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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Search for supersymmetry using vector boson fusion signatures and missing transverse momentum in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

This paper presents a search for supersymmetric particles in models with highly compressed mass spectra, in events consistent with being produced through vector boson fusion. The search uses 140 fb −1 of proton-proton collision data at $\sqrt{s}$ = 13 TeV collected by the ATLAS experiment at the Large Hadron Collider. Events containing at least two jets with a large gap in pseudorapidity, large missing transverse momentum, and no reconstructed leptons are selected. A boosted decision tree is used to separate events consistent with the production of supersymmetric particles from those due to Standard Model backgrounds. The data are found to be consistent with Standard Model predictions. The results are interpreted using simplified models of R-parity-conserving supersymmetry in which the lightest supersymmetric partner is a bino-like neutralino with a mass similar to that of the lightest chargino and second-to-lightest neutralino, both of which are wino-like. Lower limits at 95% confidence level on the masses of next-to-lightest supersymmetric partners in this simplified model are established between 117 and 120 GeV when the lightest supersymmetric partners are within 1 GeV in mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Rapid separation of beryllium and lanthanide derivatives by capillary gas chromatography

Previous studies describe derivatization of metal ions followed by analysis using gas chromatography, usually on packed columns. In many of these studies, stable and volatile derivatives were formed using fluorinated β-diketonate reagents. This paper extends previous work by investigating separations of the derivatives on small-diameter capillary gas chromatography columns and exploring on-fiber, solid-phase microextraction derivatization techniques for beryllium. The β-diketonate used for these studies was 1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-heptanedione. Derivatization of lanthanides also required addition of a neutral donor, dibutyl sulfoxide, in addition to 1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-heptanedione. Unoptimized separations on a 100-μm i.d. capillary column proved capable of rapid separations (within 15 min) of lanthanide derivatives that are adjacent to one another in the periodic table. Full-scan mass spectra were obtained from derivatives containing 5 ng of each lanthanide. Studies also developed a simple on-fiber solid-phase microextraction derivatization of beryllium. Beryllium could be analyzed in the presence of other alkali earth elements (Ba(II) and Sr(II)) without interference. Finally, extension of the general approach was demonstrated for several additional elements (i.e. Cu(II), Cr(III), and Ga(III)).

beryllium analysis↗
DOE OSTI2010

Translational diffusion of cumene and 3-methylpentane on free surfaces and pore walls studied by time-of-flight secondary ion mass spectrometry

Mobility of molecules in confined geometry has been studied extensively, but the origins of finite size effects on reduction of the glass transition temperature, T{sub g}, are controversial especially for supported thin films. We investigate uptake of probe molecules in vapor-deposited thin films of cumene, 3-methylpentane, and heavy water using secondary ion mass spectrometry and discuss roles of individual molecular motion during structural relaxation and glass-liquid transition. The surface mobility is found to be enhanced for low-density glasses in the sub-T{sub g} region because of the diffusion of molecules on pore walls, resulting in densification of a film via pore collapse. Even for high-density glasses without pores, self-diffusion commences prior to the film morphology change at T{sub g}, which is thought to be related to decoupling between translational diffusivity and viscosity. The diffusivity of deeply supercooled liquid tends to be enhanced when it is confined in pores of amorphous solid water. The diffusivity of molecules is further enhanced at temperatures higher than 1.2-1.3 T{sub g} irrespective of the confinement.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Study of charmonium decays to K S 0 K π in the B → ( K S 0 K π ) K channels

A study of the B + → $K^0_S$K + K - π + and B + → $K^0_S$K + K + π - decays is performed using proton-proton collisions at center-of-mass energies of 7, 8 and 13 TeV at the LHCb experiment. The $K^0_S$Kπ invariant mass spectra from both decay modes reveal a rich content of charmonium resonances. New precise measurements of the η c and η c (2S) resonance parameters are performed and branching fraction measurements are obtained for B + decays to η c , J/ψ, η c (2S) and χ c1 resonances. In particular, the first observation and branching fraction measurement of B + → χ c0 K 0 π + is reported as well as first measurements of the B + → K 0 K + K - π + and B + → K 0 K + K - π + branching fractions. Dalitz plot analyses of η c → $K^0_S$Kπ and η c (2S) → $K^0_S$Kπ decays are performed. A new measurement of the amplitude and phase of the Kπ S-wave as functions of the Kπ mass is performed, together with measurements of the $K^*_0$(1430), $K^*_0$(1950) and a 0 (1700) parameters. Finally, the branching fractions of χ c1 decays to K* resonances are also measured.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Absolute mass calibration of fission product distributions measured with the E-$v$ method

