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At least 1,495 records · Page 83

Data Analysis of the 2020 Central Idaho Mainshock-Aftershock Sequence

In an effort to inform the Senior Seismic Hazard Analysis Committee for the Idaho National Laboratory, we provide an improved aftershock catalog related to the March 31, 2020, Mw6.5 Stanley, Idaho earthquake from picks related to a temporary network of two real-time and 15 non-telemetered seismometers within the epicentral area. From the permanent and temporary (XP) real-time network, the USGS cataloged 1,946 aftershocks between April 1, 2020 and October 31, 2020. To improve aftershock location and magnitudes, we manually picked arrival times of P and S waves from off-line stations in the XP temporary network, generated a new crustal velocity model, and independently relocated each event using the HypoDD double-difference earthquake algorithm. We created our new velocity model from existing broadband and active source seismic campaign data that were acquired near the epicentral region prior to the 2020 earthquake. We compare arrival time differences, epicentral locations and depths between aftershocks recorded with the two catalogs. We find the addition of local stations provides tighter aftershock clustering that suggests an improved aftershock locations. To detect lower magnitude events, we employed deep learning. Our method solves common problems associated with detecting many events that have a low signal-to-noise ratio. From the machine learning database, we detected more than 74,000 aftershocks. Based on the number of identified earthquakes and Gutenberg-Richter relationships derived from the USGS catalog, we estimate that we have reduced the completion magnitude for the Stanley earthquake sequence to below M1 using this machine learning approach. We located each aftershock with our new velocity model. Our new velocity model and picks suggests aftershocks occurred mostly at shallower depths than assessed in the USGS catalog. These aftershocks align along two linear trends that suggest the activation of two unnamed primary faults.

58 GEOSCIENCES↗

Study of gas tungsten arc welding procedures for tantalum alloy T-111 (Ta-8 W-2Hf) plate

Methods of eliminating or reducing underbread cracking in multipass GTA welds in thick T-111 plate were studied. Single V butt welds prepared using experimental filler metal compositions and standard weld procedures resulted in only moderate success in reducing underbread cracking. Subsequent procedural changes incorporating manual welding, slower weld speeds, and three or fewer fill passes resulted in crack-free single V welds only when the filler metal was free of hafnium. The double V joint design with successive fill passes on opposite sides of the joint produced excellent welds. The quality of each weld was determined metallographically since the cracking, when present, was very slight and undetectable using standard NDT techniques. Tensile and bend tests were performed on selected weldments. The inherent filler metal strength and the joint geometry determined the strength of the weldment. Hardness and electron beam microprobe traverses were made on selected specimens with the result that significant filler metal-base metal dilution as well as hafnium segregation was detected. A tentative explanation of T-111 plate underbread cracking is presented based on the intrinsic effects of hafnium in the weldment.

Gold, R. E.↗

Feasibility of hydroxyl concentration measurements by laser-saturated fluorescence in high-pressure flames

The effect of pressure on the laser-saturated fluorescence method for measuring OH concentration in high-pressure flames is studied using calculations for the burned-gas region of a stoichiometric H2-O2 flame at 2000 K. A numerical model of the excitation dynamics of OH is developed to explore the validity of the balanced cross-rate model at higher pressures. It is shown that depopulation of the laser-coupled levels is sensitive to collisions which depopulate v-double-prime (VDP) = 0 and to rate coefficients for rotational transfer in the ground state which are smaller than those in the excited state. In particular, it is shown that the depopulation of VDP = 0, and hence the laser-coupled levels, depends on the probability of electronic quenching to vibrational levels for which VDP is greater than 0 and vibrational relaxation to VDP = 0.

Carter, Campbell D.↗

CASA Uno GPS orbit and baseline experiments

CASA Uno data from sites distributed in longitude from Australia to Europe have been used to determine orbits of the GPS satellites. The characteristics of the orbits determined from double difference phase have been evaluated through comparisons of two-week solutions with one-week solutions and by comparisons of predicted and estimated orbits. Evidence of unmodeled effects is demonstrated, particularly associated with the orbit planes that experience solar eclipse. The orbit accuracy has been assessed through the repeatability of unconstrained estimated baseline vectors ranging from 245 km to 5400 km. Both the baseline repeatability and the comparison with independent space geodetic methods give results at the level of 1-2 parts in 100,000,000. In addition, the Mojave/Owens Valley (245 km) and Kokee Park/Ft. Davis (5409 km) estimates agree with VLBI and SLR to better than 1 part in 100,000,000.

