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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Neutral band gap of carbon by quantum Monte Carlo methods

We present a method of calculating the energy gap of a charge-neutral excitation using only ground-state calculations. We report Quantum Monte Carlo calculations of Γ→ Γ and Γ → X particle-hole excitation energies in diamond carbon. We analyze the finite-size effect and find the same 1/L decay rate as that in a charged excitation, where L is the linear extension of the supercell. This slow decay is attributed to the delocalized nature of the excitation in supercells too small to accommodate excitonic binding effects. At larger system sizes, the apparent 1/L decay crosses over to a 1/L 3 behavior. Estimation of the scale of exciton binding can be used to correct finite-size effects of neutral gaps.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A 1D Lyman-alpha Profile Camera for Plasma Edge Neutral Studies on the DIII-D Tokamak

A one dimensional, absolutely calibrated pinhole camera system was installed on the DIII-D tokamak to measure edge Lyman-alpha (Ly-a) emission from hydrogenic isotopes which can be used to infer neutral density and ionization rate proles. The system is composed of two cameras, each providing a toroidal fan of twenty lines of sight, viewing the plasma edge on the inboard and outboard side of DIII-D. The cameras' views lie in a horizontal plane 77 cm below the midplane. At its tangency radius, each channel provides a radial resolution of approximately 2 cm full width at half maximum (FWHM) with a total coverage of 22 cm. Each camera consists of a rectangular pinhole, Ly-a reflective mirror, narrow-band Ly-a transmission fiter, and a 20 channel AXUV photodetector. The combined mirror and transmission fiter have a FWHM of 5 nm, centered near the Ly-a wavelength of 121.6 nm and is capable of rejecting significant, parasitic carbon-III (C-III) emission from intrinsic plasma impurities. To provide a high spatial resolution measurement in a compact footprint, the camera utilizes advanced engineering and manufacturing techniques including 3D printing, high stability mirror mounts, and a novel alignment procedure. Absolutely calibrated, spatially resolved Ly-a brightness measurements utilize a bright, isolated line with low parasitic surface reflections and enable quantitative comparison to modeling to study divertor neutral leakage, main chamber fueling and radial particle transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Deep modelling of plasma and neutral fluctuations from gas puff turbulence imaging

The role of turbulence in setting boundary plasma conditions is presently a key uncertainty in projecting to fusion energy reactors. To robustly diagnose edge turbulence, we develop and demonstrate a technique to translate brightness measurements of HeI line radiation into local plasma fluctuations via a novel integrated deep learning framework that combines neutral transport physics and collisional radiative theory for the $3^3 D - 2^3 P$ transition in atomic helium. The tenets for experimental validity are reviewed, illustrating that this turbulence analysis for ionized gases is transferable to both magnetized and unmagnetized environments with arbitrary geometries. Based upon fast camera data on the Alcator C-Mod tokamak, we present the first 2-dimensional time-dependent experimental measurements of the turbulent electron density, electron temperature, and neutral density revealing shadowing effects in a fusion plasma using a single spectral line.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

MicroBooNE's First Search for the MiniBooNE Anomalous Excess Under a Photon-Like Hypothesis with High-Sensitivity Search for Neutrino-Induced Neutral Current Delta Production and Radiative Decay

MicroBooNE is a liquid argon time projection chamber that collected neutrino data at Fermilab's Booster Neutrino Beam from 2015 to 2020. One of its primary goals is to investigate the “Low Energy Excess” of neutrino events observed by the MiniBooNE experiment, for which candidate photon-like interpretations include an underestimation of neutrino neutral current (NC) resonant $\Delta$ production with subsequent radiative decay or another anomalous source of single photon production in neutrino interactions. In particular, NC $\Delta$ radiative decay is poorly constrained background process to electron neutrino measurements and could be a sizable contribution to the “Low Energy Excess.” This thesis will present the analysis developed to search for NC $\Delta \rightarrow N\gamma$ events in MicroBooNE, consisting of a boosted decision tree based event selection with an NC neutral pion background constraint, using data from the first three years of operations corresponding to $6.9\times10^{20}$ POT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Homopiperazine-based catalysts for neutralization of organophosphorus-based compounds

