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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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The surprising effectiveness of topology in the chemical sciences: graphlets in our open-source library, , provide accurate white-box 2D chemical property prediction.
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The JPL airborne synthetic aperture radar is a quadpol system operating at three frequencies, which measures the complete stokes matrix of scattering targets and hence their polarization signature.
Intensity mapping experiments survey the spectrum of diffuse line radiation rather than detect individual objects at high signal-to-noise ratio. Spectral maps of unresolved atomic and molecular line radiation contain three-dimensional information about the density and environments of emitting gas and efficiently probe cosmological volumes out to high redshift. Intensity mapping survey volumes also contain all other sources of radiation at the frequencies of interest. Continuum foregrounds are typically approximately 10(sup 2)-10(Sup 3) times brighter than the cosmological signal. The instrumental response to bright foregrounds will produce new spectral degrees of freedom that are not known in advance, nor necessarily spectrally smooth. The intrinsic spectra of fore-grounds may also not be well known in advance. We describe a general class of quadratic estimators to analyze data from single-dish intensity mapping experiments and determine contaminated spectral modes from the data themselves. The key attribute of foregrounds is not that they are spectrally smooth, but instead that they have fewer bright spectral degrees of freedom than the cosmological signal. Spurious correlations between the signal and foregrounds produce additional bias. Compensation for signal attenuation must estimate and correct this bias. A successful intensity mapping experiment will control instrumental systematics that spread variance into new modes, and it must observe a large enough volume that contaminant modes can be determined independently from the signal on scales of interest.
Gravity wave activity in the stratosphere is inferred from high-horizontal-resolution temperature data from the Microwave Limb Sounder (MLS) on board the Upper Atmosphere Research Satellite (UARS).
In this study, we examine the use of a linear softening cohesive fracture model (LCFM) to predict single-trace fracture growth in short-rod (SR) and notched 3-point-bend (N3PB) test configurations in Indiana Limestone. The broad goal of this work is to (a) understand the underlying assumptions of LCFM and (b) use experimental similarities and deviations from the LCFM to understand the role of loading paths of tensile fracture propagation. Cohesive fracture models are being applied in prediction of structural and subsurface fracture propagation in geomaterials. They lump the inelastic processes occurring during fracture propagation into a thin zone between elastic subdomains. LCFM assumes that the cohesive zone initially deforms elastically to a maximum tensile stress ( σ max ) and then softens linearly from the crack opening width at σ max to zero stress at a critical crack opening width w 1 . Using commercial finite element software, we developed LCFMs for the SR and N3PB configurations. After fixing σ max with results from cylinder splitting tests and finding an initial Young's modulus ( E ) with unconfined compressive strength tests, we manually calibrate E and w 1 in the SR model against an envelope of experimental data. We apply the calibrated LCFM parameters in the N3PB geometry and compare the model against an envelope of N3PB experiments. For accurate simulation of fracture propagation, simulated off-crack stresses are high enough to require inclusion of damage. Different elastic moduli are needed in tension and compression. We hypothesize that the timing and location of shear versus extensional micromechanical failures control the qualitative macroscopic force-versus-displacement response in different tests. For accurate prediction, the LCFM requires a constant style of failure, which the SR configuration maintains until very late in deformation. The N3PB configuration does not maintain this constancy. To be broadly applicable between geometries and failure styles, the LCFM would require additional physics, possibly including elastoplastic damage in the bulk material and more complicated cohesive softening models.
Very weak crustal magnetic fields over the Syrtis Major volcanic complex imply almost total thermal demagnetization via magmatic intrusions over a large area less than ~4Ga. We fit a model of these intrusions and the resulting thermal demagnetization to maps of crustal magnetic field strength at 185km altitude. The best fits are most consistent with a "dog bone"-shaped region of intrusive material, elongated approximately north-south, with an area of ~350,000km 2 and an inferred volume of ~4-19×10 6 km 3 . Such a large volume is best explained by a long-lived mantle plume beneath the Syrtis edifice. A free-air gravity anomaly high over the Syrtis Major caldera is consistent with dense mafic residue remaining at depth following crystal fractionation that produced the silicic magmas seen at the surface. The elongation of this region is consistent with ascent and north-south emplacement of magma enabled by structures parallel to and associated with the preexisting Isidis impact basin.