Schutz, B. E.↗

Retrieval of Total Ozone Amounts from Zenith-Sky Intensities in the Ultraviolet Region

A new method to determine the total ozone column from zenith-sky intensities in the ultraviolet region has been developed for the Shuttle Solar Backscatter Ultraviolet Spectrometer (SSBUV) operating at the NASA Goddard Space Flight Center. The total ozone column amounts are derived by comparing the ratio of measured intensities from three wavelengths with the equivalent ratios calculated by a radiative transfer model. The differences between the retrieved ozone column amounts and the collocated Brewer double monochromator are within 2% for the measurement period beginning in April 2001. The methodology, as well as the influences of the ozone profiles, aerosols, surface albedo, and the solar zenith angle on the retrieved total ozone amounts will be presented.

Bojkov, B. R.↗

Improving Peptide-Level Mass Spectrometry Analysis via Double Competition

A critical statistical task in the analysis of shotgun proteomics data involves controlling the false discovery rate (FDR) among the reported set of discoveries. This task is most commonly solved at the peptide-spectrum match (PSM) level by using target-decoy competition (TDC), in which a set of observed spectra are searched against a database containing a mixture of real (target) and decoy peptides. The PSM-level procedure can be adapted to the peptide level by selecting the top-scoring PSM per peptide prior to FDR estimation. Here, we investigate both PSM-level and peptide-level FDR control methods and come to two conclusions. First, although the TDC procedure is provably correct under certain assumptions, we observe that one of these assumptions - that incorrect PSMs are independent of one another - is frequently violated. Hence, we empirically demonstrate that TDC-based PSM-level FDR estimates can be liberally biased. Further, we propose that researchers avoid PSM-level results and instead focus on peptide-level analysis. Second, we investigate three ways to carry out peptide level TDC and show that the most common method ("PSM-only") offers the lowest statistical power in practice. The most powerful method, peptide-level FDR with PSM competition ("PSM-and-peptide"), carries out competition first at the PSM level and then again at the peptide level. In our experiments, this approach yields an average increase of 17% more discovered peptides at a1% FDR threshold relative to the PSM-only method.

59 BASIC BIOLOGICAL SCIENCES↗

Sequential Bond Dissociation Energies of Th + (CO) x , x = 3–6: Guided Ion Beam Collision-Induced Dissociation and Quantum Computational Studies

Collision-induced dissociation (CID) of [Th,xC,xO] + , x = 3–6, with Xe is performed using a guided ion beam tandem mass spectrometer (GIBMS). Products are formed exclusively by the loss of CO ligands. Analyses of the kinetic energy-dependent CID product cross sections yield bond dissociation energies (BDEs) of (CO) x–1 Th + –CO at 0 K as 1.09 ± 0.05, 0.82 ± 0.07, 0.63 ± 0.05, and 0.70 ± 0.05 eV, respectively. Different structures of [Th,xC,xO] + were explored using various electronic structure methods, and BDEs for CO ligand loss from precursor [Th,xC,xO] + complexes were computed. Both experimental and theoretical results corroborate that the structures of [Th,xC,xO] + , x = 3–6, formed experimentally are homoleptic thorium cation carbonyl complexes, Th + (CO) x . The nonmonotonic trend in experimental BDEs is reproduced theoretically, although ambiguities in the spin states of the x = 4–6 complexes (doublet or quartet) remain. BDEs calculated at the coupled cluster with single, double, and perturbative triple excitations (CCSD(T))/cc-pVXZ//B3LYP/cc-PVXZ (X = T and Q) level and a complete basis set (CBS) extrapolation agree reasonably well with the experimental values for all complexes. Thorium oxide ketenylidene carbonyl cations, OTh + CCO(CO) y , y = 1–4, were calculated to be the most stable structures of [Th,xC,xO] + , x = 3–6, respectively; however, these are not observed in our experiment. Potential energy profiles (PEPs) having either quartet or doublet spin calculated at the B3LYP/cc-pVQZ level suggest that the failure to observe OTh + CCO(CO) y , y = 1–4, is the result of a barrier corresponding to the C–C bond formation, making the formation of OTh + CCO(CO) y inaccessible kinetically under the present experimental conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach

