Determination of Fe3+/ΣFe of XANES basaltic glass standards by Mössbauer spectroscopy and its application to the oxidation state of iron in MORB
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Zhang, Hongluo L. (ORCID:0000000176044876)↗
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Saturation curve of SiO{sub 2} component in rutile-type GeO{sub 2}: A recoverable high-temperature pressure standard from 3 GPa to 10 GPa
The accuracy and precision of pressure measurements and the pursuit of reliable and readily available pressure scales at simultaneous high temperatures and pressures are still topics in development in high pressure research despite many years of work. In situ pressure scales based on x-ray diffraction are widely used but require x-ray access, which is lacking outside of x-ray beam lines. Other methods such as fixed points require several experiments to bracket a pressure calibration point. In this study, a recoverable high-temperature pressure gauge for pressures ranging from 3 GPa to 10 GPa is presented. The gauge is based on the pressure-dependent solubility of an SiO{sub 2} component in the rutile-structured phase of GeO{sub 2} (argutite), and is valid when the argutite solid solution coexists with coesite. The solid solution varies strongly in composition, mainly in pressure but also somewhat in temperature, and the compositional variations are easily detected by x-ray diffraction of the recovered products because of significant changes in the lattice parameters. The solid solution is measured here on two isotherms, one at 1200 °C and the other at 1500 °C, and is developed as a pressure gauge by calibrating it against three fixed points for each temperature and against the lattice parameter of MgO measured in situ at a total of three additional points. A somewhat detailed thermodynamic analysis is then presented that allows the pressure gauge to be used at other temperatures. This provides a way to accurately and reproducibly evaluate the pressure in high pressure experiments and applications in this pressure-temperature range, and could potentially be used as a benchmark to compare various other pressure scales under high temperature conditions. - Graphical abstract: The saturation curve of SiO{sub 2} in TiO{sub 2} shows a strong pressure dependence and a strong dependence of unit cell volume on composition. This provides an opportunity to use this saturation curve as a measurement of pressure during a high-pressure experiment. The curve is a sensitive measure of pressure from 3 GPa to 10 GPa at high temperatures. The pressure is derived from lattice parameter measurements on the recovered solid solution, meaning that in-situ measurements are not necessary to evaluate the pressure of the experiment. - Highlights: • The unit cell of a saturated GeO{sub 2}–SiO{sub 2} solid solution is used as a pressure sensor. • We measure nine bracketed pressure points on the GeO{sub 2}–SiO{sub 2} saturation surface. • We provide a pressure calibrant from 3 GPa to 10 GPa at two temperatures. • Four points are measured at 1200 °C and five points at 1500 °C. • A thermodynamic model is developed for use of the calibrant at other temperatures.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?
Coupled-cluster (CC) methods have been extensively used as the high-level approach in quantum electronic structure theory to predict various properties of molecules when experimental results are unavailable. It is often assumed that CC methods, if they include at least up to connected-triple-excitation quasiperturbative corrections to a full treatment of single and double excitations (in particular, CCSD(T)), and a very large basis set, are more accurate than Kohn–Sham (KS) density functional theory (DFT). In the present work, we tested and compared the performance of standard CC and KS methods on bond energy calculations of 20 3d transition metal-containing diatomic molecules against the most reliable experimental data available, as collected in a database called 3dMLBE20. It is found that, although the CCSD(T) and higher levels CC methods have mean unsigned deviations from experiment that are smaller than most exchange-correlation functionals for metal–ligand bond energies of transition metals, the improvement is less than one standard deviation of the mean unsigned deviation. Furthermore, on average, almost half of the 42 exchange-correlation functionals that we tested are closer to experiment than CCSD(T) with the same extended basis set for the same molecule. The results show that, when both relativistic and core–valence correlation effects are considered, even the very high-level (expensive) CC method with single, double, triple, and perturbative quadruple cluster operators, namely, CCSDT(2)Q, averaged over 20 bond energies, gives a mean unsigned deviation (MUD(20) = 4.7 kcal/mol when one correlates only valence, 3p, and 3s electrons of transition metals and only valence electrons of ligands, or 4.6 kcal/mol when one correlates all core electrons except for 1s shells of transition metals, S, and Cl); and that is similar to some good xc functionals (e.g., B97-1 (MUD(20) = 4.5 kcal/mol) and PW6B95 (MUD(20) = 4.9 kcal/mol)) when the same basis set is used. We found that, for both coupled cluster calculations and KS calculations, the T1 diagnostics correlate the errors better than either the M diagnostics or the B1 DFT-based diagnostics. The potential use of practical standard CC methods as a benchmark theory is further confounded by the finding that CC and DFT methods usually have different signs of the error. We conclude that the available experimental data do not provide a justification for using conventional single-reference CC theory calculations to validate or test xc functionals for systems involving 3d transition metals.
