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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The SAND detector for the DUNE experiment

The Deep Underground Neutrino Experiment (DUNE) is a next-generation project aiming to study several neutrino properties. It will feature two experimental setups: a near detector that will be installed at Fermilab, in proximity of the neutrino-production point, and a far detector at a distance of 1300 km and 1500 m underground, at the SURF laboratory. The DUNE design and configuration will allow the study of neutrino oscillation, astrophysical neutrinos, and beyond standard model physics. The near detector complex foresees three detectors to be installed. Among these, the System for on-Axis Neutrino Detection (SAND) will serve as on-axis beam monitor, reduce the systematic uncertainties for the oscillation analysis, and search for physics beyond the standard model. SAND will be composed of three sub-detectors, surrounded by a 0.6 T superconducting magnet. The outermost detector will be a lead/scintillating-fiber electromagnetic calorimeter while the inner volume will include a 1-ton liquid argon active target placed upstream followed by a target tracker system. The SAND detector and its goals will be shown in this poster.

Alemanno, Francesca [Salento U.; INFN, Lecce]↗
DOE OSTI2020

Divertor heat flux challenge and mitigation in SPARC

Owing to its high magnetic field, high power, and compact size, the SPARC experiment will operate with divertor conditions at or above those expected in reactor-class tokamaks. Power exhaust at this scale remains one of the key challenges for practical fusion energy. Based on empirical scalings, the peak unmitigated divertor parallel heat flux is projected to be greater than 10 GW m -2 . This is nearly an order of magnitude higher than has been demonstrated to date. Furthermore, the divertor parallel Edge-Localized Mode (ELM) energy fluence projections (~11–34 MJ m -2 ) are comparable with those for ITER. However, the relatively short pulse length (~25 s pulse, with a ~10 s flat top) provides the opportunity to consider mitigation schemes unsuited to long-pulse devices including ITER and reactors. The baseline scenario for SPARC employs a ~1 Hz strike point sweep to spread the heat flux over a large divertor target surface area to keep tile surface temperatures within tolerable levels without the use of active divertor cooling systems. In addition, SPARC operation presents a unique opportunity to study divertor heat exhaust mitigation at reactor-level plasma densities and power fluxes. Not only will SPARC test the limits of current experimental scalings and serve for benchmarking theoretical models in reactor regimes, it is also being designed to enable the assessment of long-legged and X-point target advanced divertor magnetic configurations. Experimental results from SPARC will be crucial to reducing risk for a fusion pilot plant divertor design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Assessment of MiniFuel Subcapsule Design Recommendations on Previous Experiments

MiniFuel describes the class of separate effects nuclear fuels irradiation experiments that have been conducted in the High Flux Isotope Reactor (HFIR) since 2018. These experiments comprise a stack of six fuel-bearing subcapsules contained in a stainless steel target housing that is in contact with HFIR coolant on its exterior. All MiniFuel targets have a near-standardized architecture, and the primary design variables that change between experiments are the radial gap size between the subcapsule and housing and the target fill gas composition. Finite element heat transfer models are used to determine the optimum gas composition and gap sizes, and recent studies were performed to identify model parameters that contribute the most uncertainty to fuel specimen temperature predictions. That work, which is referenced herein, also recommended a set of design modifications to the subcapsule internal architecture and assembly process. These modifications are intended to reduce fuel temperature uncertainty in future experiments. In this report, the subcapsule design modifications were retroactively applied to a previously conducted MiniFuel experiment to determine how these changes affect the established safety and performance envelope of the experimental capability. These effects were determined in two steps. First, the modifications were applied to the subcapsule design without any other changes to determine their isolated effect on the predicted fuel specimen temperatures. This portion of the analysis showed that fuel temperatures were modestly reduced because the implemented changes improved heat transfer efficacy. Next, traditional MiniFuel design activities (i.e., sizing the gas gaps and determining the fill gas composition) were reperformed, and they confirmed that the original desired fuel temperatures could be achieved while remaining within established safety limits. Therefore, this report demonstrates improved performance resulting from the subcapsule modifications, which mitigate uncertainty while meeting the objectives of past experiments. An additional benefit of the design changes is reduced sensitivity of the fuel temperature to the evolving flux spectrum in HFIR, leading to more stable temperatures and enhanced utility of MiniFuel as a separate effects irradiation platform.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

