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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Charge Transport Properties of Lithium Superoxide in Li–O 2 Batteries

The theoretical energy density of lithium–oxygen (Li–O 2 ) batteries is extremely high, although there are many challenges that must be overcome to achieve high energy density in a manufactured cell. For example, little is known about the properties of one of the key intermediates, lithium superoxide (LiO 2 ), which until recently had not been stabilized in bulk form. In this work, lithium superoxide was deposited onto iridium–reduced graphene oxide (Ir–rGO) cathodes in a Li–O 2 system under a flow of O 2 . Lithium peroxide (Li 2 O 2 ) was subsequently produced on the cathode surface in an inert Ar atmosphere. Based on a detailed analysis of electrochemical impedance spectroscopy data, it was demonstrated experimentally for the first time that the charge transport resistance through LiO 2 was much lower than for Li 2 O 2 and correlated with lower LiO 2 charge overpotentials. We report this result indicates that LiO 2 has good electronic conductivity and confirms previous theoretical predictions that bulk LiO 2 has better charge transport properties than Li 2 O 2 . In addition, impedance and other characterization of Li 2 O 2 formation from LiO 2 in an Ar atmosphere revealed that when surface-mediated Li 2 O 2 formation occurs, it has a significantly lower discharge potential than when it forms through a solution-phase-mediated process. These significant findings will contribute to the development of Li–O 2 batteries through better understanding of LiO 2 properties and formation mechanisms.

25 ENERGY STORAGE↗
DOE OSTI2022

Search for lightly ionizing particles in superCDMS and simulation of neutron backgrounds

The Super Cryogenic Dark Matter Search (SuperCDMS) is a direct-detection dark matter search experiment that primarily aims to search for Weakly Interacting Massive Particles (WIMPs) using state-of-the-art solid-state detection technology. During its operation at the Soudan underground laboratory, germanium detectors were operated with high bias voltage mode known as the CDMS low ionization threshold experiment (CDMSlite) to achieve below-keV thresholds. CDMSlite, for being able to measure small energy depositions in detectors, also provides sensitivity to Lightly Ionizing Particles (LIPs) with very small fractional charges. This thesis will discuss an analysis to search LIPs with the data acquired in CDMSlite mode. An important component for LIPs search is the expected energy-deposition distributions for LIPs falling on the CDMSlite detector. In this thesis, a simulation framework to calculate the energy-deposition distributions is developed. This thesis presents first direct-detection limits on the intensity of cosmogenic LIPs with electric charges smaller than e/(3 × 105) as well as the strongest limits for charges ≤ e/160, with a minimum intensity of 1.36 × 10-7 cm-2s-1sr-1 at charge e/160.In any rare-event search experiment, understanding background is crucial. Neutrons capable of mimicking dark matter signals are a major background for any dark matter search experiment. A simulationmore » study to estimate the neutron background for an India based dark matter search experiment at Jaduguda Underground Science Laboratory (JUSL) is performed. The experiment at JUSL will be the first phase of a proposed Dark matter search at India-based Neutrino Observatory (DINO). It will be a direct detection experiment with primary aims to search for WIMPs as dark matter candidates. In this thesis, we discuss the methodology of estimating neutron flux at JUSL and report the results. The total neutron flux reaching the laboratory above 1 MeV energy threshold is found to be 5.76(±0.69) × 10-6 cm-2s-1. The impact of neutron background on the sensitivity of the experiment to detect dark matter at JUSL is also discussed. The thesis is organized as follows. Chapter 1 provides a brief introduction to the Lightly Ionizing Particle (LIPs). The analysis to search LIPs in SuperCDMS is briefly outlined in the chapter. This chapter also discusses the importance of neutron background estimates in a dark matter search experiment, more specifically, in the context of a proposed India-based dark matter search experiment at Jaduguda Underground Science Laboratory. In Chapter 2, the SuperCDMS experiment is introduced. In Chapter 3, the framework developed to perform simulations for Lightly Ionizing Particles is presented. In Chapter 4, the LIPs search analysis with the CDMSlite data and the results are discussed. In Chapter 5, the simulation of neutron background and the feasibility of dark-matter search at JUSL is discussed. Finally, conclusions from all the results discussed in this thesis are presented in Chapter 6.« less

