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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Gapless surface electronic structure of $1T–$$\mathrm{TiSe_2}$ in the distorted phase

Here, low temperature, high resolution angle resolved photoemission experiments performed on bulk $1T–$$\mathrm{TiSe_2}$ samples display conspicuous band folding as the only prominent signature of the periodic lattice distortion. The presence of a bulk electronic gap supporting a charge density wave phase is not confirmed in light of the new data. These observations cast serious doubts on the common belief of an electronic instability as the likely origin for the observed structural transition in $\mathrm{TiSe_2}$.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Characterization of Rapid Charging Events Due to Sheath Capacitance and Impact on the International Space Station Plasma Hazard Process

During an Extravehicular Activity (EVA), if the Extravehicular Mobility Unit (EMU) makes galvanic contact with the International Space Station (ISS), a negative Floating Potential (FP) can lead to an arcing hazard when it exceeds -45.5 V, and a positive FP can produce a DC current high enough to stimulate the astronaut’s muscles (5 mA), and also cause a hazard. The Boeing Space Environments team developed and utilizes a Plasma Interaction Model (PIM) in order to calculate the ISS FP based on the plasma environment, ISS velocity, geomagnetic field, solar array and ISS orientation, and solar array regulation to support EVA planning operations. Presently, the model excludes the sheath capacitance, resulting in the total potential drop being across the dielectric surface of the vehicle. Data from the Floating Potential Measurement Unit (FPMU) show this assumption to be generally true. However, Rapid Charging Events (RCE) are often observed in the FPMU data at eclipse exit when the electron number density, Ne, is low (less than 5(sub e)10 m (exp-3)). During these events, the FP can rise more than 40 V in one to five seconds. There is then a relaxation phase where the FP drops back to the normal FP values. The PIM model is not capable of producing these RCEs. It was thought that the inclusion of the sheath in PIM could improve the charging predictions, particularly as related to RCEs. A parametric study was performed to determine what portion of the measured FP is across the sheath for a range of Ne experienced by the ISS, and if the inclusion of the sheath in PIM is necessary. Results show that the potential drop across the sheath is negligible at times when the N(sub e) is greater than 1(sub e)11 m-3. However, there appears to be a transitional region between 1(sub e)10 m(exp -3) and 1(sub e)11 m(exp -3) where the sheath capacitance becomes more significant. During those conditions the potential drop across the sheath can be larger than the potential drop across the dielectric for short periods (1-5 seconds). These results agree remarkably well with measurements made by the FPMU. The inclusion of the sheath explains why high charging measurements occur when the Ne is low at eclipse exit and even times when the solar arrays are not a significant driver (i.e., potentials often rise as the ISS flies through spread-F). Results also show that the RCEs are not a safety concern because the potential drop across the dielectric surface does not exceed -45.5 V. In that case, the EMU would not arc. This gives high confidence in the low probability of an arcing hazard occurring.

plasma environment↗
DOE OSTI2023

Ionothermally Synthesized Nanoporous Ti 0.95 W 0.05 Nb 2 O 7 : a Novel Anode Material for High-Performance Lithium-Ion Batteries

Although TiNb 2 O 7 is regarded as a fast-rechargeable lithium-ion battery (LIB) anode material, the intrinsic poor electrochemical kinetics of TiNb 2 O 7 still dramatically impedes its development. Herein, an ionothermal synthesis-assisted doping strategy is proposed for the preparation of a new W 6+ -doped TiNb 2 O 7 material (Ti 0.95 W 0.05 Nb 2 O 7 ) with nanoporous structure (denoted as NPTWNO). The improved Li + diffusion coefficient of NPTWNO suggests that the ionic-liquid-templated nanoporous architecture improves the Li+ diffusion kinetics. The density functional theory computational study reveals that the doped W 6+ successfully boosts the electronic conductivity due to the narrowed conduction-valance bandgap resulted from charge redistribution, which is reflected by the electrochemical impedance spectroscopy data. With the simultaneously enhanced Li+ diffusivity and electronic conductivity, NPTWNO achieves fast-rechargeability in LIBs. So this work indicates the potential of ionothermal synthesis-assisted doping strategy on energy storage materials and offers NPTWNO material with promising electrochemical performance.

