Giant Pressure-Driven Lattice Collapse Coupled with Intermetallic Bonding and Spin-State Transition in Manganese Chalcogenides
Abstract not provided
Wang, Yonggang↗
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Electrochemistry and Spectroelectrochemistry of the Pu (III/IV) and (IV/VI) Couples in Nitric Acid Systems
The solution chemistry of Pu in nitric acid is explored via electrochemistry and spectroelectrochemistry. By utilizing and comparing these techniques, an improved understanding of Pu behavior and its dependence on nitric acid concentration can be achieved. Here the Pu (III/IV) couple is characterized using cyclic voltammetry, square wave voltammetry, and a spectroelectrochemical Nernst step. Results indicate the formal reduction potential of the couple shifts negative with increasing acid concentration and reversible electrochemistry is no longer attainable above 6 M HNO3. Spectroelectrochemistry is also used to explore the irreversible oxidation of Pu(IV) to Pu(VI) and shine light on the mechanism and acid dependence of the redox reaction.
Lines, Amanda M.↗
A Vision for Coupling Operation of US Fusion Facilities with HPC Systems and the Implications for Workflows and Data Management
The operation of large US Department of Energy (DOE) research facilities, like the DIII-D National Fusion Facility, results in the collection of complex multi-dimensional scientific datasets, both experimental and model-generated. In the future, it is envisioned that integrated data analysis coupled with large-scale high performance computing (HPC) simulations will be used to improve experimental planning and operation. Practically, massive data sets from these simulations provide the physics basis for generation of both reduced semi-analytic and machine-learning-based models. Storage of both HPC simulation datasets (generated from US DOE leadership computing facilities) and experimental datasets presents significant challenges. In this paper, we present a vision for a DOE-wide data management workflow that integrates US DOE fusion facilities with leadership computing facilities. Data persistence and long-term availability beyond the length of allocated projects is essential, particularly for verification and recalibration of artificial intelligence and machine learning (AI/ML) models. Because these data sets are often generated and shared among hundreds of users across multiple leadership computing facility centers, they would benefit from cross-platform accessibility, persistent identifiers (e.g. DOI, or digital object identifier), and provenance tracking. Here, the ability to handle different data access patterns suggests that a combination of low cost, high latency (e.g. for storing ML training sets) and high cost, low latency systems (e.g. for real-time, integrated machine control feedback) may be needed.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Evidence for the Higgs-boson Yukawa coupling to tau leptons with the ATLAS detector
Results of a search for H → ττ decays are presented, based on the full set of proton-proton collision data recorded by the ATLAS experiment at the LHC during 2011 and 2012. The data correspond to integrated luminosities of 4.5 fb –1 and 20.3 fb –1 at centre-of-mass energies of √s=7 TeV and √s=8 TeV respectively. All combinations of leptonic (τ → ℓνν¯ with ℓ = e, μ) and hadronic (τ → hadrons ν) tau decays are considered. An excess of events over the expected background from other Standard Model processes is found with an observed (expected) significance of 4.5 (3.4) standard deviations. This excess provides evidence for the direct coupling of the recently discovered Higgs boson to fermions. The measured signal strength, normalized to the Standard Model expectation, of μ = 1.43 –0.37 +0.43 is consistent with the predicted Yukawa coupling strength in the Standard Model.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Study of (W/Z)H production and Higgs boson couplings using H→ W W * decays with the ATLAS detector
A search for Higgs boson production in association with a W or Z boson, in the H→ W W * decay channel, is performed with a data sample collected with the ATLAS detector at the LHC in proton-proton collisions at centre-of-mass energies \( \sqrt{s}=7 \) TeV and 8 TeV, corresponding to integrated luminosities of 4.5 fb -1 and 20.3 fb -1 , respectively. The WH production mode is studied in two-lepton and three-lepton final states, while two- lepton and four-lepton final states are used to search for the ZH production mode. The observed significance, for the combined W H and ZH production, is 2.5 standard deviations while a significance of 0.9 standard deviations is expected in the Standard Model Higgs boson hypothesis. The ratio of the combined W H and ZH signal yield to the Standard Model expectation, μ V H , is found to be μ V H = 3.0 -1.1 +1.3 (stat.) -0.7 +1.0 (sys.) for the Higgs boson mass of 125.36 GeV. The W H and ZH production modes are also combined with the gluon fusion and vector boson fusion production modes studied in the H → W W * → ℓνℓν decay channel, resulting in an overall observed significance of 6.5 standard deviations and μ ggF + VBF + VH = 1.16 -0.15 +0.16 (stat.) -0.15 +0.18 (sys.). The results are interpreted in terms of scaling factors of the Higgs boson couplings to vector bosons (κ V ) and fermions (κ F ); the combined results are: |κ V | = 1.06 -0.10 +0.10 , |κ F | = 0.85 -0.20 +0.26 .
