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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 37 records · Page 2

Theory of nuclear fission

Atomic nuclei are quantum many-body systems of protons and neutrons held together by strong nuclear forces. Under the proper conditions, nuclei can break into two (sometimes three) fragments which will subsequently decay by emitting particles. This phenomenon is called nuclear fission. Since different fission events may produce different fragmentations, the end-products of all fissions that occurred in a small chemical sample of matter comprise hundreds of different isotopes, including α particles, together with a large number of emitted neutrons, photons, electrons and antineutrinos. The extraordinary complexity of this process, which happens at length scales of the order of a femtometer, mostly takes less than a femtosecond but is not entirely over until all the lingering β decays have completed – which can take years – is a fascinating window into the physics of atomic nuclei. While fission may be more naturally known in the context of its technological applications, it also plays a crucial role in the synthesis of heavy elements in astrophysical environments. In both cases, simulations are needed for the many systems or energies inaccessible to experiments in the laboratory. In this context, the level of accuracy and precision required poses formidable challenges to nuclear theory. Overall, the goal of this article is to provide a comprehensive overview of the theoretical methods employed in the description of nuclear fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Tandem chemocatalysis and biological funneling to valorize lignin

In 2014, Linger et al. presented a tandem process for lignin valorization by integrating chemical and biological catalysis. Chemical pretreatment of corn stover generated mixed lignocellulose-derived monomers that were converted to a single product, polyhydroxyalkanoates, by Pseudomonas putida. Tandem processes have since been developed for diverse feedstocks to support the bioeconomy.

09 BIOMASS FUELS↗

Reversible Disorder-to-Order Transition Induced by Aqueous Lithiation in Vanadate Electrode Materials

Vanadium-based oxides are intriguing electrode materials in aqueous electrochemical systems owing to their low cost and high theoretical capacity for alkali storage, especially lithium (Li) ions. However, a sequence of phase transformations and irreversible structure distortion upon Li-ion intercalation causes structural instability and has been a lingering problem for vanadium oxide electrodes. Here, in this work, we investigate lithium vanadate (Li–V 3 O 8 ) for aqueous Li-ion intercalation and deintercalation processes. Unlike its crystalline V 2 O 5 polymorph, Li–V 3 O 8 retains monophasic lithiation, which is attributed to its disordered crystalline nature and large interplanar distance. Importantly, we show a unique and reversible sequence of disorder-to-order structural transition induced by the extent of lithiation, which indicates sequential interlayer and intralayer lithiation process, and vice versa in delithiation process, supported by electrokinetic analysis, in situ X-ray diffraction (XRD), and Debye scattering simulations. The absence of distortive phase transitions and multilithiation pathways facilitates Li-ion diffusion across the vanadate electrode materials to improve storage capacity. This work opens a new dimension for vanadium-based disordered oxides, accelerating the development of low-cost, aqueous electrochemical systems.

36 MATERIALS SCIENCE↗

Elucidating the Interfacial Barriers in Lanthanide Back-Extraction: From Water to Oil and Back Again

Recovery of critical rare earth elements from complex mixtures has long been realized via solvent extraction, where ions in an aqueous phase are separated into an organic phase using amphiphilic ligands. While a great deal of effort has been placed on understanding this forward reaction, substantial knowledge gaps in the back-extraction process remain. This includes the mechanism of interfacial dissociation and transport back into a highly acidic aqueous phase for further processing. In this work, we connect back-extraction kinetics made in realistic solvent extraction systems to salient interfacial chemistry and structure that represent bottlenecks in the back-extraction of lanthanide ions. We show that the interface between the two liquid phases varies dramatically based on the composition of both phases. Water stretching signals are shown to report on the population of lingering interfacial complexes and are thus used as a reporter of competitive adsorption from excess free ligands in solution for limited interfacial vacancies. We show that excess free ligands, often used to improve forward extractions, set up interfacial blockades inhibiting back-extraction both kinetically and thermodynamically. In conclusion, this insight opens up avenues to tune interfacial properties to facilitate a more dynamic, exchangeable interface to speed up back-extractions while using less energy intensive chemical swings.