25 ENERGY STORAGE↗
DOE OSTI2021

Search for charged Higgs bosons decaying into a top quark and a bottom quark at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for charged Higgs bosons decaying into a top quark and a bottom quark is presented. The data analysed correspond to 139 fb -1 of proton-proton collisions at $\sqrt{s}$ = 13 TeV, recorded with the ATLAS detector at the LHC. The production of a heavy charged Higgs boson in association with a top quark and a bottom quark, pp → tbH + → tbtb, is explored in the H + mass range from 200 to 2000 GeV using final states with jets and one electron or muon. Events are categorised according to the multiplicity of jets and b-tagged jets, and multivariate analysis techniques are used to discriminate between signal and background events. No significant excess above the background-only hypothesis is observed and exclusion limits are derived for the production cross-section times branching ratio of a charged Higgs boson as a function of its mass; they range from 3.6 pb at 200 GeV to 0.036 pb at 2000 GeV at 95% confidence level. The results are interpreted in the hMSSM and M$_{h}^{125}$ scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Search for long-lived heavy neutral leptons with displaced vertices in proton-proton collisions at $\sqrt{\mathrm{s}}$ =13 TeV

A search for heavy neutral leptons (HNLs), the right-handed Dirac or Majorana neutrinos, is performed in final states with three charged leptons (electrons or muons) using proton-proton collision data collected by the CMS experiment at √s = 13 TeV at the CERN LHC. The data correspond to an integrated luminosity of 138 fb -1 . The HNLs could be produced through mixing with standard model neutrinos ν. For small values of the HNL mass (<20 GeV) and the square of the HNL-ν mixing parameter (10 -7 –10 -2 ), the decay length of these particles can be large enough so that the secondary vertex of the HNL decay can be resolved with the CMS silicon tracker. The selected final state consists of one lepton emerging from the primary proton-proton collision vertex, and two leptons forming a displaced, secondary vertex. No significant deviations from the standard model expectations are observed, and constraints are obtained on the HNL mass and coupling strength parameters, excluding previously unexplored regions of parameter space in the mass range 1–20 GeV and squared mixing parameter values as low as 10 -7 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for supersymmetry in final states with a single electron or muon using angular correlations and heavy-object identification in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for supersymmetry is presented in events with a single charged lepton, electron or muon, and multiple hadronic jets. The data correspond to an integrated luminosity of 138 fb –1 of proton-proton collisions at a center-of-mass energy of 13 TeV, recorded by the CMS experiment at the CERN LHC. The search targets gluino pair production, where the gluinos decay into final states with the lightest supersymmetric particle (LSP) and either a top quark-antiquark ($\text{t}\bar{\text{t}}$ pair, or a light-flavor quark-antiquark ($\text{q}\bar{\text{q}}$ pair and a virtual or on-shell W boson. The main backgrounds, $\text{t}\bar{\text{t}}$ pair and W+jets production, are suppressed by requirements on the azimuthal angle between the momenta of the lepton and of its reconstructed parent W boson candidate, and by top quark and W boson identification based on a machine-learning technique. The number of observed events is consistent with the expectations from standard model processes. Limits are evaluated on supersymmetric particle masses in the context of two simplified models of gluino pair production. Exclusions for gluino masses reach up to 2120 (2050) GeV at 95% confidence level for a model with gluino decay to a $\text{t}\bar{\text{t}}$ pair (a $\text{q}\bar{\text{q}}$ pair and a W boson) and the LSP. For the same models, limits on the mass of the LSP reach up to 1250 (1070) GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Investigating charm quark energy loss in medium with the nuclear modification factor of D 0 -tagged jets