Environmental Molecular Sciences Laboratory↗
Search for minimal supersymmetric standard model Higgs Bosons H / A and for a $Z^{\prime}$ boson in the $\tau\tau $ final state produced in pp collisions at $\sqrt{s}$= 13 TeV with the ATLAS detector
A search for neutral Higgs bosons of the minimal supersymmetric standard model (MSSM) and for a heavneutral Z ' boson is performed using a data sample corresponding to an integrated luminosity of 3.2 fb - 1 from proton–proton collisions at √s=13 TeV recorded by the ATLAS detector at the LHC. The heavy resonance is assumed to decay to a τ + τ - pair with at least one τ lepton decaying to final states with hadrons and a neutrino. The search is performed in the mass range of 0.2–1.2 TeV for the MSSM neutral Higgs bosons and 0.5–2.5 TeV for the heavy neutral Z ' boson. The data are in good agreement with the background predicted by the Standard Model. The results are interpreted in MSSM and Z ' benchmark scenarios. The most stringent constraints on the MSSM m A –tan β space exclude at 95 % confidence level (CL) tan β > 7.6 for m A = 200 GeV in the m$mod+\atop{h}$ MSSM scenario. For the Sequential Standard Model, a Z$'\atop{SSM}$ mass up to 1.90 TeV is excluded at 95 % CL and masses up to 1.82–2.17 TeV are excluded for a Z'$\atop{SFM}$ of the strong flavour model.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Metadata Standards for the NSE: Extended Field Standards
This standard presents a set of optional metadata fields for managed digital objects within the Nuclear Security Enterprise (NSE) and provides a deeper look at data representation in metadata by looking at the representation of 1) Records Management required metadata, and 2) common representations of technical/scientific data. Metadata standardization is a critical enabler for effectively sharing data, documents, and other digital objects between NSE sites, and for tracing the digital thread at the object level. Standardization is necessary for both schemas and vocabularies, meaning that both field standards and value standards must be specified. This document serves as a complementary field standard, recommending an optional set of fields that should be uniformly built for all managed digital objects within the NSE. This document specifically focuses on extending the shared discovery layer defined in the first white paper by introducing additional descriptive and data representation fields that improve cross-site search and interpretation.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
InterCarb: A Community Effort to Improve Interlaboratory Standardization of the Carbonate Clumped Isotope Thermometer Using Carbonate Standards
Abstract Increased use and improved methodology of carbonate clumped isotope thermometry has greatly enhanced our ability to interrogate a suite of Earth‐system processes. However, interlaboratory discrepancies in quantifying carbonate clumped isotope (Δ 47 ) measurements persist, and their specific sources remain unclear. To address interlaboratory differences, we first provide consensus values from the clumped isotope community for four carbonate standards relative to heated and equilibrated gases with 1,819 individual analyses from 10 laboratories. Then we analyzed the four carbonate standards along with three additional standards, spanning a broad range of δ 47 and Δ 47 values, for a total of 5,329 analyses on 25 individual mass spectrometers from 22 different laboratories. Treating three of the materials as known standards and the other four as unknowns, we find that the use of carbonate reference materials is a robust method for standardization that yields interlaboratory discrepancies entirely consistent with intralaboratory analytical uncertainties. Carbonate reference materials, along with measurement and data processing practices described herein, provide the carbonate clumped isotope community with a robust approach to achieve interlaboratory agreement as we continue to use and improve this powerful geochemical tool. We propose that carbonate clumped isotope data normalized to the carbonate reference materials described in this publication should be reported as Δ 47 (I‐CDES) values for Intercarb‐Carbon Dioxide Equilibrium Scale.