Abstract Researchers have long noted the potential for shallow hydrothermal fluids to perturb near‐surface temperatures. Several investigators have made qualitative or semiquantitative use of elevated surface temperatures; for example, in snowfall calorimetry, or for tracing subsurface flow paths. However, a quantitative framework connecting surface temperature observations with conditions in the subsurface is currently lacking. Here, we model an area of shallow subsurface flow at Burgdorf Hot Springs, a rustic commercial resort in the Payette National Forest, north of McCall, ID, USA. We calibrate the model using shallow (0.2 m depth) ground temperature measurements and overburden thickness estimates from seismic refraction studies. The calibrated model predicts negligible loss of heat energy from the laterally migrating fluids at the Burgdorf site, in spite of the fact that thermal anomalies are observed in the unconsolidated near‐surface alluvium. Although elevated near‐surface ground temperatures are commonly assumed to result from locally high heat flux, this conflicts with the small apparent heat loss during lateral flow inferred at the Burgdorf site. We hypothesize an alternative explanation for near‐surface temperature anomalies that is only weakly dependent on heat flux, and more strongly controlled by the Biot number, a dimensionless parameter that compares the rate at which convection carries heat away from the land surface to the rate at which it is supplied by conduction to the interface.
Molecular doping of conjugated polymers causes bleaching of the neutral absorbance and results in new polaron absorbance transitions in the mid and near infrared. In this report the concentration dependent changes in the spectra for a series of molecularly doped diketopyrrolopyrrole (DPP) co-polymers with a series of ultra-high electron affinity cyanotrimethylenecyclopropane-based dopants is analyzed. With these strong dopants the polaron mole fraction (Θ) reaches saturation. Analysis of the full spectrum enables separation of neutral and polaron signals and quantification of the polaron mole fraction using a simple noninteracting site model. The peak ratios for both neutral and polaron peaks change systematically with increasing polaron mole fraction for all measured polymers. Analysis of the spectral changes indicates that the polaron mole fraction can be quantified to within 5%. While the total change in the absorbance spectrum with increasing polaron mole fraction is linear, the lowest energy polaron peak (P1) grows nonlinearly, which indicates increased polarization/delocalization. Molecular doping of polymers that form either H- or J-aggregates shows systematically different spectral changes in the vibronic peak ratios of the neutral spectra and provides insights into the polymer configuration at undoped sites in the film.
Due to the tremendous importance of electrochemical energy storage, numerous new materials and electrode architectures for batteries and supercapacitors have emerged in recent years. Correctly characterizing these systems requires considerable time, effort, and experience to ensure proper metrics are reported. Many new nanomaterials show electrochemical behavior somewhere in between conventional double-layer capacitor and battery electrode materials, making their characterization a non-straightforward task. It is understandable that some researchers may be misinformed about how to rigorously characterize their materials and devices, which can result in inflation of their reported data. Additionally, this is not uncommon considering the current state of the field nearly requires record breaking performance for publication in high-impact journals. Incorrect characterization and data reporting misleads both the materials and device development communities, and it is the shared responsibility of the community to follow rigorous reporting methodologies to ensure published results are reliable to ensure constructive progress. This tutorial aims to clarify the main causes of inaccurate data reporting and to give examples of how researchers should proceed. The best practices for measuring and reporting metrics such as capacitance, capacity, coulombic and energy efficiencies, electrochemical impedance, and the energy and power densities of capacitive and pseudocapacitive materials are discussed.
The electronic structures of charged point defects influence electrical and optical properties of semiconductors. Understanding the orbital interactions responsible for the electronic structures of defects therefore promotes a chemical intuition for defect-driven mechanisms in semiconductors. In this tutorial, we discuss a molecular orbital theory-based framework for understanding defect-induced electronic states based on local chemical interactions between the defect and the atoms surrounding the defect site. By using Mg 2 Si as a case study, we show how both the chemical interactions and molecular orbitals (i. e., wave functions) responsible for the charge state(s) of a defect can be understood from the bonding symmetry of the defect site. We anticipate that a chemistry-based perspective of charged defects will enrich defect engineering efforts for electronic and optical materials.
The lack of standards to identify oligomeric molecules is a challenge for the analysis of complex organic mixtures. High-resolution mass spectrometry—specifically, Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS)—offers new opportunities for analysis of oligomers with the assignment of formulae (C x H y O z ) to detected peaks. However, matching a specific structure to a given formula remains a challenge due to the inability of FT-ICR MS to distinguish between isomers. Additional separation techniques and other analyses (e.g., NMR spectroscopy) coupled with comparison of results to those from pure compounds is one route for assignment of MS peaks. Unfortunately, this strategy may be impractical for complete analysis of complex, heterogeneous samples. In this study we use computational stochastic generation of lignin oligomers to generate a molecular library for supporting the assignment of potential candidate structures to compounds detected during FT-ICR MS analysis. Furthermore, this approach may also be feasible for other macromolecules beyond lignin.