The CHIMERAS project: design framework for the Collisionless HIgh-beta Magnetized Experiment Researching Astrophysical Systems

From the near-Earth solar wind to the intracluster medium of galaxy clusters, collisionless, high-beta, magnetized plasmas pervade our universe. Energy and momentum transport from large-scale fields and flows to small-scale motions of plasma particles is ubiquitous in these systems, but a full picture of the underlying physical mechanisms remains elusive. The transfer is often mediated by a turbulent cascade of Alfvénic fluctuations as well as a variety of kinetic instabilities; these processes tend to be multi-scale and/or multi-dimensional, which makes them difficult to study using spacecraft missions and numerical simulations alone. Meanwhile, existing laboratory devices struggle to produce the collisionless, high ion beta (β i ≳ 1), magnetized plasmas across the range of scales necessary to address these problems. As envisioned in recent community planning documents, it is therefore important to build a next generation laboratory facility to create a β i ≳ 1, collisionless, magnetized plasma in the laboratory for the first time. A working group has been formed and is actively defining the necessary technical requirements to move the facility towards a construction-ready state. Recent progress includes the development of target parameters and diagnostic requirements as well as the identification of a need for source-target device geometry. As the working group is already leading to new synergies across the community, we anticipate a broad community of users funded by a variety of federal agencies (including National Aeronautics and Space Administration, Department of Energy and National Science Foundation) to make copious use of the future facility.

astrophysical plasmas↗
DOE OSTI2025

Graph-Based Prediction of Spatio-Temporal Vaccine Hesitancy From Insurance Claims Data

Growing vaccine hesitancy is contributing to the decline in immunization rates for highly contagious, vaccine-preventable childhood diseases. Therefore, there has been a significant interest in understanding how hesitancy is spreading at higher spatio-temporal resolutions, enabling more targeted interventions. Motivated by this, we study the problem of prediction of vaccine hesitancy at the ZIP Code level, referred to as the VaxHesitancy problem. A significant challenge for this problem is the lack of high-resolution data that indicates hesitancy. Here, we develop a hybrid VaxHesSTL framework that combines a Graph Neural Network (GNN) and a Recurrent Neural Network (RNN) to address the VaxHesitancy problem. The GNN uses a ZIP Code-level network to capture spatial signals from neighboring areas, while the RNN models the temporal dynamics present in the data. We train and evaluate VaxHesSTL using a large dataset, namely the All-Payer Claims Databases (APCD), for Virginia, consisting of insurance claims from over five million individuals for six years. We find that an aggregated contact network or graph, developed from a detailed activity-based population network, plays an important role in the performance of VaxHesSTL, compared to graph models based solely on spatial proximity. Experiments demonstrate that VaxHesSTL outperforms a range of state-of-the-art baselines, which rely solely on historical time series data without accounting for spatial relationships. Since hesitancy data at higher spatial resolution is often unavailable or hard to get, we incorporate an active learning approach with our VaxHesSTL framework to optimize the training set without compromising the prediction performance. We find that hesitancy data for only 18% of ZIP Codes selected by active learning allows us to forecast hesitancy for all the ZIP Codes in the Virginia.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Spin squeezing in an ensemble of nitrogen–vacancy centres in diamond