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Measurements of the Higgs boson production and decay rates and constraints on its couplings from a combined ATLAS and CMS analysis of the LHC pp collision data at $ \sqrt{s}=7 $ and 8 TeV
Combined ATLAS and CMS measurements of the Higgs boson production and decay rates, as well as constraints on its couplings to vector bosons and fermions, are presented. The combination is based on the analysis of five production processes, namely gluon fusion, vector boson fusion, and associated production with a W or a Z boson or a pair of top quarks, and of the six decay modes H → ZZ, W W , γγ, ττ, bb, and μμ. All results are reported assuming a value of 125.09 GeV for the Higgs boson mass, the result of the combined measurement by the ATLAS and CMS experiments. The analysis uses the CERN LHC proton-proton collision data recorded by the ATLAS and CMS experiments in 2011 and 2012, corresponding to integrated luminosities per experiment of approximately 5 fb$^{−1}$ at $ \sqrt{s}=7 $ TeV and 20 fb$^{−1}$ at $ \sqrt{s}=8 $ TeV. The Higgs boson production and decay rates measured by the two experiments are combined within the context of three generic parameterisations: two based on cross sections and branching fractions, and one on ratios of coupling modifiers. Several interpretations of the measurements with more model-dependent parameterisations are also given. The combined signal yield relative to the Standard Model prediction is measured to be 1.09 ± 0.11. The combined measurements lead to observed significances for the vector boson fusion production process and for the H → ττ decay of 5.4 and 5.5 standard deviations, respectively. The data are consistent with the Standard Model predictions for all parameterisations considered.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Measurement of total and differential W + W - production cross sections in proton-proton collisions at √s=8 TeV with the ATLAS detector and limits on anomalous triple-gauge-boson couplings
The production of W boson pairs in proton-proton collisions at √s=8 TeV is studied using data corresponding to 20.3 fb -1 of integrated luminosity collected by the ATLAS detector during 2012 at the CERN Large Hadron Collider. The W bosons are reconstructed using their leptonic decays into electrons or muons and neutrinos. Events with reconstructed jets are not included in the candidate event sample. A total of 6636 WW candidate events are observed. Measurements are performed in fiducial regions closely approximating the detector acceptance. The integrated measurement is corrected for all acceptance effects and for the W branching fractions to leptons in order to obtain the total WW production cross section, which is found to be 71.1 ± 1.1(stat) -5.0+5.7(syst)±1.4(lumi) pb. This agrees with the next-to-next-to-leading-order Standard Model prediction of 63.2-1.4+1.6(scale)±1.2(PDF) pb. Fiducial differential cross sections are measured as a function of each of six kinematic variables. The distribution of the transverse momentum of the leading lepton is used to set limits on anomalous triple-gauge-boson couplings.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Measurement of the Zγ → $\mathcal{v}$$\bar{v}$γ production cross section in pp collisions at $\sqrt{s}=13$ TeV with the ATLAS detector and limits on anomalous triple gauge-boson couplings
The production of Z bosons in association with a high-energy photon ( Z γ production) is studied in the neutrino decay channel of the Z boson using pp collisions at $\sqrt{s}=13$ TeV. The analysis uses a data sample with an integrated luminosity of 36.1 fb -1 collected by the ATLAS detector at the LHC in 2015 and 2016. Candidate Z γ events with invisible decays of the Z boson are selected by requiring significant transverse momentum (ρ τ ) of the dineutrino system in conjunction with a single isolated photon with large transverse energy (Ε τ ). The rate of Z γ production is measured as a function of photon Ε τ , dineutrino system pT and jet multiplicity. Here, evidence of anomalous triple gauge-boson couplings is sought in Z γ production with photon Ε τ greater than 600 GeV. No excess is observed relative to the Standard Model expectation, and upper limits are set on the strength of ZZ γ and Z γγ couplings.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Ultra-High Resolution Elemental/Isotopic Mass Spectrometry (m/?m> 1,000,000): Coupling of the Liquid Sampling-Atmospheric Pressure Glow Discharge with an Orbitrap Mass Spectrometer for Applications in Biological Chemistry and Environmental Analysis
Many fundamental questions of astrophysics, biochemistry, and geology rely on the ability to accurately and precisely measure the mass and abundance of isotopes. Taken a step further, the capacity to perform such measurements on intact molecules provides insights into processes in diverse biological systems. Described here is the coupling of a combined atomic and molecular (CAM) ionization source, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma, with a commercially available ThermoScientific Fusion Lumos mass spectrometer. Demonstrated for the first time is the ionization and isotopically-resolved fingerprinting of a long-postulated, but never mass-spectrometrically observed, bi-metallic complex Hg:Se-cysteine. Such a complex has been implicated as having a role in observations of Hg detoxification by selenoproteins/amino acids. Demonstrated as well is the ability to mass spectrometrically-resolve the geochronologically important isobaric 87Sr and 87Rb species (?m ~ 0.3 mDa, mass resolution m/?m ? 1,700,000). The mass difference in this case reflects the beta-decay of the 87Rb to the stable Sr isotope. These two demonstrations highlight what may be a significant change in bioinorganic and atomic mass spectrometry, with impact expected across a broad spectrum of the physical, biological and geological sciences.
