying noise mitigation techniques. Results are compared for Jordan-Wigner and Gray-code encoding using VQE, qubit-ADAPT-VQE, and VQD. Conclusions: Our work highlights the potential of resource-efficient protocols to leverage the full potential of NISQ devices in scaling the nuclear shell model calculations, offering a pathway toward more complex quantum simulations in nuclear physics. This approach establishes a framework for studying other nuclear systems with improved quantum resource efficiency, marking a significant advancement in applying quantum computing to realistic nuclear physics applications.

Physics - Nuclear physics and radiation physics↗

A dual promotional effect of doping tantalum (Ta) in atomically dispersed Ru/CeO 2 catalyst toward CO 2 methanation: Enhanced associative adsorption of CO 2 and activation of H 2

Precisely controlling the product selectivity in CO 2 hydrogenation through rational catalyst design presents a promising approach to mitigate environmental and energy-related challenges, though it remains a significant scientific hurdle. Herein, the CH 4 selectivity of 0.5 wt% Ru loaded catalysts at 250 °C was effectively shifted from approximately 35 % to 100 % through the incorporation of Ta dopant into the CeO 2 support. The EXAFS spectra in conjunction with CO DRIFTS experiment indicated the presence of atomically dispersed Ru particles anchored on the Ta-doped CeO 2 surface. A higher oxidized CeO 2 surface was evidenced in the presence of Ta dopant. The presence of Ta dopant also improved the dispersion of Ru species and their interaction with the support. Most importantly, the Ru/Ta-CeO 2 catalyst exhibited a pronounced capacity for associative CO 2 -adsorption under atmospheric pressure at 50 °C. An improved H 2 activation was also observed under CO 2 hydrogenation conditions. This novel finding of the dual promotional effect of Ta carries a significant impact in the field of CO 2 capture and utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Negative fluxes and cell-miss errors in the random ray method

The random ray method is a recently developed stochastic method for solving neutral particle transport problems based on the method of characteristics. Perhaps surprisingly for a characteristics-based method using flat sources, we note that the random ray method can produce negative fluxes which may be numerically troublesome in several situations. These occur most severely in fixed source problems where the source is in a region with a small cross section. Additionally, we briefly discuss another source of bias which can occur in similar situations, namely a ray missing a mesh with a strong source and small cross section, resulting in the entirety of the source being unphysically deposited locally. This paper describes the mechanism by which negative fluxes may occur and several different methods to mitigate their effects. These fixes are tested on an eigenvalue problem, a ‘fusion-like’ shielding problem, and a shielding problem featuring an adjoint calculation. Even when extremely coarse random ray quadratures are used such that 20%–30% of cells are missed during a given iteration, use of the preferred fix technique ensures local flux tally errors remain trivial (below 1%). The preferred fix is now the default option in SCONE and OpenMC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Center for Integrated Simulation of Fusion Relevant RF Actuators

This project was part of the “Center for Integrated Simulation of Fusion Relevant RF Actuators” SciDAC-4 project, led by Dr. Paul Bonoli (MIT). Rather than use an acronym (CISFRRFA), the project will be referred to in this document as the “RF-SciDAC4”. The larger SciDAC-4 project goals were to: 1. Develop an integrated simulation of the antenna + sheath + scrape-off-layer + core plasma system which fully utilizes leadership class computing resources to move towards a quantitative predictive capability for the response to RF power. 2. Work closely with the SciDAC-4 Whole Device Modeling (WDM) community to make both our new code development efforts, as well as the established hierarchy of RF tools, available within their environment, and to utilize WDM technologies to implement the couplings below. 3. Validate this predictive capability on appropriately diagnosed experiments including dedicated RF test stands, linear devices, and existing tokamaks. 4. Use these tools to inform design of robust, impurity-mitigating RF heating and current drive sources for future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Review of Variables Impacting the Indoor Inhalation Radon Equilibrium Factor (FEQ)

With radon and its daughter products estimated as the second leading cause of lung cancer in the United States, it is imperative to understand their relative equilibrium inside commercial, community, and residential dwellings. The radon indoor inhalation fractional equilibrium factor (F eq ) quantifies the disequilibrium between radon and its progeny in indoor air, and recent advances have shown how air exchange rates (ACH) influence F eq . These numerically derived ACH-dependent F eq values are incorporated into the U.S. EPA's Radon Vapor Intrusion Screening Level (RVISL) calculator, which assists risk assessors in evaluating radon exposure. To advance the risk assessment science of actinon (Rn-219), thoron (Rn-220), and radon (Rn-222), the impact of variables such as indoor aerosol concentration and composition, outdoor air quality, household-specific characteristics, and environmental/meteorological conditions on the F eq must be examined. The primary objective of this research is to analyze these additional variables to determine the usefulness of incorporating such adjustment factors into the RVISL calculator and to identify areas of future research. Studies regarding the influence of these parameters are presented along with recommendations regarding the adjustment of the numerically derived F eq value. For example, elevated indoor aerosol concentrations, such as those originating from outdoor PM 2.5 or cigarette smoke, increase the abundance of accumulation- mode particles indoors, which in turn raises F eq values by facilitating the attachment of radon progeny to these aerosols. Smoking increases both the bronchial dose and F eq , while regions with high smog levels demonstrate the impact of regional air quality on F eq . In contrast, air cleaning systems and purifiers have been shown to reduce the F eq , suggesting that these systems could help mitigate radon exposure. Additionally, higher F eq values are typically observed during winter when ventilation rates are lower. This paper presents adjustment factors that may be applied to the RVISL F eq , emphasizing the need for further research to refine these variables and ensure accurate risk assessments in diverse environments. Applying these adjustment factors will minimize calculator over- and underestimations, providing a more accurate representation of the real-world risk associated with radon.

54 ENVIRONMENTAL SCIENCES↗