58 GEOSCIENCES↗
Gold Standard for macromolecular crystallography diffraction data
Explore the source record for details and available documents.
99 GENERAL AND MISCELLANEOUS↗
A Life Study of Ausforged, Standard Forged and Standard Machined AISI M-50 Spur Gears
Tests were conducted at 350 K (170 F) with three groups of 8.9 cm (3.5 in.) pitch diameter spur gears made of vacuum induction melted (VIM) consumable-electrode vacuum-arc melted (VAR), AISI M-50 steel and one group of vacuum-arc remelted (VAR) AISI 9310 steel. The pitting fatigue life of the standard forged and ausforged gears was approximately five times that of the VAR AISI 9310 gears and ten times that of the bending fatigue life of the standard machined VIM-VAR AISI M-50 gears run under identical conditions. There was a slight decrease in the 10-percent life of the ausforged gears from that for the standard forged gears, but the difference is not statistically significant. The standard machined gears failed primarily by gear tooth fracture while the forged and ausforged VIM-VAR AISI M-50 and the VAR AISI 9310 gears failed primarily by surface pitting fatigue. The ausforged gears had a slightly greater tendency to fail by tooth fracture than the standard forged gears.
Townsend, D. P.↗
A life study of ausforged, standard forged, and standard machined AISI M-50 spur gears
Tests were conducted at 350 K with three groups of 8.9 cm pitch diameter spur gears made of vacuum-induction melted (VIM), vacuum-arc remelted (VAR), AISI M-50 steel and one group of vacuum-arc remelted (VAR) AISI 9310 steel. The pitting fatigue life of the standard forged and ausforged gears was approximately five times that of the VAR AISI 9310 gears and ten times that of the bending fatigue life of the standard machined VIM-VAR AISI M-50 gears run under identical conditions. There was a slight decrease in the 10-percent life of the ausforged gears from that for the standard forged gears. However, the difference is not statistically significant. The standard machined gears failed primarily by gear tooth fracture while the forged and ausforged VIM-VAR AISI M-50 and the VAR AISI 9310 gears failed primarily by surface pitting fatigue. The ausforged gears had a slightly greater tendency to fail by tooth fracture than the standard forged gears.
Townsend, D. P.↗
Standard and Non-Standard Neutrino Oscillations at the NOvA Experiment
Initially believed to be massless, the discovery of neutrino oscillations proved that neutrinos have masses, a feature not anticipated by the Standard Model of Elementary Particles. Investigations of the existence of the so-called physics Beyond the Standard Model is a subject of active effort in the field of particle physics. Interactions of neutrinos with matter are well described by the Standard Model, however in the presence of new physics our knowledge and ability to measure the standard neutrino oscillation parameters may be affected. Non-Standard Interactions (NSI) may arise as a subleading effect to the neutrino oscillation framework by introducing additional parameters resulting from a generalized matter potential.