The nuclear modification factor R AA of charm jets, identified by the presence of a D 0 meson among the jet constituents, has been measured for the first time in Pb–Pb collisions at a centre-of-mass energy per nucleon pair $\sqrt{s_{NN}} = 5.02$ TeV with the ALICE detector at the LHC. The D 0 mesons and their charge conjugates are reconstructed from the hadronic decay D 0 → K – π + . Jets are reconstructed from D 0 -meson candidates and charged particles using the anti-k T algorithm with jet resolution parameter R = 0.3, in the jet transverse momentum (p T ) range 5 < $p^{ch}_{T}$$^{jet}$ < 50 GeV/c and pseudorapidity |η ch jet| < 0.6. A hint of reduced suppression in the charm-jet R AA is observed in comparison to inclusive jets in central Pb–Pb collisions with a significance of about 2σ in 20 < $p^{ch}_{T}$$^{jet}$ < 50 GeV/c, suggesting the in-medium energy loss to depend on both the difference between quark and gluon coupling strength (Casimir colour-charge effect) and quark mass (dead-cone effect). The data are compared with model calculations that include mass effects in the in-medium energy loss. Several state-of-the-art models are consistent with the data, with the LIDO model providing the best description of the data in the common kinematic range of inclusive and D 0 -tagged jets, highlighting the role of mass effects in interpreting the results.

Acharya, S. (ORCID:0000000292135329)↗
DOE OSTI2025

Assessing the Impact of Measurement Precision on Metabolite Identification Probability in Multidimensional Mass Spectrometry-Based, Reference-Free Metabolomics

Identification of compounds with minimal ambiguity remains a central challenge in mass spectrometry-based metabolomics. Conventional compound identification relies on comparing analytical signatures (e.g., mass-to-charge ratio, collision cross section, tandem mass spectra) against reference data obtained from measurements of authentic chemical standards. The breadth of annotatable compounds using this approach is necessarily limited by availability of authentic standards, analytical throughput, and resolving power of the separations that underly the measurements. The maturation of computational methods, both theory-driven and artificial intelligence/machine learning-based, for prediction of various molecular properties relevant to multidimensional mass spectrometry measurements has opened the door to a new “reference-free” paradigm of compound annotation. Through augmenting existing reference data for molecular properties with computational predictions, the universe of identifiable chemical species can be expanded significantly beyond its current limits. An unexplored aspect of this novel approach is understanding how to gauge confidence in resulting annotations, especially as the compound search space is expanded. Intuitively, the confidence of a compound annotation is related to the inherent discriminatory power of the molecular properties used for identification, as well as the precision with which the properties are measured or predicted. In this work, we characterize this relationship between measurement precision and identification probability in a systematic and quantitative fashion for a defined region of chemical space that includes organic small molecule metabolites. Importantly, this work establishes a framework for conducting metabolite identification probability analysis that enables others to quantify this relationship for their own compounds and properties of interest.

Metabolite Identification↗
DOE OSTI2025

A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials

Most current machine learning interatomic potentials (MLIPs) rely on short-range approximations, without explicit treatment of long-range electrostatics. To address this, we recently developed the Latent Ewald Summation (LES) method, which infers electrostatic interactions, polarization, and Born effective charges (BECs), just by learning from energy and force training data. Here, in this study, we present LES as a standalone library, compatible with any short-range MLIP, and demonstrate its integration with methods such as MACE, NequIP, Allegro, CACE, CHGNet, and UMA. We benchmark LES-enhanced models on distinct systems, including bulk water, polar dipeptides, and gold dimer adsorption on defective substrates, and show that LES not only captures correct electrostatics but also improves accuracy. Additionally, we scale LES to large and chemically diverse data by training MACELES-OFF on the SPICE set containing molecules and clusters, making a universal MLIP with electrostatics for organic systems, including biomolecules. MACELES-OFF is more accurate than its short-range counterpart (MACE-OFF) trained on the same data set, predicts dipoles and BECs reliably, and has better descriptions of bulk liquids. By enabling efficient long-range electrostatics without directly training on electrical properties, LES paves the way for electrostatic foundation MLIPs.