Interfaces↗

Revisiting Understanding of Electrochemical CO 2 Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by Embedded Correlated Wavefunction Theory

Copper (Cu) electrodes, as the most efficacious of CO 2 reduction reaction (CO 2 RR) electrocatalysts, serve as prototypes for determining and validating reaction mechanisms associated with electrochemical CO 2 reduction to hydrocarbons. As in situ electrochemical mechanism determination by experiments is still out of reach, such mechanistic analysis typically is conducted using density functional theory (DFT). The semilocal exchange-correlation (XC) approximations most often used to model such catalysis unfortunately engender a basic error: predicting the wrong adsorption site for CO (a key CO 2 RR intermediate) on the most ubiquitous facet of Cu, namely, Cu(111). This longstanding inconsistency casts lingering doubt on previous DFT predictions of the attendant CO 2 RR kinetics. Here, we apply embedded correlated wavefunction (ECW) theory, which corrects XC functional error, to study the CO 2 RR on Cu(111) via both surface hydride (*H) transfer and proton-coupled electron transfer (PCET). We predict that adsorbed CO (*CO) reduces almost equally to two intermediates, namely, hydroxymethylidyne (*COH) and formyl (*CHO) at –0.9 V vs the RHE. In contrast, semilocal DFT approximations predict a strong preference for *COH. With increasing applied potential, the dominance of *COH (formed via potential-independent surface *H transfer) diminishes, switching to the competitive formation of both *CHO and *COH (both formed via potential-dependent PCET). Furthermore, our results also demonstrate the importance of including explicitly modeled solvent molecules in predicting electron-transfer barriers and reveal the pitfalls of overreliance on simple surface *H transfer models of reduction reactions.

30 DIRECT ENERGY CONVERSION↗

A spatio-temporally constrained gene regulatory network directed by PBX1/2 acquires limb patterning specificity via HAND2

A lingering question in developmental biology has centered on how transcription factors with widespread distribution in vertebrate embryos can perform tissue-specific functions. Here, using the murine hindlimb as a model, we investigate the elusive mechanisms whereby PBX TALE homeoproteins, viewed primarily as HOX cofactors, attain context-specific developmental roles despite ubiquitous presence in the embryo. We first demonstrate that mesenchymal-specific loss of PBX1/2 or the transcriptional regulator HAND2 generates similar limb phenotypes. By combining tissue-specific and temporally controlled mutagenesis with multi-omics approaches, we reconstruct a gene regulatory network (GRN) at organismal-level resolution that is collaboratively directed by PBX1/2 and HAND2 interactions in subsets of posterior hindlimb mesenchymal cells. Genome-wide profiling of PBX1 binding across multiple embryonic tissues further reveals that HAND2 interacts with subsets of PBX-bound regions to regulate limb-specific GRNs. Our research elucidates fundamental principles by which promiscuous transcription factors cooperate with cofactors that display domain-restricted localization to instruct tissue-specific developmental programs.

59 BASIC BIOLOGICAL SCIENCES↗

Faster recovery of North Atlantic tropical cyclone-induced cold wakes in recent decades

Intense winds associated with tropical cyclones (TCs) generate surface ocean cooling in their wakes, which can persist for several weeks in their aftermath. While multi-decadal observations of the sea surface have shown a substantial warming of the ocean, long-term changes in cold wake recovery time remain largely unknown. Here we find a trend toward faster recovery of TC cold wakes in the Atlantic main development region (MDR) since 2001. This is due primarily to a decrease in the strength of the North Atlantic trade winds, which reduces evaporative cooling of the ocean. The faster damping of TC cold wakes has led to a significant increase in the intensification of subsequent TCs that encounter lingering wakes from prior TCs, with a magnitude that is about 9% of that from long-term warming of the ocean. Finally, earth system model simulations indicate that the observed decrease in the cold wake recovery time will likely continue into the future.