Novel compositions of matter based on homopiperazine precursor materials and forming a homopiperazine-based ligand are disclosed, along with suitable techniques and materials for the synthesis and utilization thereof. In particular various synthetic schemes and techniques for applying the disclosed compositions of matter as a decontaminating agent. The decontaminating agents include homopiperazine-based ligand-metal complexes that are particularly effective at neutralizing toxicity of nerve agents, pesticides, and other toxic organophosphorus-based compounds. In preferred approaches, the homopiperazine-based ligand-metal complexes act as catalysts to facilitate substitution of a leaving group of the organophosphorus-based compound with a functional group that does not permit the organophosphorus-based compound to inactivate acetylcholinesterase upon introduction of the organophosphorus-based compound to a living organism such as insects and mammals. Advantageously, the catalytic homopiperazine-based ligand-metal complexes are formed using inexpensive, readily-available precursor materials, and may be utilized to neutralize toxins without relying on damaging caustic reactants or environmentally unfriendly organic solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Adaptive, self-tuning virtual sensing system for cyber-attack neutralization

An industrial asset may have a plurality of monitoring nodes, each monitoring node generating a series of monitoring node values over time representing current operation of the industrial asset. An abnormality detection computer may determine that an abnormal monitoring node is currently being attacked or experiencing a fault. An autonomous, resilient estimator may continuously execute an adaptive learning process to create or update virtual sensor models for that monitoring node. Responsive to an indication that a monitoring node is currently being attacked or experiencing a fault, a level of neutralization may be automatically determined. The autonomous, resilient estimator may then be dynamically reconfigured to estimate a series of virtual node values based on information from normal monitoring nodes, appropriate virtual sensor models, and the determined level of neutralization. The series of monitoring node values from the abnormal monitoring node or nodes may then be replaced with the virtual node values.

Abbaszadeh, Masoud↗
DOE OSTI2023

Virtual sensor supervised learning for cyber-attack neutralization

An industrial asset may have monitoring nodes that generate current monitoring node values. A dynamic, resilient estimator may split a temporal monitoring node space into normal and one or more abnormal subspaces associated with different kinds of attack vectors. According to some embodiments, a neutralization model is constructed and trained for each attack vector using supervised learning and the associated abnormal subspace. In other embodiments, a single model is created using out-of-range values for abnormal monitoring nodes. Responsive to an indication of a particular abnormal monitoring node or nodes, the system may automatically invoke the appropriate neutralization model to determine estimated values of the particular abnormal monitoring node or nodes (e.g., by selecting the correct model or using out-of-range values). The series of current monitoring node values from the abnormal monitoring node or nodes may then be replaced with the estimated values.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

EXCLUSIVE NEUTRAL PION ELECTROPRODUCTION CROSS SECTION MEASUREMENTSWITHANEUTRALPARTICLE SPECTROMETER

Deep Virtual Compton Scattering (DVCS), the exclusive electron-proton scattering process ep ¿e'p'¿, provides access to generalized parton distributions (GPDs), which correlate information about the longitudinal momentum and transverse spatial structure of quarks inside the nucleon. Experiment E12-13-010 in Hall C at Jefferson Lab was designed to take high-precision measurements of the DVCS cross section over an extended kinematic range using the newly commissioned Neutral Particle Spectrometer (NPS). The NPS features a high-resolution electromagnetic calorimeter and a streaming data acquisition system optimized for operation at high luminosities. This thesis presents the detector and analysis work carried out to support the NPS DVCS program. In particular, it focuses on the hardware design, calibration, and performance of the calorimeter. A development of a waveform reconstruction analysis of the calorimeter signals enabled improved extraction of pulse amplitudes and times. The waveform analysis was also extended to operate in a multithreaded environment, substantially reducing processing time for large datasets. Analysis of exclusive neutral pion electroproduction events in the calorimeter gives a strong validation of the calorimeter’s performance and resolution. Together these developments establish a foundation for future analyses and extraction of the DVCS cross section and its use in constraining the GPDs.

