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At least 1,333 records · Page 74

Combining Earth System Modeling and Machine Learning to Investigate Volcanic Sulfate Deposition in Polar Ice Cores

Volcanic eruptions emit large amounts of sulfur dioxide (SO2), water, and other chemicals into the atmosphere, both in the troposphere and the stratosphere. Most of the SO2 is converted to sulfate aerosol, which is eventually deposited following long-range transport. The deposits from large eruptions are potentially detectable in ice cores, but there are many cases in which sulfate layers have not been linked to their source volcanoes. As volcanoes can act as significant shocks to the global climate system, we are interested in locating these eruptions in order to increase understanding of the volcanic record. To narrow down the search, we performed 140 simulations of volcanic eruptions using the GISS ModelE Earth system model. We varied the latitude, longitude, Julian day, plume top, plume bottom, and injected SO2 and H2O amounts using a Latin hypercube sampling approach, and analyzed correlations between these parameters and sulfate depositions at ice core sites in Antarctica and Greenland. Using machine learning and parameter estimation, we generated probability distributions and maximum likelihood estimates for the parameters given sulfate deposition data, which can predict latitude with some skill. We find that the volcano latitude and SO2 content are best correlated with sulfate depositions at each pole, while longitude, Julian day, and H2O have small or insignificant effects. Plume altitude and thickness are important because they determine how much of the SO2 is injected into the stratosphere, which has implications for sulfur transport and lifetimes.

Earth system models↗

Characterization of Candidate Materials for Remote Recession Measurements of Ablative Heat Shield Materials

A method of remotely measuring surface recession of a material sample in a plasma flow through emission spectroscopy of the post shock layer was characterized through experiments in the NASA Langley HYMETS arc jet facility. Different methods for delivering the seed products into the Phenolic Impregnated Carbon Ablator (PICA) material samples were investigated. Three samples were produced by seeding the PICA material with combinations of Al, Si, HfO2, VB2, Al2O3, SiO2, TiC, HfC, NaCl, and MgCl2 through infusing seed materials into a core of PICA, or through encapsulating seed material in an epoxy disk, mechanically bonding the disk to a PICA sample. The PICA samples seeded with the candidate tracers were then tested at surface temperatures near 2400 K under low pressure air plasma. The emission of Al, Ti, V, Na, and Mg in the post-shock layer was observed in the UV with a high resolution imaging spectrometer viewing the whole stagnation line from the side, and from UV to NIR with a fiber-coupled miniaturized spectrometer observing the sample surface in the wavelength range from 200 nm to 1,100 nm from the front through a collimator. Al, Na, and Mg were found to be emitting in the post-shock spectra even before the recession reached the seeding depth - therefore possibly characterizing the pyrolysis process rather than the recession itself. The appearance of Ti and V emission in the spectra was well correlated with the actual recession which was monitored through a video of the front surface of the sample. The applicability of a seed material as an indicator for recession appears to be related to the melting temperature of the seed material. Future parametric studies will be carried out in low power plasma facilities at the University of Kentucky.

Butler, Bradley D.↗

Applications of Machine Learning to Predicting Core-collapse Supernova Explosion Outcomes

Most existing criteria derived from progenitor properties of core-collapse supernovae are not very accurate in predicting explosion outcomes. We present a novel look at identifying the explosion outcome of core-collapse supernovae using a machine-learning approach. Informed by a sample of 100 2D axisymmetric supernova simulations evolved with F ornax , we train and evaluate a random forest classifier as an explosion predictor. Furthermore, we examine physics-based feature sets including the compactness parameter, the Ertl condition, and a newly developed set that characterizes the silicon/oxygen interface. With over 1500 supernovae progenitors from 9-27 M ⊙ , we additionally train an autoencoder to extract physics-agnostic features directly from the progenitor density profiles. We find that the density profiles alone contain meaningful information regarding their explodability. Both the silicon/oxygen and autoencoder features predict the explosion outcome with ≈90% accuracy. In anticipation of much larger multidimensional simulation sets, we identify future directions in which machine-learning applications will be useful beyond the explosion outcome prediction.

79 ASTRONOMY AND ASTROPHYSICS↗

Petrologic profile of Apollo 16 regolith at Station 4

The Apollo 16 double drive tube core 64001/2 (total depth about 60 cm) consists of four petrologic units based on the modal abundance of lithic, monomineralic, and other particles in the 20-500 micron size range of samples from 12 levels. Variation in the abundance of particles derived directly from bedrocks is low and the core soils probably represent only one set of source rocks. The chemical signature of an excessively high mare basalt component at about 42 cm correlates with an excess of regolith breccias, which may then be the physical carrier. The core soils as a whole show a systematic size-composition relationship that may be attributed to a large-scale macroscopic reworking and the consequent masking of any or all previous surface process related mixing event. However, on a much smaller scale (about 0.5 cm), individual soil layers seem to have evolved more via mixing than via in situ reworking.