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Determination of Mytilus galloprovincialis larvae median effect concentration (EC50), of Cu in coastal marine waters by diffusive gradient in thin-films (DGT), has been shown to effectively reduce the need to consider dissolved organic carbon (DOC) concentration and quality. West coast marine and estuarine organisms’ chronic toxicity test protocol was used to validate previously modelled protective effects, afforded to highly sensitive marine larvae by ligand competition, in five diverse site waters. The results demonstrate significant narrowing of toxicological endpoints, where EC50s ranged from 3.74 – 6.67 µg/L as CDGT Cu versus 8.76 – 26.8 µg/L as CuDISS over a DOC range of 0.74 – 3.11 mg/L. Additionally, DOC quality (characterized by fluorescence excitation and emission matrices) indicates that the heterogeneity of competing Cu binding ligands, in common marine waters, minimizes the need for class determinations toward explaining the degree of protection, when assumptions in criterion maximum concentration (CMC) setting are conservative. A CDGT Cu EC50 of 3.7 µg/L, and corresponding CMC CDGT Cu of 1.8 µg/L, for universal application by regulatory compliance-monitoring programs, are proposed as a superior approach toward both integration of dynamic water quality over effective exposure periods and quantification of biologically-relevant trace Cu speciation and are demonstrated by in situ data.
Electrical geophysical methods, including electrical resistivity, time-domain induced polarization, and complex resistivity, have become commonly used to image the near subsurface. Here, we outline their utility for time-lapse imaging of hydrological, geochemical, and biogeochemical processes, focusing on new instrumentation, processing, and analysis techniques specific to monitoring. We review data collection procedures, parameters measured, and petrophysical relationships and then outline the state of the science with respect to inversion methodologies, including coupled inversion. We conclude by highlighting recent research focused on innovative applications of time-lapse imaging in hydrology, biology, ecology, and geochemistry, among other areas of interest.
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This paper presents the measurement of fiducial and differential cross sections for both the inclusive and electroweak production of a same-sign W-boson pair in association with two jets (W ± W ± jj) using 139 fb –1 of proton-proton collision data recorded at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV by the ATLAS detector at the Large Hadron Collider. The analysis is performed by selecting two same-charge leptons, electron or muon, and at least two jets with large invariant mass and a large rapidity difference. The measured fiducial cross sections for electroweak and inclusive W ± W ± jj production are 2.92 ± 0.22 (stat.) ± 0.19 (syst.) fb and 3.38 ± 0.22 (stat.) ± 0.19 (syst.) fb, respectively, in agreement with Standard Model predictions. The measurements are used to constrain anomalous quartic gauge couplings by extracting 95% confidence level intervals on dimension-8 operators. A search for doubly charged Higgs bosons H ±± that are produced in vector-boson fusion processes and decay into a same-sign W boson pair is performed. The largest deviation from the Standard Model occurs for an H ±± mass near 450 GeV, with a global significance of 2.5 standard deviations.
Precision measurements of Higgs boson differential production cross sections are a key tool to probe the properties of the Higgs boson and test the standard model. New physics can affect both Higgs boson production and decay, leading to deviations from the distributions that are expected in the standard model. In this paper, combined measurements of differential spectra in a fiducial region matching the experimental selections are performed, based on analyses of four Higgs boson decay channels (γγ, ZZ$^{(*)}$, WW$^{(*)}$, and ττ) using proton-proton collision data recorded with the CMS detector at $ \sqrt{s}=13 $ TeV, corresponding to an integrated luminosity of 138 fb$^{−1}$. The differential measurements are extrapolated to the full phase space and combined to provide the differential spectra. A measurement of the total Higgs boson production cross section is also performed using the γγ and ZZ decay channels, with a result of $ {53.4}_{-2.9}^{+2.9}{\left(\textrm{stat}\right)}_{-1.8}^{+1.9}\left(\textrm{syst}\right) $ pb, consistent with the standard model prediction of 55.6 ± 2.5 pb. The fiducial measurements are used to compute limits on Higgs boson couplings using the κ-framework and the SM effective field theory.[graphic not available: see fulltext]