Spin-squeezed states provide a seminal example of how the structure of quantum mechanical correlations can be controlled to produce metrologically useful entanglement. These squeezed states have been demonstrated in a wide variety of quantum systems ranging from atoms in optical cavities to trapped ion crystals. By contrast, despite their numerous advantages as practical sensors, spin ensembles in solid-state materials have yet to be controlled with sufficient precision to generate targeted entanglement such as spin squeezing. Here we report the experimental demonstration of spin squeezing in a solid-state spin system. Our experiments are performed on a strongly interacting ensemble of nitrogen–vacancy colour centres in diamond at room temperature, and squeezing (−0.50 ± 0.13 dB) below the noise of uncorrelated spins is generated by the native magnetic dipole–dipole interaction between nitrogen–vacancy centres. To generate and detect squeezing in a solid-state spin system, we overcome several challenges. First, we develop an approach, using interaction-enabled noise spectroscopy, to characterize the quantum projection noise in our system without directly resolving the spin probability distribution. Second, noting that the random positioning of spin defects severely limits the generation of spin squeezing, we implement a pair of strategies aimed at isolating the dynamics of a relatively ordered sub-ensemble of nitrogen–vacancy centres. Furthermore, our results open the door to entanglement-enhanced metrology using macroscopic ensembles of optically active spins in solids.

Atomic and molecular physics↗
DOE OSTI2026

Untargeted, tandem mass spectrometry (LC/MS-MS) metaproteomes from soil samples in control and warming plots in Blodgett Forest, CA (2014-2021)

The pathways of carbon transport and loss through and from soils—soil organic matter (SOM) depolymerization to dissolved organic carbon and mineralization to carbon dioxide (CO2)—are fundamentally driven by microbial activity, which is strongly regulated by environmental conditions. As part of Lawrence Berkeley National Laboratory (LBNL) Terrestrial Ecosystem Science (TES) Belowground Biogeochemistry Science Focus Area (SFA), we have established a novel whole-soil long-term warming experiment at the University of California (UC) Blodgett Forest Research Station (Sierra Nevada) in 2014, where we study the role of biogeochemical, microbial and geochemical process interactions in SOM decomposition and stabilization. This package contains soil metaproteomics data in the context of site specific metagenomes from soil depth profiles in three paired control and warming plots from a temperate mixed forest in Northern California. Each paired plot had been subjected to experimental warming since June 2014 to simulate a predicted climate change scenario for northern California. These metaproteomes were collected in 2018 after 4.5 years of warming from five depth intervals (0-10 cm, 10-30 cm, 30-45 cm, 45-60 cm, 60-80 cm). For protein identification, the collected spectra were searched following a target-decoy search strategy against a database of metagenome predicted proteins (covering 96 samples from 2014 to 2021) representing the complete sequence diversity at the site. Data was searched with mass spectrometry database search tool (MS-GF+) using Pacific Northwest National Laboratory (PNNL)'s Data Management System (DMS) Processing pipeline. The metagenomes are published as part of another data package. Raw metaproteomic data and the data products from MS-GF+ are deposited in the Mass Spectrometry Interactive Virtual Environment (MassIVE) database under accession no. MSV000097826. Here we present a dataset that includes spectral counts for the detected proteins across samples (EMSL50964_BrodieAllMAGs_Globals_SC.txt), the sequences of the detected proteins, and sample metadata file that contains site information for the soil metaproteome samples.

Belowground Biogeochemistry Science Focus Area↗
DOE OSTI2025

Destructive Analysis of TRISO Particles: Crush/Burn/Leach Followed by Davies-Gray Titration and IDMS