Hoegg, Edward D.↗
Screening of the Suzuki Cross-Coupling Reaction Using Desorption Electrospray Ionization in High-Throughput and in Leidenfrost Droplet Experiments
Suzuki cross-coupling is a widely performed reaction, typically using metal catalysts under heated conditions. Acceleration of the Suzuki cross-coupling reaction has been previously explored in microdroplets using desorption electrospray ionization mass spectrometry (DESI-MS). Building upon previous work, presented here is the use of a high-throughput DESI-MS screening system to identify optimal reaction conditions. Multiple reagents, bases, and stoichiometries were screened using the automated system at rates that approach 10,000 reaction mixture systems per hour. The DESI-MS system utilizes reaction acceleration in microdroplets to allow rapid screening. The results of screening of an array of reaction mixtures using this technique are presented as product ion images via standard MS imaging software, facilitating quick readout. Instructive comparisons are provided with another method of generating droplets for reaction acceleration—the Leidenfrost technique. Acceleration factors greater than 200 were measured for brominated substrates, paralleling the DESI-MS results. Acceleration factors dropped to near unity with highly substituted pyridines, attributable to a steric effect. The reaction proceeded in the absence of a base in Leidenfrost droplets although no product formation was seen without base in the bulk or in the DESI-MS screening experiments. These differences between Leidenfrost chemistry and the bulk and in droplets formed in high-throughput DESI are tentatively attributed to extremes of pH associated with the surfaces of Leidenfrost droplets. .
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Coupled electronic and atomic effects on defect evolution in silicon carbide under ion irradiation
Not Available
Zhang, Yanwen↗
Towards an All-Vanadium Redox Flow Battery with Higher Theoretical Volumetric Capacities by Utilizing the VO2+/V3+ Couple
An all-vanadium redox flow battery with V(IV) as the sole parent active species is developed by accessing the VO2+/V3+ redox couple. These batteries, named as V4RBs, The new design possesses a higher theoretical volumetric capacity. Copper ions were identified as an effective additive to boost the performances.
Duan, Wentao↗
Monte Carlo Simulations of Coupled Diffusion and Surface Reactions during the Aqueous Corrosion of Borosilicate Glasses
Borosilicate nuclear waste glasses develop complex altered layers as a result of coupled processes such as hydrolysis of network species, condensation of Si species, and diffusion. However, diffusion has often been overlooked in Monte Carlo models of the aqueous corrosion of borosilicate glasses. Therefore, three different models for dissolved Si diffusion in the altered layer were implemented in a Monte Carlo model and evaluated for glasses in the compositional range (75-x) mol% SiO2 (12.5+x/2) mol% B2O3 and (12.5+x/2) mol% Na2O, where 0 ≤ x ≤ 20%, and corroded in static conditions at a surface-to-volume ratio of 1000 m-1. The three models considered instantaneous homogenization (M1), linear concentration gradients (M2), and concentration profiles determined by solving Fick’s 2nd law using a finite difference method (M3). Model M3 revealed that concentration profiles in the altered layer are not linear and show changes in shape and magnitude as corrosion progresses, unlike those assumed in model M2. Furthermore, model M3 showed that, for borosilicate glasses with a high forward dissolution rate compared to the diffusion rate, the gradual polymerization and densification of the altered layer is significantly delayed compared to models M1 and M2. Models M1 and M2 were found to be appropriate models only for glasses with high release rates such as simple borosilicate glasses with low ZrO2 content.
borosilicates↗
Method development for comprehensive extraction and analysis of marine toxins: Liquid-liquid extraction and tandem liquid chromatography separations coupled to electrospray tandem mass spectrometry
Toxins from biological sources are recognized as potential chemical weapon threats, with saxitoxin and ricin listed by the chemical weapons convention (CWC) as schedule one agents (CWC reference). These two toxins represent a metabolite (saxitoxin) and protein (ricin) from algal and plant sources, respectively. An array of toxins have been listed as "select agents" by the Health and Human Services (HHS) select agent program, including ricin, abrin, saxitoxin, tetrodotoxin, specific paralytic alpha conotoxin peptides, T-2 toxin, diacetoxyscirpenols, botulinum toxins, and staphylococcal enterotoxins [1]. The quantities of these toxins dictate whether they are considered select agents with federal oversight of their storage and use. While this list captures some of the naturally occurring toxins that may pose a threat to the public, there are a number of other naturally occurring toxins that may also be a concern.
biodetection↗