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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

FIB-ToF-SIMS characterization of irradiated U-10Zr

Post-irradiation examination (PIE) is critical for the performance assessment and qualification of nuclear fuels. Secondary ion mass spectrometry (SIMS) is a powerful materials characterization technique that allows for elemental and isotopic mapping with a depth resolution greater than EDS and EPMA. However, it has not yet been applied to PIE of metallic nuclear fuel. Here, in this work, we characterize an fast neutron spectrum irradiated U-10Zr fuel sample using a time-of-flight SIMS (ToF-SIMS) system connected to a FIB/SEM system, which allows for flexible sample analysis compared to a dedicated ToF-SIMS instrument. Analysis of the resulting hyperspectral micrograph data was aided by the development of an unsupervised machine learning (ML) algorithm that iterates on existing methods to segment the 3D micrographic datasets based on the similarity of mass spectra. The results showed that the FIB-ToF-SIMS instrument was potentially capable of spatially resolving closed fission gas bubbles in 3D by continued ion sputtering of the analyzed volume. Additionally, the ML algorithm proved useful in revealing the chemical segregation of light fission products (those with an atomic mass between approximately 85–105 amu, such as ruthenium and rhodium) plus matrix zirconium, heavy fission products (those with an atomic mass between approximately 135–150 amu, such as the lanthanides) and uranium. Future studies are planned to conduct FIB-ToF-SIMS analysis on more irradiated U-Zr samples to study the constituent redistribution.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Measurement of the central exclusive production of charged particle pairs in proton-proton collisions at $\sqrt{s}$ = 200 GeV with the STAR detector at RHIC

We report on the measurement of the Central Exclusive Production of charged particle pairs h+h- (h = π, K, p) with the STAR detector at RHIC in proton-proton collisions at $\sqrt{s}$ = 200 GeV. The charged particle pairs produced in the reaction pp → p' + h + h - + p' are reconstructed from the tracks in the central detector and identified using the specific energy loss and the time of flight method, while the forward-scattered protons are measured in the Roman Pot system. Exclusivity of the event is guaranteed by requiring the transverse momentum balance of all four final-state particles. Differential cross sections are measured as functions of observables related to the central hadronic final state and to the forward-scattered protons. They are measured in a fiducial region corresponding to the acceptance of the STAR detector and determined by the central particles’ transverse momenta and pseudorapidities as well as by the forward-scattered protons’ momenta. This fiducial region roughly corresponds to the square of the four-momentum transfers at the proton vertices in the range 0.04 GeV 2 < -t 1 , -t 2 < 0.2 GeV 2 , invariant masses of the charged particle pairs up to a few GeV and pseudorapidities of the centrally-produced hadrons in the range |η| < 0.7. The measured cross sections are compared to phenomenological predictions based on the Double Pomeron Exchange (DPE) model. Structures observed in the mass spectra of π + π - and K + K - pairs are consistent with the DPE model, while angular distributions of pions suggest a dominant spin-0 contribution to π + π - production. For π + π - production, the fiducial cross section is extrapolated to the Lorentz-invariant region, which allows decomposition of the invariant mass spectrum into continuum and resonant contributions. The extrapolated cross section is well described by the continuum production and at least three resonances, the f 0 (980), f 2 (1270) and f 0 (1500), with a possible small contribution from the f 0 (1370). Fits to the extrapolated differential cross section as a function of t 1 and t 2 enable extraction of the exponential slope parameters in several bins of the invariant mass of π + π - pairs. These parameters are sensitive to the size of the interaction region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Mixing effects on spectroscopy and partonic observables of heavy mesons with logarithmic confining potential in a light-front quark model