Kerver, Mitchell [Old Dominion Univ., Norfolk, VA ↗
DOE OSTI2020

A Combination of Human Broadly Neutralizing Antibodies against Hepatitis B Virus HBsAg with Distinct Epitopes Suppresses Escape Mutations

Although there is no effective cure for chronic hepatitis B virus (HBV) infection, antibodies are protective and correlate with recovery from infection. To examine the human antibody response to HBV, we screened 124 vaccinated and 20 infected, spontaneously recovered individuals. The selected individuals produced shared clones of broadly neutralizing antibodies (bNAbs) that targeted 3 non-overlapping epitopes on the HBV S antigen (HBsAg). Single bNAbs protected humanized mice against infection but selected for resistance mutations in mice with prior established infection. In contrast, infection was controlled by a combination of bNAbs targeting non-overlapping epitopes with complementary sensitivity to mutations that commonly emerge during human infection. The co-crystal structure of one of the bNAbs with an HBsAg peptide epitope revealed a stabilized hairpin loop. This structure, which contains residues frequently mutated in clinical immune escape variants, provides a molecular explanation for why immunotherapy for HBV infection may require combinations of complementary bNAbs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Search for flavor-changing neutral current interactions of the top quark and the Higgs boson decaying to a bottom quark-antiquark pair at $ \sqrt{s} $ = 13 TeV

A search for flavor-changing neutral current interactions of the top quark (t) and the Higgs boson (H) is presented. The search is based on a data sample corresponding to an integrated luminosity of 137 fb-1 recorded by the CMS experiment at the LHC in proton-proton collisions at √s = 13 TeV. Events containing exactly one lepton (muon or electron) and at least three jets, among which at least two are identified as originating from the hadronization of a bottom quark, are analyzed. A set of deep neural networks is used for kinematic event reconstruction, while boosted decision trees distinguish the signal from the background events. No significant excess over the background predictions is observed, and upper limits on the signal production cross sections are extracted. These limits are interpreted in terms of top quark decay branching fractions (B) to the Higgs boson and an up (u) or a charm quark (c). Assuming one nonvanishing extra coupling at a time, the observed (expected) upper limits at 95% confidence level are B(t → Hu) < 0.079 (0.11)% and B(t → Hc) < 0.094 (0.086)%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for flavour-changing neutral current interactions of the top quark and the Higgs boson in events with a pair of $τ$-leptons in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for flavour-changing neutral current (FCNC) $tqH$ interactions involving a top quark, another up-type quark ($q = u, c$), and a Standard Model (SM) Higgs boson decaying into a $τ$-lepton pair ($H$ → $τ$ + $τ$ - ) is presented. The search is based on a dataset of pp collisions at $\sqrt{s}$ = 13 TeV that corresponds to an integrated luminosity of 139 fb -1 recorded with the ATLAS detector at the Large Hadron Collider. Two processes are considered: single top quark FCNC production in association with a Higgs boson ($pp$ → $tH$), and top quark pair production in which one of top quarks decays into $Wb$ and the other decays into $qH$ through the FCNC interactions. The search selects events with two hadronically decaying $τ$-lepton candidates ($τ$ had ) or at least one $τ$ had with an additional lepton ($e, µ$), as well as multiple jets. Event kinematics is used to separate signal from the background through a multivariate discriminant. A slight excess of data is observed with a significance of 2.3$σ$ above the expected SM background, and 95% CL upper limits on the $t → qH$ branching ratios are derived. The observed (expected) 95% CL upper limits set on the $t → cH$ and $t → uH$ branching ratios are 9.4 × 10 -4 (${4.8}^{+2.2}_{-1.4}$ × 10 -4 ) and 6.9 × 10 -4 (${3.5}^{+1.5}_{-1.0}$ × 10 -4 ), respectively. The corresponding combined observed (expected) upper limits on the dimension-6 operator Wilson coefficients in the effective $tqH$ couplings are $C$ $c$φ < 1.35 (0.97) and $C$ $u$φ < 1.16 (0.82).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for flavour-changing neutral $tqH$ interactions with $H$ → γγ in $pp$ collisions at $ \sqrt{s} $ = 13 TeV using the ATLAS detector