The accurate accounting of nuclear materials is a cornerstone of international nuclear safeguards. One emerging challenge in this domain is the fabrication of TRIstructural ISOtropic (TRISO) particle fuels. Although these innovative fuel forms are critical for advanced reactor applications, their robust refractory ceramics and coating compositions present significant obstacles to destructive analysis (DA) methods. Ensuring full and quantitative recovery from these particles is essential for accurate mass accountancy. The current study was initiated to address these challenges, first by validating a previously established destructive method developed by Oak Ridge National Laboratory (ORNL) for the quantitative recovery of uranium from TRISO particles and then following that process with uranium content determination through isotope dilution mass spectrometry (IDMS) and Davies-Gray titration. This study expands on the scope of a digestive method that was developed under the Advanced Gas Reactor Fuel Development and Qualification program and is currently implemented in both the Coated Particle Fuel Development Laboratory and Irradiated Fuels Examination Laboratory at ORNL. The success of the previous Advanced Gas Reactor work relied on developing a DA method to evaluate the fabrication process and reactor experiments. The methodology described in this report was designed to rigorously investigate the efficacy of the crush/burn/leach sample preparation of TRISO particles; it aims to quantify uranium recovery while also assessing the effects of TRISO constituents (e.g., silicon and zirconium) on analytical precision and accuracy. By comparing the results from the titration method and IDMS, we sought to determine whether existing analytical procedures accepted by the International Atomic Energy Agency (IAEA) could be effectively translated to TRISO fuel forms. The team employed an approach that involved processing replicate TRISO samples, optimizing the milling (i.e., crushing) step and performing serial leaches. The elemental composition of the analytical samples was examined to prepare for interference studies in the second year of this project. The integration of gamma spectrometry to verify residual uranium activity further strengthened the validation. Statistical methods were applied to the collected data to evaluate the uncertainties arising from sampling, sample preparation and uranium quantification. These uncertainties were then compared to the IAEA’s international target values (ITVs). Additional data collected in upcoming project work will strengthen the uncertainty estimates. Ultimately, it is hoped that this project will contribute materially to the body of work related to characterization of TRISO based fuels for the purpose of material accountancy and its applications to international safeguards.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Timing resolution and rate capability of Photonis miniPlanacon XPM85212/A1-S MCP-PMT

In this paper we report on a set of experiments that focus on measuring the timing performance of the Photonis miniPlanacon XPM85212/A1-S microchannel plate photomultiplier tubes along with the detector response at high event rates. The detector has a single photoelectron timing resolution of 30 ps at low rates ( 10 kHz ). We show that both the gain and the timing start to deteriorate around 1 MHz with 20 photoelectrons per channel at 1 0 4 target gain, giving the current per unit of area limits of 1.38 μ A / cm 2 and 2.38 μ A / cm 2 for the two tested devices. Photo-multiplier tubes with lower micro-channel plate resistivity exhibit a better rate capability due to the faster replenishment of the charge inside the microchannels. As we demonstrate, another method to improve the rate capability is to operate the photon detector tubes at a lower gain by reducing the supply voltage and compensating for the loss of amplitude by an additional amplification stage at the expense of the achieved timing resolution. The tube active area over which the beam is spread also plays a role since the same amount of light yields a better rate capability when spread over a larger area. The tubes exposed to high event rates showed an uncharacteristically slow recovery back to its initial gain with 80 % of the initial gain recovered only after several tens of minutes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Hypervelocity impact flash expansion geometry under various spacecraft surface electrical conditions

A more congested space environment due to increasing space activities introduces new threats to spacecraft operators. Among these threats include hypervelocity impacts from microparticles (< 1 µg) in the form of meteoroids and space debris. These microparticles travel at speeds between 11.2 and 72.8 km/s with respect to the Earth and can impact spacecraft forming a small (~1 µm) and dense (~ 10 26 m -3 ) plasma. This plasma can generate a strong optical emission (impact flash) and a radio frequency (RF) emission. These emissions can lead to spacecraft electrical anomalies when the impacted spacecraft surface (target) carries high electrical potential due to various space weather effects. To understand the microparticle hypervelocity impact plasma and its associated threat to spacecraft electronics, we studied the hypervelocity impact flash expansion geometry under various spacecraft surface electrical conditions. Three high-speed broadband photomultiplier tubes (PMT) are used to capture the temporal evolution of the impact flash and the temporal evolution of the angular distribution of the impact flash expansion geometry in a 3 MV electrostatic dust accelerator during a ground-based experiment. Overall, results indicate that the impact surface electrical condition has a statistically significant influence on the impact flash geometry, and a strong similarity between the impact plasma and flash expansion geometry. Thus, this paper provides new experimental support for the impact flash origin from and connection with the impact plasma, and serves as the first impact flash expansion geometry characterization under various impact surface electrical conditions in a collisionless environment (< 10 -5 Torr).