Banik, Samir↗
DOE OSTI2021

Search for Lightly Ionizing Particles in SuperCDMS and simulation of neutron backgrounds

The Super Cryogenic Dark Matter Search (SuperCDMS) is a direct-detection dark matter search experiment that primarily aims to search for Weakly Interacting Massive Particles (WIMPs) using state-of-the-art solid-state detection technology. During its operation at the Soudan underground laboratory, germanium detectors were operated with high bias voltage mode known as the CDMS low ionization threshold experiment (CDMSlite) to achieve below-keV thresholds. CDMSlite, for being able to measure small energy depositions in detectors, also provides sensitivity to Lightly Ionizing Particles (LIPs) with very small fractional charges. This thesis will discuss an analysis to search LIPs with the data acquired in CDMSlite mode. An important component for LIPs search is the expected energy-deposition distributions for LIPs falling on the CDMSlite detector. In this thesis, a simulation framework to calculate the energy-deposition distributions is developed. This thesis presents first direct-detection limits on the intensity of cosmogenic LIPs with electric charges smaller than e /(3 × 10 5 ) as well as the strongest limits for charges ≤ e /160, with a minimum intensity of 1.36 × 10 -7 cm -2 s -1 sr -1 at charge e /160.In any rare-event search experiment, understanding background is crucial. Neutrons capable of mimicking dark matter signals are a major background for any dark matter search experiment. A simulation study to estimate the neutron background for an India based dark matter search experiment at Jaduguda Underground Science Laboratory (JUSL) is performed. The experiment at JUSL will be the first phase of a proposed Dark matter search at India-based Neutrino Observatory (DINO). It will be a direct detection experiment with primary aims to search for WIMPs as dark matter candidates. In this thesis, we discuss the methodology of estimating neutron flux at JUSL and report the results. The total neutron flux reaching the laboratory above 1 MeV energy threshold is found to be 5.76(±0.69) × 10 -6 cm -2 s -1 . The impact of neutron background on the sensitivity of the experiment to detect dark matter at JUSL is also discussed. The thesis is organized as follows. Chapter 1 provides a brief introduction to the Lightly Ionizing Particle (LIPs). The analysis to search LIPs in SuperCDMS is briefly outlined in the chapter. This chapter also discusses the importance of neutron background estimates in a dark matter search experiment, more specifically, in the context of a proposed India-based dark matter search experiment at Jaduguda Underground Science Laboratory. In Chapter 2, the SuperCDMS experiment is introduced. In Chapter 3, the framework developed to perform simulations for Lightly Ionizing Particles is presented. In Chapter 4, the LIPs search analysis with the CDMSlite data and the results are discussed. In Chapter 5, the simulation of neutron background and the feasibility of dark-matter search at JUSL is discussed. Finally, conclusions from all the results discussed in this thesis are presented in Chapter 6.

Banik, Samir↗
DOE OSTI2020

Measurement of quark- and gluon-like jet fractions using jet charge in PbPb and pp collisions at 5.02 TeV

The momentum-weighted sum of the electric charges of particles inside a jet, known as jet charge, is sensitive to the electric charge of the particle initiating the parton shower. This paper presents jet charge distributions in $ \sqrt{s_{\mathrm{NN}}} $ = 5.02 TeV lead-lead (PbPb) and proton-proton (pp) collisions recorded with the CMS detector at the LHC. These data correspond to integrated luminosities of 404 μb$^{−1}$ and 27.4 pb$^{−1}$ for PbPb and pp collisions, respectively. Leveraging the sensitivity of the jet charge to fundamental differences in the electric charges of quarks and gluons, the jet charge distributions from simulated events are used as templates to extract the quark- and gluon-like jet fractions from data. The modification of these jet fractions is examined by comparing pp and PbPb data as a function of the overlap of the colliding Pb nuclei (centrality). This measurement tests the color charge dependence of jet energy loss due to interactions with the quark-gluon plasma. No significant modification between different centrality classes and with respect to pp results is observed in the extracted quark- and gluon-like jet fractions.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Underlying Data for the EVI-RoadTrip Web Tool