A search for flavour-changing neutral interactions involving the top quark, the Higgs boson and an up-type quark q (q = c, u) is presented. The proton-proton collision data set used, with an integrated luminosity of 139 fb –1 , was collected at $\sqrt{s}$ = 13 TeV by the ATLAS experiment at the Large Hadron Collider. Both the decay process t → qH in $t\bar{t}$ production and the production process pp → tH, with the Higgs boson decaying into two photons, are investigated. No significant excess is observed and upper limits are set on the t → cH and the t → uH branching ratios of 4.3 × 10 –4 and 3.8 × 10 –4 , respectively, at the 95% confidence level, while the expected limits in the absence of signal are 4.7 × 10 –4 and 3.9 × 10 –4 . Combining this search with ATLAS searches in the H → τ + τ – and H → $b\bar{b}$ final states yields observed (expected) upper limits on the t → cH branching ratio of 5.8 × 10 –4 (3.0 × 10 –4 ) at the 95% confidence level. The corresponding observed (expected) upper limit on the t → uH branching ratio is 4.0 × 10 –4 (2.4 × 10 –4 ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern

Emerging variants of concern for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) can transmit more efficiently and partially evade protective immune responses, thus necessitating continued refinement of antibody therapies and immunogen design. Here, we elucidate the structural basis and mode of action for two potent SARS-CoV-2 spike (S)-neutralizing monoclonal antibodies, CV3-1 and CV3-25, which remain effective against emerging variants of concern in vitro and in vivo. CV3-1 binds to the (485-GFN-487) loop within the receptor-binding domain (RBD) in the “RBD-up” position and triggers potent shedding of the S1 subunit. In contrast, CV3-25 inhibits membrane fusion by binding to an epitope in the stem helix region of the S2 subunit that is highly conserved among β-coronaviruses. Thus, vaccine immunogen designs that incorporate the conserved regions in the RBD and stem helix region are candidates to elicit pan-coronavirus protective immune responses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display

The increasing prevalence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants with the ability to escape existing humoral protection conferred by previous infection and/or immunization necessitates the discovery of broadly reactive neutralizing antibodies (nAbs). Utilizing mRNA display, we identify a set of antibodies against SARS-CoV-2 spike (S) proteins and characterize the structures of nAbs that recognize epitopes in the S1 subunit of the S glycoprotein. These structural studies reveal distinct binding modes for several antibodies, including the targeting of rare cryptic epitopes in the receptor-binding domain (RBD) of S that interact with angiotensin-converting enzyme 2 (ACE2) to initiate infection, as well as the S1 subdomain 1. Further, we engineer a potent ACE2-blocking nAb to sustain binding to S RBD with the E484K and L452R substitutions found in multiple SARS-CoV-2 variants. We demonstrate that mRNA display is an approach for the rapid identification of nAbs that can be used in combination to combat emerging SARS-CoV-2 variants.

SARS-CoV-2↗
DOE OSTI2023

Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes

Zika virus (ZIKV) is an emerging pathogen that causes devastating congenital defects. The overlapping epidemiology and immunologic cross-reactivity between ZIKV and dengue virus (DENV) pose complex challenges to vaccine design, given the potential for antibody-dependent enhancement of disease. Therefore, classification of ZIKV-specific antibody targets is of notable value. From a ZIKV-infected rhesus macaque, we identify ZIKV-reactive B cells and isolate potent neutralizing monoclonal antibodies (mAbs) with no cross-reactivity to DENV. We group these mAbs into four distinct antigenic groups targeting ZIKV-specific cross-protomer epitopes on the envelope glycoprotein. Co-crystal structures of representative mAbs in complex with ZIKV envelope glycoprotein reveal envelope-dimer epitope and unique dimer-dimer epitope targeting. All four specificities are serologically identified in convalescent humans following ZIKV infection, and representative mAbs from all four groups protect against ZIKV replication in mice. These results provide key insights into ZIKV-specific antigenicity and have implications for ZIKV vaccine, diagnostic, and therapeutic development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Time-discretization of a plasma-neutral MHD model with a semi-implicit leapfrog algorithm