42 ENGINEERING↗
DOE OSTI2021

Materials and Fuels Complex Five-Year Mission Strategy (FY21- FY25)

The Idaho National Laboratory (INL), through its designated mission of advancing innovative nuclear energy solutions, is actively engaged in the research, development, demonstration and deployment of advanced nuclear technology, as well as in fostering private-public partnership for technology development. Key to the success of INL’s mission is the Materials and Fuels Complex (MFC), the only complex in the U.S. that hosts a world-class assemblage of facilities, capabilities and instruments for handling, testing, and characterizing radioactive materials. Driven by its mission/vision of “Engineering and Experiments that Drive the World’s Nuclear Energy Future,” MFC is at the center of INL’s – and indeed the Department of Energy’s – advanced nuclear technology development initiatives, providing essential capabilities such as engineering-scale high-assay low-enriched uranium (HALEU) fuel production, reactor demonstration facilities, post-irradiation examination, and transient irradiation testing. Furthermore, MFC provides an ideal environment for test beds that are utilized for research, development and demonstration (RD&D) activities on used fuel treatment, nuclear non-proliferation, forensics, and nuclear power sources used for space exploration missions conducted by the National Aeronautics and Space Administration (NASA).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Isotope-Specific Analysis of Neutron-Irradiated Lithium Aluminate Ceramics by Nuclear Magnetic Resonance Spectroscopy

The effects of neutron irradiation on lithium aluminate targets and the permeation of tritium into surrounding components are primary concerns in the development of materials for use in tritium production. The high specific activity and volatility of the tritium in activated samples greatly increase the challenges of experimental analysis. This paper reports the determination of the chemical forms and quantities of H-3 and Li-6 in irradiated and non-irradiated LiAlO2 by nuclear magnetic resonance (NMR) spectroscopy, and demonstrates that measurements can be performed in a non-destructive, safe manner to obtain isotope-selective, quantitative information on highly hazardous materials.

Tritium, solid state nuclear magnetic resonance sp↗
DOE OSTI2025

SpinQuest Polarized Target System

The SpinQuest experiment at Fermilab uses a solid-state polarized ammonia target held at a magnetic field of 5 T, immersed in liquid helium-4, which is held at approximately 1K by the evaporation refrigerator. The refrigerator provides the required cooling power during the dynamic nuclear polarization (DNP) process and the high intensity interaction with the 120 GeV proton beam from the Fermilab main injector. The refrigerator was designed in compliance with the American Society of Mechanical Engineers (ASME) to operate safely at Fermilab. The high pumping capacity ($17,000 \:m^3/h$) roots stack provides the required pumping speed during DNP production data taking and a custom-made radiation hard flow control valve regulates the refrigerator temperature during the thermal equilibrium calibration measurements. The frequency of the microwave generator, an Extended Interaction Oscillator (EIO), is automated to keep the maximum polarization while the (Nuclear Magnetic Resonance) NMR system continuously measures the polarization of the target material. In this talk, an overview of the SpinQuest polarized target system will be presented as well as a brief report of recent commissioning activities and target performance during the early production runs in 2024.