Using the variational principle, we systematically investigate the mass spectra and wave functions of both 1⁢𝑆 and 2⁢𝑆 state heavy pseudoscalar (𝑃) and vector (𝑉) mesons within the light-front quark model. This approach incorporates a Coulomb plus logarithmic confinement potential to accurately describe the constituent quark and antiquark dynamics. Additionally, spin hyperfine interactions are introduced perturbatively to compute the masses of pseudoscalar and vector mesons. The present analyses of the 1⁢𝑆 and 2⁢𝑆 states require the consideration of mixing between them to account for empirical constraints. These constraints include the mass gap Δ⁢𝑀 𝑃 >Δ⁢𝑀 𝑉 , where Δ⁢𝑀 𝑃⁡(𝑉) =𝑀$^{2⁢𝑆}_{𝑃⁡(𝑉)}$−𝑀$^{1⁢𝑆}_{𝑃⁡(𝑉)}$ and the hierarchy of the decay constants 𝑓 1⁢𝑆 >𝑓 2⁢𝑆 . We find the optimal value of the mixing angle to be 𝜃 =1⁢8°, significantly enhancing the consistency between our spectroscopic predictions and the experimental data compiled by the Particle Data Group. Furthermore, based on the predicted mass, the newly observed resonance 𝐵 𝐽⁡ (5840) could be assigned as a 2 1⁢ 𝑆 0 state in the 𝐵 meson family. The study also reports various pertinent observables, including twist-two distribution amplitudes, electromagnetic form factors, charge radii, 𝜉 moments, and transition form factors that are found to be consistent with both available lattice simulations and experimental data. In addition, our predicted branching ratios for the channels of 𝐵 + →𝜏 + ⁢𝜈 𝜏 as well as rare decays of 𝐵 0 and 𝐵$^0_𝑠$ appear in accordance with experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Search for doubly charged Higgs boson production in multi-lepton final states with the ATLAS detector using proton–proton collisions at $\sqrt{s}=13\,\text {TeV}$

In this paper, a search for doubly charged Higgs bosons with pairs of prompt, isolated, highly energetic leptons with the same electric charge is presented. The search uses a proton–proton collision data sample at a centre-of-mass energy of 13 TeV corresponding to 36.1 fb –1 of integrated luminosity recorded in 2015 and 2016 by the ATLAS detector at the LHC. This analysis focuses on the decays H ±± → e ± e ± , H ±± → e ± μ ± and H ±± → μ ± μ ± , fitting the dilepton mass spectra in several exclusive signal regions. No significant evidence of a signal is observed and corresponding limits on the production cross-section and consequently a lower limit on m(H ±± ) are derived at 95% confidence level. With ℓ ± ℓ ± = e ± e ± /μ ± μ ± /e ± μ ± , the observed lower limit on the mass of a doubly charged Higgs boson only coupling to left-handed leptons varies from 770 to 870 GeV (850 GeV expected) for B(H ±± → ℓ ± ℓ ± )=100% and both the expected and observed mass limits are above 450 GeV for B(H ±± → ℓ ± ℓ ± )=10% and any combination of partial branching ratios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1992

CHON as a component of dust from Comet Halley

Three sets of particle mass spectra are used here to investigate the relationship between CHON (dust composed predominantly of carbon, hydrogen, oxygen, and nitrogen) and silicate materials in Comet Halley. It is found that there are essentially no pure CHON particles in the 0.1-1 micron size range sampled; instead, essentially all Halley particles sampled by the mass spectrometers are a mixture of both CHON and silicate components. The data show that the CHON and silicate components are interdispersed at submicron scales, and there is evidence that sublimation of volatile organic material occurs, bringing many particles to a common proportion of CHON and silicate material.

Lawler, Mark E.↗
DOE OSTI2013

Laser Microdissection and Atmospheric Pressure Chemical Ionization Mass Spectrometry Coupled for Multimodal Imaging

This paper describes the coupling of ambient laser ablation surface sampling, accomplished using a laser capture microdissection system, with atmospheric pressure chemical ionization mass spectrometry for high spatial resolution multimodal imaging. A commercial laser capture microdissection system was placed in close proximity to a modified ion source of a mass spectrometer designed to allow for sampling of laser ablated material via a transfer tube directly into the ionization region. Rhodamine 6G dye of red sharpie ink in a laser etched pattern as well as cholesterol and phosphatidylcholine in a cerebellum mouse brain thin tissue section were identified and imaged from full scan mass spectra. A minimal spot diameter of 8 m was achieved using the 10X microscope cutting objective with a lateral oversampling pixel resolution of about 3.7 m. Distinguishing between features approximately 13 m apart in a cerebellum mouse brain thin tissue section was demonstrated in a multimodal fashion including co-registered optical and mass spectral chemical images.