The semi-implicit leapfrog time-discretization is a workhorse algorithm for initial-value MHD codes to bridge between vastly separated time scales. Inclusion of atomic interactions with neutrals breaks the functional structure of the MHD equations that exploited by the leapfrog. In this work, we address how to best integrate atomic physics into the semi-implicit leapfrog. Following the Crank-Nicolson method, one approach is to time-center the atomic interactions in the linear solver and use a Newton method to include the nonlinear contributions. Alternatively, another family of methods are based on operator-splitting the terms associated with the atomic interactions using a Strang-splitting technique. These methods naturally break equations into constituent ODE and PDE parts and preserve the structure exploited by the semi-implicit leapfrog. We study the accuracy and efficiency of these methods through a battery of 0D and 1D cases and show that a second-order-in-time Douglas-Rachford inspired coupling between the ODE and PDE advances is effective in reducing the time-discretization error to be comparable to that of Crank-Nicolson with Newton iteration of the nonlinear terms. Splitting ODE and PDE parts results in independent matrix solves for each field which reduces the computational cost considerably and provides parallelization over species relative to Crank-Nicolson.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Uses of H 2 and CO 2 gases in hydrometallurgical processes: Potential towards sustainable pretreatment, metal production and carbon neutrality

Hydrometallurgical practices represent a vital area of focus within the metallurgical sector, and it is critical that these practices are carried out in an environmentally friendly manner in order to promote sustainability and responsibility. One promising approach is the use of hydrogen gas (H 2 ), known for its ‘green’ properties, along with the pollutant carbon dioxide CO 2 ), at various stages within the hydrometallurgical field. This review provides a detailed overview of the utilization of H 2 and CO 2 gases in the hydrometallurgical field, encompassing key stages including pretreatment, leaching, and metal recovery. Theoretical underpinnings are also provided for each stage, along with an overview of cutting-edge approaches such as application of supercritical CO 2 . Challenges and future directions associated with H 2 and CO 2 utilization are also discussed. This review serves an important step towards advancing sustainable and responsible hydrometallurgical processes in the pursuit of carbon neutrality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Validation of SOLPS-ITER simulations with kinetic, fluid, and hybrid neutral models for JET-ILW low-confinement mode plasmas

For JET L-mode plasmas in low-recycling conditions (electron temperature at the outer strike point, T e,ot ≳ 30 eV ), SOLPS-ITER simulations agree within the error bars for the experimental profiles at the low-field side (LFS) divertor target. The peak Balmer-α (Dα ) emission in the LFS divertor agrees within the error bars of the KS3 filterscope diagnostic, but is approximately 30% lower than the peak value of the KT1 spectrometer. Simulations have been performed with fluid, kinetic, and hybrid models for the neutrals. The large fluid-kinetic discrepancies of more than a factor 2 are successfully corrected by using a hybrid fluid-kinetic approach, for which kinetic atoms are transferred to the fluid population when the local Knudsen number of the atom becomes smaller than a user-defined transition Knudsen number Kn t . The hybrid-kinetic discrepancies are limited to a few % for Kn t ≤ 100 . When increasing the upstream density to high-recycling conditions, at the onset of detachment ( T e,ot ≈ 5 eV ), the simulations predict more than a factor 2 lower peak ion saturation current to the LFS divertor than the experiments. Also the Dα emission is underpredicted with approximately a factor 2. For these high-recycling conditions, the fluid-kinetic discrepancies are limited to maximum 50%, which are again corrected by using the hybrid approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