The dataset contains simulation-based charging infrastructure outputs that are visualized on the EVI-RoadTrip webtool. The outputs are aggregated to lower spatial resolution (e.g., state-level, corridor-level).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Analysis of Electric Heavy-Duty Driving and Infrastructure Requirements

The analysis discussed in this report was performed as part of DOE award DE-EE0009232 to model the effects of charging Heavy Duty Battery Electric Trucks (HDBETs) on the grid. This project combines best in class freight modeling by the National Renewable Energy Laboratory (NREL) with advanced distribution modeling by EPRI using detailed data from Xcel Energy and Salt River Project to analyze the effects of depot charging and utility-grade transmission modeling by Tri-State Transmission and Generation Association Inc. to analyze the effects of en-route charging.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Measurement of the radius dependence of charged-particle jet suppression in Pb–Pb collisions at $\sqrt{s_{NN}}=5.02$ TeV

The ALICE Collaboration reports a differential measurement of inclusive jet suppression using pp and Pb–Pb collision data at a center-of-mass energy per nucleon–nucleon collision $\sqrt{s_{NN}}=5.02$ TeV. Charged-particle jets are reconstructed using the anti-$k_T$ algorithm with resolution parameters R=0.2, 0.3, 0.4, 0.5, and 0.6 in pp collisions and R=0.2, 0.4, 0.6 in central (0–10%), semi-central (30–50%), and peripheral (60–80%) Pb–Pb collisions. A novel approach based on machine learning is employed to mitigate the influence of jet background. This enables measurements of inclusive jet suppression in new regions of phase space, including down to the lowest jet $p_T$ ≥ 40 GeV/c at R=0.6 in central Pb–Pb collisions. This is an important step for discriminating different models of jet quenching in the quark–gluon plasma. The transverse momentum spectra, nuclear modification factors, derived cross section, and nuclear modification factor ratios for different jet resolution parameters of charged-particle jets are presented and compared to model predictions. A mild dependence of the nuclear modification factor ratios on collision centrality and resolution parameter is observed. The results are compared to a variety of jet-quenching models with varying levels of agreement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for Lorentz-invariance violation with the first KATRIN data

Some extensions of the Standard Model of particle physics allow for Lorentz invariance and charge-parity-time invariance violations. In the neutrino sector strong constraints have been set by neutrino-oscillation and time-of-flight experiments. However, some Lorentz-invariance-violating parameters are not accessible via these probes. In this work, we focus on the parameters (a$^{(3)}_{of}$)00, (a$^{(3)}_{of}$)10, and (a$^{(3)}_{of}$)11 which would manifest themselves in a nonisotropic β-decaying source as a sidereal oscillation and an overall shift of the spectral endpoint. Based on the data of the first scientific run of the KATRIN experiment, we set the first 90% confidence-level limit on (a$^{(3)}_{of}$)11| of < 0.9 × 10 –6 GeV to 3.7 × 10 –6 GeV, depending on the phase. Furthermore, we derive new constraints on (a$^{(3)}_{of}$)00 and (a$^{(3)}_{of}$)10.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Constraining the Charge-Sign and Rigidity-Dependence of Solar Modulation

Our ability to identify the sources of cosmic rays and understand how these particles propagate through the interstellar medium is hindered by the combined effects of the solar wind and its embedded magnetic field, collectively known as solar modulation. In this paper, we build upon our previous work to model and constrain the effects of solar modulation on the cosmic-ray spectrum, using data from AMS-02 and BESS Polar II collected between 2007 and 2012, during which the heliospheric magnetic field was in a state of negative polarity. Our model uses measurements of the heliospheric magnetic field and the tilt angle of the heliospheric current sheet to accurately predict the effects of solar modulation as a function of time, charge, and rigidity. By incorporating data from a period of negative polarity, we have been able to robustly observe and constrain the charge-dependent effects of solar modulation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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↗
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↗