atmospheric pressure chemical ionization (APCI)↗
DOE OSTI2024

DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool

In this paper, we report the creation of a graphical user interface (GUI) for the Data Extraction for Integrated Multidimensional Spectrometry (DEIMoS) tool. DEIMoS is a Python package to process data from high-dimensional mass spectrometry measurements. It is divided into several modules, each representing a data processing step, such as peak detection, alignment, and tandem mass spectra extraction and deconvolution. The inputs for and outputs from DEIMoS can include millions of N-dimensional data points, which can be challenging to visualize in a way that is interactive, informative, and responsive. Here, we used the HoloViz Python data stack, including DataShader and Param, to create an interactive visualization of mass spectrometry data. We believe the GUI will increase the accessibility of DEIMoS, and the visualization methods could be useful for other open-source mass spectrometry tools.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Design and Operation of a Multi-Bed Catalytic Micro-Reactor for the Study of Co-Processing of Bio-Oils with VGO

An industry wide shift from fossil-based fuel to renewable fuel sources including biomass, municipal waste, and plastics will require new process monitoring methods to minimize transitional risks including off specification product formation and catalyst deactivation. This project aims to provide a machine learning based process monitoring tool composed of online, slipstream mass spectra for use in biomass refineries and co-processing in existing refineries allowing operators to monitor product qualities and adjust process conditions accordingly. In order to maximize the robustness of the tool, large volumes of data must be collected to fine tune model parameters which consists of both micro and pilot scale mass spectral data. Micro-scale data is collected with a multi-tube micro-reactor housing up to six catalysts in horizontal beds, coupled with a molecular beam mass spectrometer. A pyrolizer equipped with an auto-sampler streamlines the micro-scale data collection process. This type of pyrolizer/micro-reactor configuration does not exist on the market, and therefore had to be created for the purposes of this project. The design and commissioning of this reactor will be presented in detail. This reactor set-up is highly flexible and increases throughput of analysis. For catalyst testing, each bed can be individually selected simply by turning valves. For catalyst reduction and regeneration, simultaneous flow through all six beds is used. The reproducibility of the system was first assessed with whole biomass pyrolysis along with pyrolysis of calibration standards. Initial work on this system evaluated two FCC catalysts, equilibrium catalyst (E-cat), and a proprietary catalyst from Johnson Matthey specifically design for co-processing of bio-oil with vacuum gas oil (VGO). This work used model compounds and VGO which illuminated differences in products produced by the catalysts.

biomass↗
DOE OSTI2012

Compressed supersymmetry after 1 fb⁻¹ at the Large Hadron Collider

We study the reach of the Large Hadron Collider with 1 fb⁻¹ of data at √s=7 TeV for several classes of supersymmetric models with compressed mass spectra, using jets and missing transverse energy cuts like those employed by ATLAS for summer 2011 data. In the limit of extreme compression, the best limits come from signal regions that do not require more than 2 or 3 jets and that remove backgrounds by requiring more missing energy rather than a higher effective mass.

LeCompte, Thomas J.↗
DOE OSTI2024

Search for New Phenomena in Two-Body Invariant Mass Distributions Using Unsupervised Machine Learning for Anomaly Detection at s = 13 TeV with the ATLAS Detector

Searches for new resonances are performed using an unsupervised anomaly-detection technique. Events with at least one electron or muon are selected from 140 fb − 1 of p p collisions at s = 13 TeV recorded by ATLAS at the Large Hadron Collider. The approach involves training an autoencoder on data, and subsequently defining anomalous regions based on the reconstruction loss of the decoder. Studies focus on nine invariant mass spectra that contain pairs of objects consisting of one light jet or b jet and either one lepton ( e , μ ) , photon, or second light jet or b jet in the anomalous regions. No significant deviations from the background hypotheses are observed. Limits on contributions from generic Gaussian signals with various widths of the resonance mass are obtained for nine invariant masses in the anomalous regions. © 2024 CERN, for the ATLAS Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Measurements of $\pi^-$ production in $^7$Be+$^9$Be collisions at beam momenta from 19$A$ to 150$A$GeV/$c$ in the NA61/SHINE experiment at the CERN SPS