Bandara, Vibodha [Colombo U.]↗
DOE OSTI2026

Active Learning‐Driven Inkless Additive Nanomanufacturing for Printed Electronics

Inkless additive nanomanufacturing for printed electronics promises broad material and substrate versatility, yet the high-dimensional print parameter space makes tuning print parameters time-intensive. We present a Bayesian optimization study that constructs a digital twin from printed-silver data to benchmark surrogate models, acquisition functions, and batch sizes head-to-head to achieve user-specified target resistance. Tested surrogate models included Gaussian process, random forest, and Bayesian neural network surrogates with expected improvement and confidence bound acquisition functions. In total, we evaluate 48 unique model configurations alongside a random sampling baseline for comparison. For printed silver, the Bayesian neural network with a batch size of one achieved the lowest average cumulative regret, approximately four times more efficient on average than random sampling. To balance performance and substrate space, a random forest model with expected improvement and a batch size of four was chosen as the model for validation testing. Applying this chosen configuration to copper with an additional print parameter, the model achieved a resistance within 0.15 Ω of a 1 Ω target in fewer than 30 printed lines across five validation sets. Altogether, the workflow yields a tuned and validated model that efficiently guides experiments toward the target while simultaneously learning the parameter space.

Bevel, Colton [Auburn University, AL (United State↗
DOE OSTI2026

Experimental investigation of a closed vapour box module for a divertor-like configuration in Magnum-PSI

Efficient management of extreme heat fluxes in the divertor region to extend the lifetime of the components remains a critical challenge for the realization of nuclear fusion-based power plants. Among the alternative concepts explored for the divertor region, the use of liquid metals, particularly lithium, is of interest due its ability to dissipate the incoming plasma heat flux through the vapour shielding effect (VS). In this work, we experimentally investigated a ‘closed’ configuration of a dedicated Vapour Box Module (VBM) in the linear plasma device Magnum-PSI. The goal of the experiments is to simulate the vapour box divertor environment conditions and assess its performance in terms of power mitigation and redistribution and lithium confinement. Initial testing without Li demonstrated the efficacy of a closed VBM structure in inducing detachment via neutral gas accumulation. Apertures which enabled non-condensing gas to be effectively pumped while ensuring lithium condensed on the inner surfaces were therefore added. With a lithium capillary porous structure target used, lithium is directly vaporized by the plasma, forming a dense lithium vapour cloud that interacts with the incoming plasma. This resulted in a significant reduction of the target temperature of at least 48%, together with a temperature locking effect, a phenomenon typically observed in the VS regime. Lithium vapour confinement within the VBM was strongly correlated with the wall temperature. Relatively cold walls promoted Li re-condensation and therefore improved Li confinement, although with the expected trade-off of increased hydrogenic retention on lithium-wetted surfaces. As the wall temperature increased, the confinement efficiency decreased, consistent with reduced Li re-condensation and thermally activated Li–H chemistry and remobilization at the walls. Diagnostic measurements through embedded thermocouples and calorimetry revealed that lithium vaporization and re-condensation processes also playedsignificant roles in plasma power dissipation. The results advance the case for a closed divertor chamber with direct lithium evaporation from the strike-points as a viable method to manage divertor heat fluxes in future fusion reactors.

Romano, Fabio [Dutch Institute for Fundamental Ene↗
DOE OSTI2025

First Measurement of Charged Current Muon Neutrino-Induced Kaon Production on Argon

The Micro Booster Neutrino Experiment (MicroBooNE) is a liquid argon time projection chamber (LArTPC) neutrino detector with an 85-ton active volume, located on-axis to the Booster Neutrino Beamline (BNB) at Fermilab. The detector is exposed to a neutrino flux with average energy of 800 MeV and was designed to study neutrino interactions on argon, particularly in the 1 GeV energy range. Among its main goals is the investigation of neutrino-induced strange particle production at final-state, with a specific interest on charged kaons ($K^{+}$). The understanding of this neutrino interaction is crucial for refining background models in future nucleon decay searches on others LArTPCs experiments such as the Deep Underground Neutrino Experiment (DUNE). Additionally, the techniques developed for the identification of neutrino-induced $K^{+}$ will contribute to improving particle identification methods in LArTPC-based detectors. This thesis is reporting the first-ever measurement of the flux-integrated cross section for charged-current muon neutrino-induced $K^{+}$ production on argon, determined to be $7.93 \pm 3.27(\text{stat.}) \pm 2.92(\text{syst.}) \times 10^{-42}$ cm$^2$/nucleon, based on the MicroBooNE dataset corresponding to $6.88 \times 10^{20}$ Protons on Target (POT).