Here, we investigate the use of orbital-optimized references in conjunction with single-reference coupled-cluster theory with single and double substitutions (CCSD) for the study of core excitations and ionizations of 18 small organic molecules, without the use of response theory or equation-of-motion (EOM) formalisms. Three schemes are employed to successfully address the convergence difficulties associated with the coupled-cluster equations, and the spin contamination resulting from the use of a spin symmetry-broken reference, in the case of excitations. In order to gauge the inherent potential of the methods studied, an effort is made to provide reasonable basis set limit estimates for the transition energies. Overall, we find that the two best-performing schemes studied here for ΔCCSD are capable of predicting excitation and ionization energies with errors comparable to experimental accuracies. The proposed ΔCCSD schemes reduces statistical errors against experimental excitation energies by more than a factor of two when compared to the frozen-core core–valence separated (FC-CVS) EOM-CCSD approach – a successful variant of EOM-CCSD tailored towards core excitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient analysis routines for single and double peaked Type 2 AGN spectra

Driven by the imminent need to rapidly process and classify millions of AGN spectra drawn from next generation astronomical facilities, we present a spectral fitting routine for Type 2 AGN spectra optimized for high volume processing, using the quasar spectral fitting library (qsfit). We analyse an optically selected sample of 813 luminous Type 2 AGN spectra at z < 0.83 from the Sloan Digital Sky Survey (SDSS) to qualify its performance. We report a median narrow line H α/H β Balmer decrement of 4.5 ± 0.8, alluding to the presence of dust in the narrow line region (NLR). We publish a specialized QSFIT fitting routine for high signal-to-noise ratio spectra and general fitting routine for double peaked Type 2 AGN spectra applied on a subsample of 45 spectra from our parent sample. We report a median red and blue peak velocity separation of 390 ± 60 kms −1 . No trend is found for red or blue peaks to exhibit systematically different luminosity or ionization properties. Emission line diagnostics show that the double peaks in all sources are illuminated by an AGN-powered ionizing continuum. Finally, we examine the morphology of host galaxies of our double peaked sample. We find double peaked Type 2 AGN reside in merging systems at a comparable frequency to single peaked AGN. This suggests that the double peaked AGN phenomenon is likely to have a bi-conical outflow origin in the majority of cases. We publicly release the code used for spectral analysis and produced catalogues used in this work.

79 ASTRONOMY AND ASTROPHYSICS↗

Radio jet refraction in galactic atmospheres with static pressure gradients

A theory of double radio sources which have a 'Z' or 'S' morphology is proposed, based on the refraction of radio jets in the extended atmosphere of an elliptical galaxy. The model describes a collimated jet of supersonic material bending self-consistently under the influence of external static pressure gradients. Gravity and magnetic fields are neglected in the simplest case except insofar as they determine the static pressure distribution. The calculation is a straightforward extension of a method used to calculate a ram-pressure model for twin radio trails ('C' morphology). It may also be described as a continuous-jet version of a buoyancy model proposed in 1973. The model has the added virtue of invoking a galactic atmosphere similar to those already indicated by X-ray measurements of some other radio galaxies and by models for the collimation of other radio jets.

Henriksen, R. N.↗

A UGO/EUTD Solution for the Scattering and Diffraction from Cubic Polynomial Strips

A uniform geometrical optics (UGO) and an extended uniform geometrical theory of diffraction (EUTD) solution is developed for the scattering and diffraction from perfectly conducting cubic polynomial strips. The new solution overcomes the difficulties of the classic GO/UTD solution near caustics and composite shadow boundaries. The approach for constructing the UGO/EUTD solution is based on a spatial domain physical optics (PO) radiation integral representation for the scattered field which is then reduced using a uniform asymptotic procedure. New uniform reflection, zero-curvature diffraction, and edge diffraction coefficients are derived and involve the ordinary and incomplete Airy integrals as canonical functions. Higher order effects such as double edge diffraction, edge-excited creeping waves, and whispering gallery modes are not examined in this work. The UGO/EUTD solution is very efficient and provides useful physical insight into the various scattering and diffraction processes. It is also universal in nature and can be used to effectively describe the scattered fields from flat, strictly concave or convex, and concave-convex boundaries containing edges. Its accuracy is confirmed via comparison with some reference moment method (MM) results.