The mass calibration of fission product distributions measured with the energy–velocity (E-v) method constitutes a technical challenge. The energy loss of the fission fragments in the various dead layers of the spectrometer and other sources of pulse-height defects of the energy detectors are a significant source of systematic uncertainty in the mass calculations used to determine the measured fission product yields. Here, in this study, the absolute calibration of the fission mass distributions is accomplished by measuring prompt γ-rays in coincidence with the fission fragments. This allows for the direct calibration of the mass spectra and eliminates any dependence on potentially complicated energy corrections. The first test measurement was performed at the Los Alamos Neutron Science Center employing the SPectrometer for Ion DEtermination in fission Research (SPIDER). SPIDER is a 2E-2v spectrometer designed for measuring independent fission product yields from neutron-induced fission. In this test, the single-arm SPIDER (E-v) system and an array of 252 Cf sources were used. The single-arm system consisted of two time pick-off detectors for measuring the time-of-flight of the fission fragments and a double-sided silicon strip detector (DSSD) for measuring the kinetic energy. Characteristic γ-rays from fission fragments were detected using three high-purity germanium (HPGe) detectors. For the mass calibration, γ–mass coincidence events from twelve product isotopes were used. The measured FPYs from 252 Cf spontaneous fission were found to be in excellent agreement with the evaluated data after applying the absolute mass calibration. From the γ–mass coincidence events, the mass resolution of the system was also extracted. An average mass resolution of ~1.4 AMU (FWHM) for the light fragments and ~2.4 AMU (FWHM) for the heavy fragments were found. This was the first in-situ calibration and characterization of the SPIDER spectrometer, which paves the way for high-quality FPY measurements with this instrument.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Modeling the Enceladus dust plume based on in situ measurements performed with the Cassini Cosmic Dust Analyzer

We analyzed data recorded by the Cosmic Dust Analyzer on board the Cassini spacecraft during Enceladus dust plume traversals. Our focus was on profiles of relative abundances of grains of different compositional types derived from mass spectra recorded with the Dust Analyzer subsystem during the Cassini flybys E5 and E17. The E5 profile, corresponding to a steep and fast traversal of the plume, has already been analyzed. In this paper, we included a second profile from the E17 flyby involving a nearly horizontal traversal of the south polar terrain at a significantly lower velocity. Additionally, we incorporated dust detection rates from the High Rate Detector subsystem during flybys E7 and E21. We derived grain size ranges in the different observational data sets and used these data to constrain parameters for a new dust plume model. This model was constructed using a mathematical description of dust ejection implemented in the software package DUDI. Further constraints included published velocities of gas ejection, positions of gas and dust jets, and the mass production rate of the plume. Our model employs two different types of sources: diffuse sources of dust ejected with a lower velocity and jets with a faster and more colimated emission. From our model, we derived dust mass production rates for different compositional grain types, amounting to at least 28 kg s –1 . Previously, salt-rich dust was believed to dominate the plume mass based on E5 data alone. The E17 profile shows a dominance of organic-enriched grains over the south polar terrain, a region not well constrained by E5 data. By including both E5 and E17 profiles, we find the salt-rich dust contribution to be at most 1% by mass. This revision also results from an improved understanding of grain masses of various compositional types that implies smaller sizes for salt-rich grains. Our new model can predict grain numbers and masses for future mission detectors during plume traversals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Nucleation of soot: experimental assessment of the role of polycyclic aromatic hydrocarbon (PAH) dimers

The irreversible dimerization of polycyclic aromatic hydrocarbons (PAHs) – typically pyrene (C 16 H 10 ) dimerization – is widely used in combustion chemistry models to describe the soot particle inception step. This study concerns itself with the detection and identification of dimers of flame-synthesized PAH radicals and closed-shell molecules and an experimental assessment of the role of these PAH dimers for the nucleation of soot. To this end, flame-generated species were extracted from an inverse co-flow flame of ethylene at atmospheric pressure and immediately diluted with excess nitrogen before the mixture was analyzed using flame-sampling tandem mass spectrometry with collision-induced fragmentation. Signal at m/z = 404.157 (C 32 H 20 ) and m/z = 452.157 (C 36 H 20 ) were detected and identified as dimers of closed-shell C 16 H 10 and C 18 H 10 monomers, respectively. A complex between a C 13 H 9 radical and a C 24 H 12 closed-shell PAH was observed at m/z = 465.164 (C 37 H 21 ). However, a rigorous analysis of the flame-sampled mass spectra as a function of the dilution ratio, defined as the ratio of the flow rates of the diluent nitrogen to the sampled gases, indicates that the observed dimers are not flame-born, but are produced in the sampling line. In agreement with theoretical considerations, this paper provides experimental evidence that pyrene dimers cannot be a key intermediate in particle inception at elevated flame temperatures.