54 ENVIRONMENTAL SCIENCES↗

Solid Cherenkov detector for studying nucleosynthesis in inertial confinement fusion

Measuring gamma rays emitted from nuclear reactions gives insight into their nuclear structure. Notably, there are several nuclear reactions that produce gamma rays at ~1 MeV–3 MeV energies such as T( 4 He, γ) 7 Li, 4 He( 3 He, γ) 7 Be, and 12 C(p, γ) 13 N, which may solve questions lingering about big-bang nucleosynthesis and stellar nucleosynthesis. To observe 1 MeV–3 MeV gamma rays in an inertial confinement fusion system, a new style of the Cherenkov detector was developed using aerogel and fused silica as a Cherenkov medium. Utilizing the OMEGA laser facility, both aerogel and fused silica media were compared with the existing gas-medium Cherenkov detector to validate the concept. Furthermore, gamma ray measurements from high yield inertial confinement fusion implosions (deuterium–tritium and deuterium– 3 He) demonstrated that aerogel and fused silica were viable Cherenkov media, paving the way for a potential optimized detector to make these cross section measurements on OMEGA or the National Ignition Facility.

47 OTHER INSTRUMENTATION↗

Improved reproducibility of metal halide perovskite solar cells via automated gas quenching

Achieving reproducible perovskite solar cell fabrication is crucial for making it a scalable technology. We demonstrate an automated gas quenching system to improve perovskite solar cell reproducibility at the lab-scale. We use in situ photoluminescence to monitor the perovskite film formation as a function of the atmosphere in the glove box and find that antisolvent quenching is more sensitive to lingering precursor solvents than the gas quenching method. We observe a better reproducibility with gas quenching than with antisolvent quenching because it maintains a more consistent atmosphere in the glove box. The automated gas quenching process leads to high performing devices that are reproducible both batch to batch and researcher to researcher. The insights into gas quenching film formation as a function of solvent atmosphere and quench velocity will help inform future studies on large scale fabrication systems.

14 SOLAR ENERGY↗

Bremsstrahlung constraints on proton-boron 11 inertial fusion

Proton-boron 11 (pB11) fusion is relatively safe and clean, but difficult to use for net power production, since bremsstrahlung radiation tends to radiate away power more quickly than it can be generated by fusion power, particularly once poisoning by alpha particles is taken into account. While in magnetic confinement fusion, this problem can be addressed by deconfining the alphas, in inertial confinement fusion (ICF), the alphas that heat the plasma linger for the duration of the reaction. Thus, it becomes essential to trap the bremsstrahlung radiation in the hotspot. Through burn simulations incorporating bremsstrahlung emission and reabsorption, we infer the necessary conditions to capture enough radiation to produce scientific breakeven in a pB11 ICF plasma. We find that breakeven requires a stagnation areal density roughly two orders of magnitude higher than the current state-of-the-art, at pressures three orders of magnitude higher.

Alpha particles↗

Large ecosystem-scale effects of restoration fail to mitigate impacts of land-use legacies in longleaf pine savannas

Ecological restoration is a global priority, with potential to reverse biodiversity declines and promote ecosystem functioning. Yet, successful restoration is challenged by lingering legacies of past land-use activities, which are pervasive on lands available for restoration. Although legacies can persist for centuries following cessation of human land uses such as agriculture, we currently lack understanding of how land-use legacies affect entire ecosystems, how they influence restoration outcomes, or whether restoration can mitigate legacy effects. Using a large-scale experiment, we evaluated how restoration by tree thinning and land-use legacies from prior cultivation and subsequent conversion to pine plantations affect fire-suppressed longleaf pine savannas. In this work, we evaluated 45 ecological properties across four categories: 1) abiotic attributes, 2) organism abundances, 3) species diversity, and 4) species interactions. The effects of restoration and land-use legacies were pervasive, shaping all categories of properties, with restoration effects roughly twice the magnitude of legacy effects. Restoration effects were of comparable magnitude in savannas with and without a history of intensive human land use; however, restoration did not mitigate numerous legacy effects present prior to restoration. As a result, savannas with a history of intensive human land use supported altered properties, especially related to soils, even after restoration. The signature of past human land-use activities can be remarkably persistent in the face of intensive restoration, influencing the outcome of restoration across diverse ecological properties. Understanding and mitigating land-use legacies will maximize the potential to restore degraded ecosystems.