Constantinides, Evagoras D.↗

Growth and differentiation of human lens epithelial cells in vitro on matrix

PURPOSE: To characterize the growth and maturation of nonimmortalized human lens epithelial (HLE) cells grown in vitro. METHODS: HLE cells, established from 18-week prenatal lenses, were maintained on bovine corneal endothelial (BCE) extracellular matrix (ECM) in medium supplemented with basic fibroblast growth factor (FGF-2). The identity, growth, and differentiation of the cultures were characterized by karyotyping, cell morphology, and growth kinetics studies, reverse transcription-polymerase chain reaction (RT-PCR), immunofluorescence, and Western blot analysis. RESULTS: HLE cells had a male, human diploid (2N = 46) karyotype. The population-doubling time of exponentially growing cells was 24 hours. After 15 days in culture, cell morphology changed, and lentoid formation was evident. Reverse transcription-polymerase chain reaction (RT-PCR) indicated expression of alphaA- and betaB2-crystallin, fibroblast growth factor receptor 1 (FGFR1), and major intrinsic protein (MIP26) in exponential growth. Western analyses of protein extracts show positive expression of three immunologically distinct classes of crystallin proteins (alphaA-, alphaB-, and betaB2-crystallin) with time in culture. By Western blot analysis, expression of p57(KIP2), a known marker of terminally differentiated fiber cells, was detectable in exponential cultures, and levels increased after confluence. MIP26 and gamma-crystallin protein expression was detected in confluent cultures, by using immunofluorescence, but not in exponentially growing cells. CONCLUSIONS: HLE cells can be maintained for up to 4 months on ECM derived from BCE cells in medium containing FGF-2. With time in culture, the cells demonstrate morphologic characteristics of, and express protein markers for, lens fiber cell differentiation. This in vitro model will be useful for investigations of radiation-induced cataractogenesis and other studies of lens toxicity.

Non-NASA Center↗

Low-Dead-Volume Inlet for Vacuum Chamber

Gas introduction from near-ambient pressures to high vacuum traditionally is accomplished either by multi-stage differential pumping that allows for very rapid response, or by a capillary method that allows for a simple, single-stage introduction, but which often has a delayed response. Another means to introduce the gas sample is to use the multi-stage design with only a single stage. This is accomplished by using a very small conductance limit. The problem with this method is that a small conductance limit will amplify issues associated with dead-volume. As a result, a high-vacuum gas inlet was developed with low dead-volume, allowing the use of a very low conductance limit interface. Gas flows through the ConFlat flange at a relatively high flow rate at orders of magnitude greater than through the conductance limit. The small flow goes through a conductance limit that is a double-sided ConFlat.

Naylor, Guy↗

Synergistic double-atom catalysts of metal-boron anchored on g-C 2 N for electrochemical nitrogen reduction: Mechanistic insight and catalyst screening