Rodriguez Rondon, Jairo H. [South Dakota Sch. Mine↗
DOE OSTI2024

Validation of SOLPS-ITER and EDGE2D-EIRENE simulations for H, D, and T JET ITER-like wall low-confinement mode plasmas

Both experiments and simulations with SOLPS-ITER and EDGE2D-EIRENE show that the onset of detachment for the low-field side (LFS) divertor – defined here as the line-averaged upstream density (〈n e 〉 edge ) at which the plasma flux to the LFS target (I LFS-plate ) starts to decrease with increasing 〈n e 〉 edge – is independent of the isotope mass. However, there are three major simulation-experiment discrepancies: (i) the absolute values of I LFS-plate and the electron density (n e ) in the LFS divertor at the onset of detachment are significantly lower in simulations, i.e., approximately a factor of 2 for I LFS-plate and a factor of 3-4 for n e ; (ii) the degree of detachment – defined here as the difference between I LFS-plate at the onset of detachment and at an 〈n e 〉 edge value close to the density limit – is smaller in simulations compared to experiments; and (iii) the experimentally observed larger degree of detachment for D and T plasmas compared to H plasmas cannot be clearly distinguished from the simulation results. There are strong indications that discrepancy (i) is to a large extent caused by neglecting Lyman-opacity effects in our simulations. The simulations predict a similar net volumetric recombination source for all isotopes due to the fact that molecule-activated recombination (MAR) compensates for the reduced electron–ion recombination (EIR) for H, whereas MAR is negligible for D and T. This similar net volumetric recombination source for all isotopes leads to an isotope-independent degree of detachment in simulations. An analysis of the Balmer-α and Balmer-$γ$ emission confirms the underestimate of MAR in simulations (especially for D and T) for the JET metallic wall, which was previously observed for devices with a carbon wall. The underestimate of MAR is an important cause for discrepancy (ii) and the fact that there is a stronger underestimate of MAR for D and T than for H explains discrepancy (iii). Extending the plasma grid to the vessel wall increases I LFS-plate and n e at the onset of detachment by 25%, and the EIR source increases by 80% in detached conditions. Hence, while the extended grid results are closer to the experimental observations, the previously described qualitative discrepancies still persist.

Balmer emission↗
DOE OSTI2021

Development of a CNS-permeable reactivator for nerve agent exposure: an iterative, multi-disciplinary approach

Nerve agents have experienced a resurgence in recent times with their use against civilian targets during the attacks in Syria (2012), the poisoning of Sergei and Yulia Skripal in the United Kingdom (2018) and Alexei Navalny in Russia (2020), strongly renewing the importance of antidote development against these lethal substances. The current standard treatment against their effects relies on the use of small molecule-based oximes that can efficiently restore acetylcholinesterase (AChE) activity. Despite their efficacy in reactivating AChE, the action of drugs like 2-pralidoxime (2-PAM) is primarily limited to the peripheral nervous system (PNS) and, thus, provides no significant protection to the central nervous system (CNS). This lack of action in the CNS stems from their ionic nature that, on one end makes them very powerful reactivators and on the other renders them ineffective at crossing the Blood Brain Barrier (BBB) to reach the CNS. In this report, we describe the use of an iterative approach composed of parallel chemical and in silico syntheses, computational modeling, and a battery of detailed in vitro and in vivo assays that resulted in the identification of a promising, novel CNS-permeable oxime reactivator. Additional experiments to determine acute and chronic toxicity are ongoing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