60 APPLIED LIFE SCIENCES↗

New constraints on sodium production in globular clusters from the Na 23 ( He 3 , d ) Mg 24 reaction

The star-to-star anticorrelation of sodium and oxygen is a defining feature of globular clusters, but, to date, the astrophysical site responsible for this unique chemical signature remains unknown. Sodium enrichment within these clusters depends sensitively on reaction rate of the sodium destroying reactions 23 Na(p, γ) and 23 Na(p,α). In this paper, we report the results of a 23 Na( 3 He,d) 24 Mg transfer reaction carried out at Triangle Universities Nuclear Laboratory using a 21 MeV 3 He beam. Astrophysically relevant states in 24 Mg between 11 < E x < 12 MeV were studied using high-resolution magnetic spectroscopy, thereby allowing the extraction of excitation energies and spectroscopic factors. Bayesian methods are combined with the distorted wave Born approximation to assign statistically meaningful uncertainties to the extracted spectroscopic factors. For the first time, these uncertainties are propagated through to the estimation of proton partial widths. Our experimental data are used to calculate the reaction rate. The impact of the new rates are investigated using asymptotic giant branch star models. Furthermore, it is found that while the astrophysical conditions still dominate the total uncertainty, intramodel variations on sodium production from the 23 Na(p, γ) and 23 Na(p,α) reaction channels are a lingering source of uncertainty.

20 ≤ A ≤ 38↗

Automated Vehicle Multi-Object Tracking at Scale with CAN

Millions of vehicles are on the road with RADAR sensors in use for adaptive cruise control (ACC), and RADAR sen- sors are not tracking all of the objects in the field of view. This work shows a work-in-progress tool to improve track- ing from RADAR and controller area network (CAN) which should be vitally useful for safety of transportation systems and automated vehicle development. The CAN data provides object detections, but there is a lingering data association problem. The contribution of this work in progress is the solution to the data association problem by posing the data association as a minimum cost network flow problem, and doing it at low cost with an eye toward scalable CPS research.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Understanding Measurement Artifacts Causing Inherent Cation Gradients in Depth Profiles of Perovskite Photovoltaics with TOF-SIMS

Time-of-flight secondary-ion mass spectrometry (TOF-SIMS) is one of the few techniques that can obtain chemical information from the hybrid organic-inorganic perovskite solar cells (PSCs) in one dimension (standard depth profiling), two dimensions (high-resolution 100-nm imaging), as well as three dimensions (tomography combining high-resolution imaging with depth profiling). We have very recently developed thermo-mechanical methods to cleave perovskite samples at the back transparent conducting oxide/PSC interface. This allowed for depth-profiling from the back of the device to the front. The resultant profiles answered the lingering question of the apparent A-site cation gradient typically seen in TOF-SIMS depth profiles. In fact, this gradient is a measurement artifact due to beam damage that the community should be informed of as TOF-SIMS data become more commonly employed. Methods of mitigating this artifact by altering the measurement conditions are also presented.

14 SOLAR ENERGY↗

Policy-relevant differences between secondhand and thirdhand smoke: strengthening protections from involuntary exposure to tobacco smoke pollutants

Starting in the 1970s, individuals, businesses and the public have increasingly benefited from policies prohibiting smoking indoors, saving thousands of lives and billions of dollars in healthcare expenditures. Smokefree policies to protect against secondhand smoke exposure, however, do not fully protect the public from the persistent and toxic chemical residues from tobacco smoke (also known as thirdhand smoke) that linger in indoor environments for years after smoking stops. Nor do these policies address the economic costs that individuals, businesses and the public bear in their attempts to remediate this toxic residue. We discuss policy-relevant differences between secondhand smoke and thirdhand smoke exposure: persistent pollutant reservoirs, pollutant transport, routes of exposure, the time gap between initial cause and effect, and remediation and disposal. We examine four policy considerations to better protect the public from involuntary exposure to tobacco smoke pollutants from all sources. We call for (a) redefining smokefree as free of tobacco smoke pollutants from secondhandandthirdhand smoke; (b) eliminating exemptions to comprehensive smoking bans; (c) identifying indoor environments with significant thirdhand smoke reservoirs; and (d) remediating thirdhand smoke. We use the case of California as an example of how secondhand smoke-protective laws may be strengthened to encompass thirdhand smoke protections. The health risks and economic costs of thirdhand smoke require that smokefree policies, environmental protections, real estate and rental disclosure policies, tenant protections, and consumer protection laws be strengthened to ensure that the public is fully protected from and informed about the risks of thirdhand smoke exposure.