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

BLINK enables ultrafast tandem mass spectrometry cosine similarity scoring

Metabolomics has a long history of using cosine similarity to match experimental tandem mass spectra to databases for compound identification. Here we introduce the Blur-and-Link (BLINK) approach for scoring cosine similarity. By bypassing fragment alignment and simultaneously scoring all pairs of spectra using sparse matrix operations, BLINK is over 3000 times faster than MatchMS, a widely used loop-based alignment and scoring implementation. Using a similarity cutoff of 0.7, BLINK and MatchMS had practically equivalent identification agreement, and greater than 99% of their scores and matching ion counts were identical. This performance improvement can enable calculations to be performed that would typically be limited by time and available computational resources.

47 OTHER INSTRUMENTATION↗
DOE OSTI2011

Secondary ions mass spectroscopy measurements of dopant impurities in highly stressed InGaN laser diodes

We performed a systematic secondary ions mass spectroscopy (SIMS) study of dopant impurities in life-time stressed InGaN laser devices in order to investigate the main degradation mechanism that is observed in nitride laser diodes. A continuous wave (cw) current density of 3 kA/cm{sup 2} was applied to InGaN laser diodes over an extended period of time and we observed the characteristic square root degradation of optical power. We compared the SIMS profiles of Mg, H, and Si impurities in the aged devices and observe that the impurities are remarkably stable over 10 000 h of cw operation. Nor is there any SIMS evidence of p-contact metals penetrating into the semiconductor material. Thus our SIMS results are contrary to what one would expect for impurity diffusion causing the observed square root degradation characteristic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Analysis of Interstitial Elements in Niobium with Secondary Ion Mass Spectrometry (SIMS)

Superconducting Radio Frequency (SRF) cavities provide enhanced efficiency and reduced energy utilization in present day particle accelerators. Niobium (Nb) is the material of choice for these cavities due to its high critical temperature and critical magnetic field. In order to understand why certain treatments, especially a low temperature bake, improve performance, it is important to study Nb surface characteristics and identify elemental contamination that can affect the performance of the cavity. H, C, O, and N are of interest because they are interstitial impurities in Nb. In earlier work, SIMS analysis using a CAMECA IMS-6F with Cs{sup +} primary beam showed that C and N were probably not significant factors impacting performance but there was a very high level of H in the Nb. Ion implants of C, N, O, and D into Nb provided quantification of C, N, O and indicated that D is very mobile in the Nb. Further analyses showed that heat treated Nb has lower levels of surface H than non heat treated Nb and subsequent removal of surface oxide by etching causes intake of H in a heat treated Nb sample. This result helps confirm the role of surface oxide as a hydrogen barrier. To further understand the oxide, Nb samples were anodized to obtain a thicker surface oxide and H and D were implanted into this oxide to check for the appearance of implant peaks. SIMS depth profile analyses were carried out and confirmed the presence of the implant shape for these elements in the oxide. Relative Sensitivity Factor (RSFs) could then be calculated for quantification of H in the oxide. Since the Nb matrix signal showed little change from the oxide to the substrate, the same RSF was used to estimate the H concentration in the Nb at 2x10{sup 22} atoms/cm{sup 3}(approximately 40% mole fraction H).