The NA61/SHINE collaboration studies at the CERN Super Proton Synchrotron (SPS) the onset of deconfinement in hadronic matter by the measurement of particle production in collisions of nuclei with various sizes at a set of energies covering the SPS energy range. This paper presents results on inclusive double-differential spectra and mean multiplicities of $\pi^{-}$ mesons produced in the 5% most central $^7$Be + $^9$Be collisions at beam momenta of 19$A$, 30$A$, 40$A$, 75$A$ and 150$A$ GeV/$c$ obtained by the so-called $h^-$ method which does not require any particle identification. The shape of the transverse mass spectra differs from the shapes measured in central Pb + Pb collisions and inelastic p + p interactions. The normalized width of the rapidity distribution decreases with increasing collision energy and is in between the results for inelastic nucleon-nucleon and central Pb + Pb collisions. The mean multiplicity of pions per wounded nucleon in central $^7$Be + $^9$Be collisions is close to that in central Pb + Pb collisions up to 75$A$GeV/$c$. However, at the top SPS energy the result is close to the one for inelastic nucleon-nucleon interactions. The results are discussed in the context of predictions for the onset of deconfinement at the CERN SPS collision energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Status of the experiment for the search of a dark photon at VEPP–3

The status of the experiment to search for a new gauge boson, A', in e + e - annihilation by means of a positron beam incident on a gas hydrogen target internal to the bypass at the VEPP-3 storage ring is reported. The search method is based on a missing mass spectra in reaction e + e - → γA'. It allows observation of the A' signal independently of its decay modes and life time. The projected result of this experiment corresponds to an upper limit on the square of coupling constant ε 2 = (0.2 ÷ 1.0) · 10 -7 with a signal-to-noise ratio of two to one at A' mass of 5–20 MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2003

Measurement of Surface Composition for the Icy Galilean Moons Via Neutral and Ion Mass Spectrometry from Orbit with JIMO

In this paper, we will provide insights into mass spectrometer requirements. In addition, we will describe the modeling of the neutrals ejected from likely surface materials and their ionization rates in the Jovian environment. We will use such models to connect the mass spectra measurements of the freshly formed ions to surface composition. We will also discuss what possible compositional signatures are for endogenic materials other than water ice. Finally, since a goal is to identify material composition with surface features, we will describe the transport of neutrals ejected from the surface prior to detection by either an ion or neutral mass spectrometer.

Wong, M.↗
DOE OSTI2020

Flying Blind, or Just Flying Under the Radar? The Underappreciated Power of De Novo Methods of Mass Spectrometric Peptide Identification

Mass spectrometry-based proteomics is a popular and powerful method for precise and highly multiplexed protein identification. The most common method of analyzing untargeted proteomics data is called database searching, where the database is simply a collection of protein sequences from the target organism, derived from genome sequencing. Experimental peptide tandem mass spectra are compared to simplified models of theoretical spectra calculated from the translated genomic sequences. However, in several interesting application areas, such as forensics, archaeology, venomics and others, a genome sequence may not be available, or the correct genome sequence to use is not known. In these cases, de novo peptide identification can play an important role. De novo peptide identification infers peptide sequence directly from the tandem mass spectrum without reference to a sequence database, usually using graph-based or machine learning algorithms. In this review, we provide a basic overview of de novo peptide identification methods and applications, briefly covering de novo algorithms and tools, and focusing in more depth on recent applications from venomics, metaproteomics, forensics, and characterization of antibody drugs.

proteomics, mass spectrometry, forensics, de novo ↗
DOE OSTI2026

Highlighting the Importance of Authentic Reference Chemicals in the Unambiguous Identification of Unknowns during Routine Sample Analysis─An OPCW Proficiency Test Case

The unequivocal identification of unknown chemicals during routine sample analysis is a constant occurrence in the field of analytical chemistry. The process can be painstakingly tedious, particularly in situations where a tentatively identified unknown may possess isomeric counterparts yielding identical accurate mass values and very similar mass spectra. In this work, we present the experimental process involved in the correct identification of 1,4-oxathiane 4,4-dioxide and differentiation from its constitutional isomer, 2-hydroxyethyl vinyl sulfone, when present in a silica gel matrix featured in the 54th Environmental Organisation for the Prohibition of Chemical Weapons (OPCW) proficiency test. After discovering that the library-generated mass spectrum for 2-hydroxyethyl vinyl sulfone in a preliminary gas chromatography–mass spectrometry (GC-MS) analysis did not match the one from an authentic reference chemical, we embarked on an unknown structure determination campaign involving GC-MS, liquid chromatography-tandem mass spectrometry (LC-MS-MS), and nuclear magnetic resonance (NMR) spectroscopy. All of the information obtained, coupled to the synthesis of an authentic reference chemical, was used to determine the identity of the unknown as 1,4-oxathiane 4,4-dioxide. The process described in this work highlights the important role played by authentic reference chemicals in the identification of unknown chemicals during routine sample analysis.