The rational design of a novel catalytic center with a sound basis remains both challenging and rewarding for the electrochemical reduction of N 2 (eNRR), which has provided a feasible route for achieving clean and sustainable NH 3 production under ambient conditions. Herein, using density functional theory calculations, we demonstrate that hybrid metal (M)-boron (B) double-atom catalysts (DACs) embedded in g-C 2 N substrate (M-B@C 2 N, M = 3d, 4d and 5d transition metals) can achieve both high catalytic activity and high selectivity in eNRR. The proposed M-B@C 2 N DACs have exhibited impressive feasibility and stability thanks to the resilient and robust C 2 N substrate with abundant pyridinic N atoms distributed among right-sized pore structures. Our results reveal that like the metal center, the embedded B atom can actively involve in Ntriple bondN bond activation via π*-backdonation mechanism concomitant with the substantial charge transfer to adsorbed *N 2 , leading to sizable Nsingle bondN bond elongation. Accordingly, both adsorption energy and Nsingle bondN bond length of *N 2 can be employed as catalytic descriptors for predicting eNRR activity in terms of the limiting potentials (UL). Using high-throughput screening method, we found that six M-B@C 2 N candidates have stood out as the outstanding electrocatalysts for driving eNRR, namely, M = Ti (U L = 0 V), Mo (U L = 0 V), Nb (U L = -0.04 V), W (U L = -0.23 V), Zr (U L = -0.26 V), V (U L = -0.28 V). The underlying origin is attributed to the balanced and constrained N-affinity of M-B dual site working in synergy, which can thus be used as one important guide of catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Importance of charge self-consistency in first-principles description of strongly correlated systems

First-principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first-principles approaches are used to better treat the correlations by solving a suitably chosen many-body Hamiltonian with a higher level theory. The success of such embedding theories, often referred to as second-principles, is commonly measured by the quality of self-energy Σ which is either a function of energy or momentum or both. However, Σ should, in principle, also modify the electronic eigenfunctions and thus change the real space charge distribution. While such practices are not prevalent, some works that use embedding techniques do take into account these effects. In such cases, choice of partitioning, of the parameters defining the correlated Hamiltonian, of double-counting corrections, and the adequacy of low-level Hamiltonian hosting the correlated subspace hinder a systematic and unambiguous understanding of such effects. Further, for a large variety of correlated systems, strong correlations are largely confined to the charge sector. Then an adequate nonlocal low-order theory is important, and the high-order local correlations embedding contributes become redundant. Here we study the impact of charge self-consistency within two example cases, TiSe 2 and CrBr 3 , and show how real space charge re-distribution due to correlation effects taken into account within a first-principles Green’s function-based many-body perturbative approach is key in driving qualitative changes to the final electronic structure of these materials.

36 MATERIALS SCIENCE↗

Constraining the destruction rate of K 40 in stellar nucleosynthesis through the study of the Ar 40 ( p , n ) K 40 reaction

Background: We present that K 40 plays a significant role in the radiogenic heating of Earth-like exoplanets, which can affect the development of a habitable environment on their surfaces. The initial amount of K 40 in the interior of these planets depends on the composition of the interstellar clouds from which they formed. Within this context, nuclear reactions that regulate the production of K 40 during stellar evolution can play a critical role. Purpose: In this study, we constrain for the first time the astrophysical reaction rate of K 40 ( n , p ) Ar 40 , which is responsible for the destruction of K 40 during stellar nucleosynthesis. We provide to the nuclear physics community high-resolution data on the cross section and angular distribution of the Ar 40 ( p , n ) K 40 reaction. These are important to various applications involving Ar 40 . The associated reaction rate of the Ar 40 ( p , n ) K 40 process addresses a reaction rate gap in the Joint Institute for Nuclear Astrophysics REACLIB database in the region of intermediate-mass isotopes. Methods: We performed differential cross-section measurements on the Ar 40 ( p , n ) K 40 reaction, for six energies in the center-of-mass system between 3.2 and 4.0 MeV and various angles between 0 ° and 135 ° . The experiment took place at the Edwards Accelerator Laboratory at Ohio University using the beam swinger target location and a standard neutron time-of-flight technique. We extracted total and partial cross sections by integrating the double differential cross sections we measured. Results: The total and partial cross sections varied with energy due to the contribution from isobaric analog states and Ericson type fluctuations. The energy-averaged neutron angular distributions were symmetrical relative to 90 ° . Based on the experimental data, local transmission coefficients were extracted and were used to calculate the astrophysical reaction rates of Ar 40 ( p , n ) K 40 and K 40 ( n , p ) Ar 40 reactions. The new rates were found to vary significantly from the theoretical rates in the REACLIB library. We implemented the new rates in network calculations to study nucleosynthesis via the slow neutron capture process, and we found that the produced abundance of K 40 is reduced by up to 10% compared to calculations with the library rates. At the same time, the above result removes a significant portion of the previous theoretical uncertainty on the K 40 yields from stellar evolution calculations. Conclusions: Our results support a destruction rate of K 40 in massive stars via the K 40 ( n , p ) Ar 40 reaction that is larger compared to previous estimates. The rate of K 40 destruction via the K 40 ( n , p ) Ar 40 reaction now has a dramatically reduced uncertainty based on our measurement. Lastly, this result directly affects the predicted stellar yields of K 40 from nucleosynthesis, which is a critical input parameter for the galactic chemical evolution models that are currently employed for the study of significant properties of exoplanets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The role of damage-softened material behavior in the fracture of composites and adhesives