36 MATERIALS SCIENCE↗
DOE OSTI2016

Molecular formula composition of β-caryophyllene ozonolysis SOA formed in humid and dry conditions

Here, we studied the molecular formula composition of six β-caryophyllene SOA samples using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry under various reaction conditions. The SOA samples were generated in dry or low relative humidity (RH) chamber conditions with or without cyclohexane. All of the studied SOA mass spectra have three distinct clusters of hundreds of negative ions referred to as Group I (100 < m/z < 400), Group II (400 < m/z < 700) and Group III (700 < m/z < 1 000) compounds. C 14-16 H 22-28 O 2-11 , C 28-29 H 42-48 O 6-16 and C 42-43 H 68-70 O 14-16 were observed as highly abundant organic compounds in the compound class of Group I, II and III, respectively. The relative intensities of most analytes were higher in humid conditions compared to those in dry conditions, indicating the importance of water-dependent reactions and the catalytic role of water both in the presence and absence of cyclohexane. In addition, molecular formulas with higher average carbon numbers were observed in humid SOA than in dry SOA in the absence of cyclohexane, suggesting a decrease of cleavage reactions in humid condition. This study characterizes β-caryophyllene ozonolysis SOA based on ultrahigh mass resolution and demonstrates the significance of humidity in terms of the molecular distributions and relative abundances of the analytes. We also discuss the possible mechanism for the formation of Group I-III compounds based on the current understanding of SOA formation in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Inverted organic solar cells comprising a solution-processed cesium fluoride interlayer

We investigate the influence of solution-processed cesium fluoride (CsF) interlayers on the performance of inverted polymer solar cells comprising a blend of poly(3-hexylthiophene-2,5-diyl):[6,6]-phenyl C{sub 61}-butyric acid methyl ester. The thickness of the CsF layer is optimized in terms of current-voltage characteristics by a variation of the solid content in solution. Capacitance-voltage characteristics reveal a shift of the built-in voltage at the cathode interface by about 0.3 V as compared to devices without a CsF layer, giving rise to an increase in open-circuit voltage by the same value. The vertical distribution of Cs{sup +} and F{sup +} ions is studied by secondary ion mass spectroscopy, indicating a strong diffusion of the alkaline fluoride into the organic layer stack.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Effect of the top electrode materials on the resistive switching characteristics of TiO{sub 2} thin film

Various metals, such as Pt, stainless steel (SUS), Al, Ni, and Ti, were used as a top electrode (TE) to evaluate the dependency of the resistive switching characteristics on the TE of the metal/TiO{sub 2}/Pt structure. The variation of the chemical composition of TiO{sub 2} in the metal/TiO{sub 2}/Pt structure before and after switching was examined to identify the factors affecting the resistive switching characteristics of the samples with various TE materials. In the case of TE/TiO{sub 2}/Pt structures showing unstable resistive switching behavior, e.g., those with the Al, Ni, and Ti TEs, secondary ion mass spectrometry revealed an increase in the oxygen concentration at the interface area between the TE metal and TiO{sub 2}. This suggests that the oxidation reaction at the interface between the TE metal and TiO{sub 2} might cause the TE/TiO{sub 2}/Pt structure to exhibit unstable resistive switching characteristics. According to these results, the oxidation reaction at the interface between the metal TE and TiO{sub 2} thin film is a primary factor affecting the resistive switching characteristics of TiO{sub 2}-based Resistive Random Access Memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intact mass spectrometry screening to optimize hydroxyl radical dose for protein footprinting

Hydroxyl radical protein footprinting (HRPF) using synchrotron radiation is a well-validated method to assess protein structure in the native solution state. In this method, X-ray radiolysis of water generates hydroxyl radicals that can react with solvent accessible side chains of proteins, with mass spectrometry used to detect the resulting labeled products. An ideal footprinting dose provides sufficient labeling to measure the structure but not so much as to influence the results. The optimization of hydroxyl radical dose is typically performed using an indirect Alexa488 fluorescence assay sensitive to hydroxyl radical concentration, but full evaluation of the experiment's outcome relies upon bottom-up liquid chromatography mass spectrometry (LC-MS) measurements to directly determine sites and extent of oxidative labeling at the peptide and protein level. A direct evaluation of the extent of labeling to provide direct and absolute measurements of dose and “safe” dose ranges in terms of, for example, average numbers of labels per protein, would provide immediate feedback on experimental outcomes prior to embarking on detailed LC-MS analyses. To this end, we describe an approach to integrate intact MS screening of labeled samples immediately following exposure, along with metrics to quantify the extent of observed labeling from the intact mass spectra. Intact MS results on the model protein lysozyme were evaluated in the context of Alexa488 assay results and a bottom-up LC-MS analysis of the same samples. In conclusion, this approach provides a basis for placing delivered hydroxyl radical dose metrics on firmer technical grounds for synchrotron X-ray footprinting of proteins, with explicit parameters to increase the likelihood of a productive experimental outcome. Further, the method directs approaches to provide absolute and direct dosimetry for all types of labeling for protein footprinting.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Suppression of donor-vacancy clusters in germanium by concurrent annealing and irradiation