Public, Environmental & Occupational Health↗

Elucidating Sodium-Sulfur Battery Chemistry using Operando Transmission X-ray Microscopy and X-ray Absorption Spectroscopy

Room-temperature sodium-sulfur (Na-S) batteries offer a beneficial and cost-effective solution for powering modern electric grids and devices. However, Na-S batteries suffer from performance decay during battery cycling due to the sluggish kinetics and polysulfide shuttling. Revealing the conversion mechanism of the Na-S chemistry is critical to designing high-capacity and stable Na-S batteries. In this study, we employed operando X-ray microscopy and operando X-ray absorption spectroscopy to elucidate the sulfur conversion in a carbon host using an ether-based electrolyte. We reveal the structural and chemical evolution of the sulfur cathode during cycling, which results in volume expansion and the dissolution of active material, ultimately affecting the battery performance. Our work provides fundamental insight into the sulfur reaction scheme, addressing the lingering challenges before establishing inexpensive Na-S batteries for broad applications, including portable electronics and large-scale energy storage.

Jagadeesan, Sathya Narayanan [SLAC National Accele↗

A Method for Assessing Effectiveness and Technical Capabilities Required for Integrated Deterrence (NSLP-Final Report-Draft2022)

The United States faces an ever-increasingly multi-polar security environment dominated by great power competition with China and a lingering Russian threat as well as from would-be regional hegemons led by ambitions from Iran and North Korea. Our adversaries are pursuing and expanding the strategic means by-which they have an asymmetric offset (e.g., cyber, space, and other modes below the level of armed conflict). To combat and deter against the widening range of hostile actions, the U.S. must have additional capabilities with-which to deter. All of which drives us towards a more thoughtful integrated approach to deterrence, attempting to best align deterrent tools with the adversary actions in order to maximize the credibility of our deterrent. Such an approach complicates our deterrence strategy and demands a methodology to assess whether the U.S. has the deterrent tools necessary to deter the adversarial actions most costly to the U.S. To address this complexity, we create a framework to comprehensively and systematically assess our deterrent tools as qualitatively measured against the adversarial actions we wish to deter. Deterrence is ultimately an operation in the cognitive domain and at the heart of the framework presented here is the fundamental deterrence calculus which we use as the defining measure of whether a tool will credibly deter a given action. We describe the eight levers of the deterrence calculus and distill these levers to four products that are used to qualitatively assess the overall effectiveness of deterrence tools against adversarial actions. Credibility is determined by two principal variables: the technical credibility of the deterrent tool, and the principle of proportionality. Technical credibility of realized deterrence products is assessed through development of key mission requirements and hardware (e.g., components) that will impose costs, deny benefits, or encourage restraint. The principle of proportionality qualitatively asserts that for a deterrent tool to be cognitively credible, the costs imposed against, or benefits denied by, an action are commensurate to the magnitude of costs received from the adversarial action. By basing this framework on these two fundamentals, it is possible to compare deterrent tools in a systematic approach across the broad spectrum of hostile actions.

42 ENGINEERING↗

Radiation Effects on Line Heat Detection Cable AP Hot Cells Fire Detection at Brookhaven National Laboratory

Hot cells are used to safely shield workers from high radiation environments while allowing a process to take place within the cell's shielded enclosure, often with the assistance of remote manipulators. The interior of a cell may not be accessible by personnel for years at a time, either due to the lingering radiation environment or due to the constant use of these specialized pieces of equipment. High radiation levels are known to cause undesirable effects and changes to different materials in varying degrees. Selecting equipment for a radiation environment requires an evaluation of materials used (preferably completed assembles), to ensure all interactions of materials are known and ensure that the equipment will have a high degree of reliability and functionality over the intended life of the facility. Hot cells contain systems to support the primary purpose of the enclosure. Fire detection is one such support system. Safety of hot cell operations often establish limits on the amounts of combustibles with the cells, but the presence of some combustible materials is unavoidable. Fire detection is provided to quickly detect a fire and summon manual intervention before damage is too great. Detection may also be used to initiate fire suppression systems. As a safety system, fire detection needs to remain functional to protect the facility throughout the facility's life. Equally important is that the false alarms from the fire detection are minimized to retain confidence in the alarm system and avoid unnecessary interruptions in the hot cell operations. There are many types of fire detection available with various pros and cons. Not all types of fire detection are suited for hot cell application.

36 MATERIALS SCIENCE↗