Kim, Dongjin [University of California, Berkeley, ↗
DOE OSTI2021

Bayesian Model for HOPE Mass Spectrometers on Van Allen Probes

Space instruments rely heavily on modeling to predict and understand the instrument response, enabling a determination of the capabilities and resolution. The Bayesian approach provides a framework to incorporate prior knowledge and propagate uncertainty to predict the instrument response. We present an empirical Bayes model for the end-to-end performance of the Helium, Oxygen, Proton, and Electron mass spectrometers aboard the Van Allen Probes mission. In this model, we use a combination of external modeling, laboratory calibration, and expert opinion to construct the time-of-flight spectra and demonstrate good agreement with on-orbit data. The empirical Bayes model is applied to explore doubly charged ions and carbon, nitrogen, oxygen discrimination during the Van Allen Probes mission.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Monte Carlo toolkit for designing and validating step-range-filter spectrometer designs

Here, we present a Monte Carlo toolkit for validating step range filter (SRF) spectrometer designs. Geant4 is used to transport charged particles through the SRF filters to generate synthetic SRF data that include realistic CR-39 effects. Synthetic SRF spectra generated by this method inherently account for instrument response and allow for the quantification of SRF performance before shots. The usefulness of this toolkit is demonstrated through its application to a number of problems. A new broadband SRF for the ∼10 MeV wide 3He3He proton spectrum is validated, and an analysis method for analyzing 3He3He-p SRF data that accounts for instrument response is put forth. In addition, an SRF design for the compact recoil-proton spectrometer (CRS) on the Z-machine is validated. Finally, a new calibration technique for the DD-p SRF is proposed and validated.

Johnson, T. M. (ORCID:0000000193032949)↗
DOE OSTI2022

Nuclear DFT analysis of electromagnetic moments in odd near doubly magic nuclei

We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic axial-symmetry axis with broken time-reversal symmetry, which allows us to explore fully the self-consistent charge, spin, and current polarisation. Spectroscopic moments are determined for symmetry-restored wave functions and compared with available experimental data. We find that the obtained polarisations do not call for using quadrupole- or dipole-moment operators with effective charges or effective g-factors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Flow-dependent tagging of 214 Pb decays in the LZ dark matter detector

The LUX-ZEPLIN (LZ) experiment is searching for dark matter interactions in a liquid xenon time projection chamber (LXe-TPC). This article demonstrates how control of the flow state in the LXe-TPC enables the identification of pairs of sequential alpha-decays, which are used to map fluid flow and ion drift in the liquid target. The resulting transport model is used to tag 214 Pb~ beta-decays, a leading background to dark matter signals in LZ. Temporally evolving volume selections, at a cost of 9.0% of exposure, target the decay of each 214 Pb~ atom up to 81 minutes after production, resulting in (63±6 (s⁢t⁢a⁢t) ±7 (s⁢y⁢s) )% identification of 214 Pb~decays to ground state. We also demonstrate how flow-based tagging techniques enable a novel calibration side band that is concurrent with science data. Lastly we report updated estimates of radon-chain charge branching fractions in liquid xenon, finding branching to 218 Po + at 0.49±0.01, 214 Pb + at 0.48±0.12, and 214 Bi + at 0.74±0.05, with a mean charged ion lifetime in the LZ TPC of 49±4 min.

Lorenzon, Wolfgang [University of Michigan, Ann Ar↗
DOE OSTI2022

Spin dynamics and exchange interaction in orthoferrite TbFeO 3 with non-Kramers rare-earth ion

The low-temperature spin dynamics of the orthorhombic TbFeO 3 perovskite has been studied. It has been found that the inelastic neutron scattering (INS) spectrum of the investigated compound contains two modes corresponding to different sublattices. It is shown that the iron subsystem orders antiferromagnetically at T N =632 K and exhibits the high-energy magnon dispersion. The magnetic dynamics of this subsystem has been described within the linear spin wave theory and the in-plane and out-of-plane exchange anisotropy has been demonstrated. The approach proposed previously to describe the magnon dispersion in the TmFeO 3 compound has been used. Three levels of the nondispersive crystal electric field corresponding to Tb 3+ ions have been found in the energy region below 40 meV at about 17, 26, and 35 meV. The behavior of the magnetic correlation length of the terbium subsystem has been determined by studying the diffuse scattering at different temperatures. The evolution of this subsystem has been numerically described within the point charge model. In conclusion, it is shown that the numerical data agree satisfactorily with the experiment and with the general concept of the single-ion approximation applied to the rare-earth subsystem of orthorhombic perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Measurement of the D * longitudinal polarization in B 0 → D * − τ + ν τ decays