Chemistry↗
DOE OSTI2014

Generation of gas-phase zirconium fluoroanions by electrospray of an ionic liquid

RATIONALE: When measuring extremely wide isotope ratios (= 1 x 109) accelerator mass spectrometry (AMS) is the instrument of choice, however it requires an anion for injection into the tandem accelerator. Since many elements do not have positive electronegativities they do not form stable negative atomic ions, and hence are not compatible for isotope ratio measurement using AMS. Thus new approaches for forming anions are sought; fluoroanions are particularly attractive because fluorine is monoisotopic, and thus will not have overlapping isobars with the isotope of interest. METHODS: An approach is described for making zirconium fluoroanions using the fluorinating ionic liquid (IL) 1-ethyl-3-methylimidazolium fluorohydrogenate, which was used to generate abundant [ZrF5-] using electrospray ionization. The IL was dissolved in acetonitrile, combined with a dilute solution of either Zr4+ or ZrO2+, and then electrosprayed. Mass analysis and collision induced dissociation were conducted using a time-of-flight mass spectrometer. Cluster structures were predicted using density functional theory calculations. RESULTS: The fluorohydrogenate IL solutions generated abundant [ZrF5-] starting from solutions of both Zr4+ and ZrO2+. The mass spectra also contained IL-bearing cluster ions, whose compositions indicated the presence of [ZrF6]2- in solution, a conclusion supported by the structural calculations. Rinsing out the zirconium-IL solution with acetonitrile decreased the IL clusters, but enhanced [ZrF5]-, which was sorbed by the polymeric electrospray supply capillary, and then released upon rinsing. This reduced the ion background in the mass spectrum. CONCLUSIONS: The fluorohydrogenate-IL solutions are a facile way to form zirconium fluoroanions in the gas phase using electrospray. The approach has potential as a source of fluoroanions for injection into an AMS, which would enable high-sensitivity measurement of minor zirconium isotopes, and benefits from the absence of overlapping isobars caused by the charge carrier (i.e., the monoisotopic fluorine atoms).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Searching for a dark photon: project of the experiment at VEPP-3

In this paper, we propose an experiment to search for a new gauge boson A' in $e^+e^-$ annihilation by means of a positron beam incident on a gas hydrogen target internal to the bypass at the VEPP-3 storage ring. The search method is based on a missing mass spectra in the reaction $e^+e^-\rightarrow \gamma$ A'. It allows observation of the A' signal independently of its decay modes and life time. The projected result of this experiment corresponds to an upper limit on the square of the coupling constant $\varepsilon^2=3\cdot 10^{-8}$ with a signal-to-noise ratio of two to one at an A' mass of 5-20 MeV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Partial wave analysis of the reaction p(3.5 GeV) + p → pK + Λ to search for the "ppK – " bound state

Employing the Bonn–Gatchina partial wave analysis framework (PWA), we have analyzed HADES data of the reaction p(3.5GeV) + p → pK + Λ. This reaction might contain information about the kaonic cluster “ppK - ” (with quantum numbers J P =0 - and total isospin I =1/2) via its decay into pΛ. Due to interference effects in our coherent description of the data, a hypothetical K ¯NN (or, specifically “ppK - ”) cluster signal need not necessarily show up as a pronounced feature (e.g. a peak) in an invariant mass spectrum like pΛ. Our PWA analysis includes a variety of resonant and non-resonant intermediate states and delivers a good description of our data (various angular distributions and two-hadron invariant mass spectra) without a contribution of a K ¯NN cluster. At a confidence level of CL s =95% such a cluster cannot contribute more than 2–12% to the total cross section with a pK + Λ final state, which translates into a production cross-section between 0.7 μb and 4.2 μb, respectively. The range of the upper limit depends on the assumed cluster mass, width and production process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