The failure mechanism of polymer composites and adhesives with high strain in the zone near and ahead of the crack tip is investigated analytically, summarizing the findings of Ungsuwarungsri (1986). A double-cantilever-beam specimen with the nonlinear material confined to a thin strip between two wedge-loaded elastic beams is modeled as a beam on a nonlinear foundation; the two-point boundary-value problem for stationary and propagating cracks is solved numerically; and an FEM approach is applied to study the behavior of the nonlinear strip in detail. Typical results are presented in extensive graphs, and the accuracy and efficiency of the present method are shown to be superior to those of the Berry (1963) procedure.

Ungsuwarungsri, T.↗

Demonstration of How Manufacturing Innovations Challenge Conventional Structural Design

For almost 100 years, commercial aircraft have been fabricated using riveted aluminum alloy structures. Aside from refining aircraft designs for better aerodynamic efficiency, improving alloy compositions, and automating assembly steps, fuselage construction remains largely unchanged today. The intent of the lightweight metallic fuselage prototype undertaken in NASA’s Advanced Air Transport Technology project was to demonstrate innovative forming and joining processes that advance the design paradigm, i.e. achieve high-rate manufacturing and reduce assembly time/costs. Over the past decade, researchers at NASA Langley Research Center have evaluated the potential to modify the flow forming process to produce near-net shaped cylinders, integrally stiffened along the cylinder axis, for space launch vehicles. The production of integral stiffeners in a formed aluminum cylinder, the size of the Space Shuttle external tank, replaced machined thick plate and welding steps to eliminate > 500,000 pounds of machining chips and ~ 0.5 miles of welds. The flow forming method, called the Integrally Stiffened Cylinder (ISC) process, was successfully demonstrated up to the 10-foot diameter scale, which laid the groundwork for the current investigation of metallic fuselage structures. Using the ISC process as the basis for the re-design of a metallic fuselage eliminates hundreds of thousands of holes and rivets, while significantly reducing assembly time and crack initiation sites in the integral structure. However, the ISC process is not currently configured to fabricate circumferential ring frames for carrying fuselage internal pressure loads. Consequently, a trade study was performed to assess existing and advanced manufacturing processes, including additive manufacturing, forming, and welding. The approach with the lowest barriers to success, while simultaneously improving manufacturing time and cost, was to use formed ring frame segments attached to the ISC via Refill Friction Stir Spot Welding (RFSSW). The RFSSW process is five times faster than drilling, reaming, and riveting and provides similar mechanical performance. Finishing the fuselage structure with conventional windows, floor beams, and floor panels can then be accomplished using incumbent assembly methods, thereby maximizing reuse of existing infrastructure for aircraft construction. Structural analyses were performed to assess and optimize the geometric variables of integrated skin and stiffener configurations. A cost benefit and manufacturing rate analysis was also performed to compare against the current state-of-the-art for single aisle transport class aircraft. The resulting structure offers a weight reduction that rivals current graphite-epoxy composite fuselage structures. The projected manufacturing rate is close to double current metallic fuselages and six times faster than current composite manufacturing practices. The damage tolerance properties of a monocoque fuselage structure have yet to be assessed, but past integral airframe structural work has exploited geometric features to blunt or turn cracks. This concept offers promise that integrated structures can meet stringent aircraft durability specifications. An important benefit is that such aluminum fuselage structures may be inspected and repaired using established practices and existing expertise. Finally, pursuit of advanced manufacturing processes for future aluminum fuselages minimizes waste and the structure is 100% recyclable at the end-of-life for maximum sustainability.

aluminum↗