The longitudinal polarization fraction of the D * meson is measured in B 0 → D * − τ + ν τ decays, where the τ lepton decays to three charged pions and a neutrino, using proton-proton collision data collected by the LHCb experiment at center-of-mass energies of 7, 8 and 13 TeV and corresponding to an integrated luminosity of 5 fb − 1 . The D * polarization fraction F L D * is measured in two q 2 regions, below and above 7 GeV 2 / c 4 , where q 2 is defined as the squared invariant mass of the τ ν τ system. The F L D * values are measured to be 0.52 ± 0.07 ± 0.04 and 0.34 ± 0.08 ± 0.02 for the lower and higher q 2 regions, respectively. The first uncertainties are statistical and the second systematic. The average value over the whole q 2 range is F L D * = 0.41 ± 0.06 ± 0.03 . These results are compatible with the Standard Model predictions. © 2024 CERN, for the LHCb Collaboration 2024 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2025

Quadrilateral particle arrangement within shocks in a two-dimensional dusty plasma

The microscopic structure within a two-dimensional shock was studied using data from a dusty plasma experiment. A single layer of charged microparticles, levitated in a glow-discharge plasma, was perturbed by an electrically floating wire that was moved at a steady supersonic speed to excite a compressional shock. A rearrangement of particles was observed, from a hexagonal lattice in the preshock into a quadrilateral microstructure on the front side of the shock. This quadrilateral structure would not be stable in a monolayer of identical repulsive particles, under equilibrium conditions. Glaser-Clark polygon analysis of the microstructure helped in identifying quadrilaterals. Voronoi analysis was used to characterize the defect fraction behind the shock, as an indication of shock-induced melting. Published by the American Physical Society 2025

Kananovich, Anton (ORCID:0000000225374952)↗
DOE OSTI2020

Search for a Narrow Resonance Lighter than 200 GeV Decaying to a Pair of Muons in Proton-Proton Collisions at $\sqrt{s} =$ TeV

A search is presented for a narrow resonance decaying to a pair of oppositely charged muons using s=13 TeV proton-proton collision data recorded at the LHC. In the 45–75 and 110–200 GeV resonance mass ranges, the search is based on conventional triggering and event reconstruction techniques. In the 11.5–45 GeV mass range, the search uses data collected with dimuon triggers with low transverse momentum thresholds, recorded at high rate by storing a reduced amount of trigger-level information. The data correspond to integrated luminosities of 137 and 96.6 fb-1 for conventional and high-rate triggering, respectively. No significant resonant peaks are observed in the probed mass ranges. The search sets the most stringent constraints to date on a dark photon in the ∼30–75 and 110–200 GeV mass ranges.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Collectivity in Ultraperipheral Pb+Pb Collisions at the Large Hadron Collider

In this work, we present the first full (3+1)D dynamical simulations of ultraperipheral Pb+Pb collisions at the Large Hadron Collider. Extrapolating from p + Pb collisions, we explore whether a quasireal photon γ* interacting with the lead nucleus in an ultraperipheral collision can create a many-body system exhibiting fluid behavior. Assuming strong final-state interactions, we provide model results for charged hadron multiplicity, identified particle mean transverse momenta, and charged hadron anisotropic flow coefficients, and compare them with experimental data from the ALICE and ATLAS Collaborations. The elliptic flow hierarchy between p + Pb and γ*+Pb collisions is dominated by the difference in longitudinal flow decorrelations and reproduces the experimental data well. We have demonstrated that our theoretical framework provides a quantitative tool to study particle production and collectivity for all system sizes, ranging from central heavy-ion collisions to small asymmetric collision systems at the Relativistic Heavy-Ion Collider and the Large Hadron Collider and even at the future Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