Diffusion of phosphorous and arsenic in germanium under in situ proton irradiation has been performed and analyzed with secondary ion mass spectrometry. Dopant profiles corresponding to proton-exposed regions exhibit a higher penetration depth and more pronounced box shape than profiles of nonexposed regions. Continuum theoretical simulations reveal that diffusion under irradiation is much less affected by inactive donor-vacancy clusters than diffusion under annealing only. The suppression of donor-vacancy clusters is caused by interstitials in supersaturation and vacancy concentrations close to thermal equilibrium. Concurrent annealing and irradiation have the potential to attain high active doping levels in Ge.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Molecular beam deposition of Al{sub 2}O{sub 3} on p-Ge(001)/Ge{sub 0.95}Sn{sub 0.05} heterostructure and impact of a Ge-cap interfacial layer

We investigated the molecular beam deposition of Al{sub 2}O{sub 3} on Ge{sub 0.95}Sn{sub 0.05} surface with and without an ultra thin Ge cap layer in between. We first studied the atomic configuration of both Ge{sub 1-x}Sn{sub x} and Ge/Ge{sub 1-x}Sn{sub x} surfaces after deoxidation by reflection high-energy electron diffraction and resulted, respectively, in a c(4x2) and (2x1) surface reconstructions. After in situ deposition of an Al{sub 2}O{sub 3} high-{kappa} gate dielectric we evidenced using time-of-flight secondary ion mass spectroscopy analyses that Sn diffusion was at the origin of high leakage current densities in the Ge{sub 1-x}Sn{sub x}/Al{sub 2}O{sub 3} gate stack. This damage could be avoided by inserting a thin 5-nm-thick Ge cap between the oxide and the Ge{sub 1-x}Sn{sub x} layer. Finally, metal-oxide-semiconductor capacitors on the Ge capped sample showed well-behaved capacitance-voltage (C-V) characteristics with interface trap density (D{sub it}) in the range of 10{sup 12} eV{sup -1} cm{sup -2} in mid gap and higher close to the valence band edge.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Driving vertical phase separation in a bulk-heterojunction by inserting a poly(3-hexylthiophene) layer for highly efficient organic solar cells

A desirable vertical phase separation of a bulk-heterojunction was achieved by inserting a P3HT layer between the blend layer and the poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS) layer. According to the high (PEDOT:PSS) and low (P3HT) surface energies of substrate, it might be possible to modulate the vertical phase separation in the bulk-heterojunction. The result of vertical phase separation was determined using time-of-flight secondary-ion mass spectroscopy analysis. A controlled thickness of 50 nm for the inserted P3HT layer prevented undesirable light absorption and the power conversion efficiency of this condition was increased by 44% compared to that of a reference device.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Identification of peptide-binding sites within BSA using rapid, laser-induced covalent cross-linking combined with high-performance mass spectrometry

In this paper, we are developing a rapid, time-resolved method using laser-activated cross-linking to capture protein-peptide interactions as a means to interrogate the interaction of serum proteins as delivery systems for peptides and other molecules. A model system was established to investigate the interactions between bovine serum albumin (BSA) and 2 peptides, the tridecapeptide budding-yeast mating pheromone (α-factor) and the decapeptide human gonadotropin-releasing hormone (GnRH). Cross-linking of α-factor, using a biotinylated, photoactivatable p-benzoyl-L-phenylalanine (Bpa)–modified analog, was energy-dependent and achieved within seconds of laser irradiation. Protein blotting with an avidin probe was used to detect biotinylated species in the BSA-peptide complex. The cross-linked complex was trypsinized and then interrogated with nano-LC–MS/MS to identify the peptide cross-links. Cross-linking was greatly facilitated by Bpa in the peptide, but some cross-linking occurred at higher laser powers and high concentrations of a non-Bpa–modified α-factor. This was supported by experiments using GnRH, a peptide with sequence homology to α-factor, which was likewise found to be cross-linked to BSA by laser irradiation. Analysis of peptides in the mass spectra showed that the binding site for both α-factor and GnRH was in the BSA pocket defined previously as the site for fatty acid binding. This model system validates the use of laser-activation to facilitate cross-linking of Bpa-containing molecules to proteins. Finally, the rapid cross-linking procedure and high performance of MS/MS to identify cross-links provides a method to interrogate protein-peptide interactions in a living cell in a time-resolved manner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