79 ASTRONOMY AND ASTROPHYSICS↗
A practical approach to using the Genomic Standards Consortium MIxS reporting standard for comparative genomics and metagenomics
Comparative analysis of (meta)genomes necessitates aggregation, integration, and synthesis of well-annotated data using standards. The Genomic Standards Consortium (GSC) collaborates with the research community to develop and maintain the Minimal Information about any (x) Sequence (MIxS) reporting standard for genomic data. To facilitate use of the GSC’s MIxS reporting standard, we provide a description of the structure and terminology, how to navigate ontologies for required terms in MIxS, and demonstrate practical usage through a soil metagenome example.
standards, metadata, genome, metagenome, schema, v↗
Overview of the DOE hydrogen safety, codes and standards program, part 3: Advances in research and development to enhance the scientific basis for hydrogen regulations, codes and standards
Hydrogen fuels are being deployed around the world as an alternative to traditional petrol and battery technologies. As with all fuels, regulations, codes and standards are a necessary component of the safe deployment of hydrogen technologies. There has been a focused effort in the international hydrogen community to develop codes and standards based on strong scientific principles to accommodate the relatively rapid deployment of hydrogen-energy systems. The need for science-based codes and standards has revealed the need to advance our scientific understanding of hydrogen in engineering environments. Here, this brief review describes research and development activities with emphasis on scientific advances that have aided the advancement of hydrogen regulations, codes and standards for hydrogen technologies in four key areas: (1) the physics of high-pressure hydrogen releases (called hydrogen behavior); (2) quantitative risk assessment; (3) hydrogen compatibility of materials; and (4) hydrogen fuel quality.
08 HYDROGEN↗
ESDIS Standards Office (ESO): Requirements, Standards and Practices
The ESDIS Standards Office assists the ESDIS Project in formulating standards policy for NASA Earth Science Data Systems (ESDS), coordinates standards activities within ESDIS, and provides technical expertise and assistance with standards related tasks within the NASA Earth Science Data System Working Groups (ESDSWG). This poster summarizes information found on the earthdata.nasa.gov site that describes the ESO.
Interoperability↗
Search for the Standard Model Higgs boson produced by vector-boson fusion and decaying to bottom quarks in $ \sqrt{s}=8 $ TeV pp collisions with the ATLAS detector
A search with the ATLAS detector is presented for the Standard Model Higgs boson produced by vector-boson fusion and decaying to a pair of bottom quarks, using 20.2 fb -1 of LHC proton-proton collision data at √s=8 TeV. The signal is searched for as a resonance in the invariant mass distribution of a pair of jets containing b-hadrons in vector-boson-fusion candidate events. The yield is measured to be -0.8 ± 2.3 times the Standard Model cross-section for a Higgs boson mass of 125 GeV. The upper limit on the cross-section times the branching ratio is found to be 4.4 times the Standard Model cross-section at the 95% confidence level, consistent with the expected limit value of 5.4 (5.7) in the background-only (Standard Model production) hypothesis.[Figure not available: see fulltext.]
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Development of a Low-Level 39Ar Calibration Standard – Analysis by Absolute Gas Counting Measurements Augmented with Simulation
This paper describes the generation of 39Ar, via reactor irritation of potassium carbonate, followed by quantitative analysis (length-compensated proportional counting) to yield calibration standards that are approximately 50 and 3 times atmospheric background levels. Measurements were performed in Pacific Northwest National Laboratory’s shallow underground counting laboratory studying the effect of gas density on beta-transport; these results are compared with simulation. The total expanded uncertainty of the specific activity for the ~50x 39Ar in P10 standard is 3.6% (k=2).
Absolute radiation measurement↗
EcoFAB: Advancing microbiome science through standardized fabricated ecosystems
The vital role microbiomes play in ecosystems and for human health is now apparent. Great progress has been made by using model systems to gain insight into host-microbe interactions, yet lack of standardized reproducible experimental systems and methods greatly limits microbiome science. Recent successes highlight the importance of developing these types of systems to deconstruct mechanisms mediating host-microbe interactions. Standardization of ‘fabricated ecosystems’ would enable detailed mechanistic interrogation and more effective knowledge transfer between researchers – analogous to the significant impact model organisms and cell systems have had in molecular and cell biology. To advance these efforts we advocate for strategies and overarching themes to enable communities of scientists to work together to develop standardized laboratory microbial consortia for studying host-associated microbiomes.
Zengler, Karsten↗