Basu, A.↗

Host-specific and tissue-dependent orchestration of microbiome community structure in traditional rice paddy ecosystems

Abstract Background and aim Rice and duckweed are two monocotyledonous plants that naturally coexist in paddy fields. While the presence of duckweed in paddy fields significantly improves rice productivity, the interplay between soil microbes and the two plant hosts in this agroecosystem remains unexplored. Methods We compared the bacterial community structure between duckweed, rice and soil from multiple rice paddies. We also isolated bacteria from these communities and characterized their modes of bacterial colonization and plant growth-promotion using model plants. Results Our data indicate that host-specific and tissue-dependent factors reproducibly orchestrate the bacterial community structure associated with their plant hosts. This is corroborated by results from culture-dependent approaches in which the dominant genus Pantoea isolated from rice aerial tissues can strongly attach and colonize gnotobiotic duckweed in spite of the low representation of this bacterial genus in the natural duckweed microbiome. Our study identified a core of 254 bacterial taxa that are consistently found in all rice and duckweed tissue samples from rice paddy fields. Furthermore, characterizing auxin-producing bacteria isolates from both plant species identified potential plant growth-promoting bacteria that may improve growth for both duckweed and rice in paddy fields. Conclusions Results from this work provide evidence for the importance of the host tissue and species context in determining plant colonization by microbes in the paddy field system. The resources generated in this study could facilitate the agronomic deployment of microbes for more sustainable rice production.

Agriculture↗

Improved Sampling Algorithms in the Risk-Informed Safety Margin Characterization Toolkit

The RISMC approach is developing advanced set of methodologies and algorithms in order to perform Probabilistic Risk Analyses (PRAs). In contrast to classical PRA methods, which are based on Event-Tree and Fault-Tree methods, the RISMC approach largely employs system simulator codes applied to stochastic analysis tools. The basic idea is to randomly perturb (by employing sampling algorithms) timing and sequencing of events and internal parameters of the system codes (i.e., uncertain parameters) in order to estimate stochastic parameters such as core damage probability. This approach applied to complex systems such as nuclear power plants requires to perform a series of computationally expensive simulation runs given a large set of uncertain parameters. These types of analysis are affected by two issues. Firstly, the space of the possible solutions (a.k.a., the issue space or the response surface) can be sampled only very sparsely, and this precludes the ability to fully analyze the impact of uncertainties on the system dynamics. Secondly, large amounts of data are generated and tools to generate knowledge from such data sets are not yet available. This report focuses on the first issue and in particular employs novel methods that optimize the information generated by the sampling process by sampling unexplored and risk-significant regions of the issue space: adaptive (smart) sampling algorithms. They infer system response from surrogate models constructed from existing samples and predict the most relevant location of the next sample. It is therefore possible to understand features of the issue space with a small number of carefully selected samples. In this report, we will present how it is possible to perform adaptive sampling using the RISMC toolkit and highlight the advantages compared to more classical sampling approaches such Monte-Carlo. We will employ RAVEN to perform such statistical analyses using both analytical cases but also another RISMC code: RELAP-7.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

CONSTRAINING INTERMEDIATE-MASS BLACK HOLES IN GLOBULAR CLUSTERS

Decades after the first predictions of intermediate-mass black holes (IMBHs) in globular clusters (GCs) there is still no unambiguous observational evidence for their existence. The most promising signatures for IMBHs are found in the cores of GCs, where the evidence now comes from the stellar velocity distribution, the surface density profile, and, for very deep observations, the mass-segregation profile near the cluster center. However, interpretation of the data, and, in particular, constraints on central IMBH masses, require the use of detailed cluster dynamical models. Here we present results from Monte Carlo cluster simulations of GCs that harbor IMBHs. As an example of application, we compare velocity dispersion, surface brightness and mass-segregation profiles with observations of the GC M10, and constrain the mass of a possible central IMBH in this cluster. We find that, although M10 does not seem to possess a cuspy surface density profile, the presence of an IMBH with a mass up to 0.75% of the total cluster mass, corresponding to about 600 M{sub Sun }, cannot be excluded. This is also in agreement with the surface brightness profile, although we find it to be less constraining, as it is dominated by the light of giants, causing it to fluctuate significantly. We also find that the mass-segregation profile cannot be used to discriminate between models with and without IMBH. The reason is that M10 is not yet dynamically evolved enough for the quenching of mass segregation to take effect. Finally, detecting a velocity dispersion cusp in clusters with central densities as low as in M10 is extremely challenging, and has to rely on only 20-40 bright stars. It is only when stars with masses down to 0.3 M{sub Sun} are included that the velocity cusp is sampled close enough to the IMBH for a significant increase above the core velocity dispersion to become detectable.

79 ASTRONOMY AND ASTROPHYSICS↗

Gouge formation and dilation impacts to flow during fracture shearing

We report flow in fractures is of critical importance to fluid flow in low-permeability shales, particularly when they restrict vertical migration from reservoirs. The Mt. Simon Sandstone is a target for geologic CO 2 sequestration and the overlying Eau Claire Formation is the sealing formation capping this reservoir. The lower Eau Claire, a primary barrier to upward migration of CO 2 from the Mt. Simon, is lithologically heterogenous with a mixture of sandstone and shale. We use a series of flow-through experiments on fractured samples from the Eau Claire to document the morphological changes taking place in the fracture and surrounding rock as it is sheared in a stepwise fashion. The samples were imaged using computed tomography after each shearing episode and flow resistance was calculated based on the pressure differential across each core. We found that gouge accumulations in the fracture plane led to specific instances of self-sealing behavior despite the fact that most samples increased in average fracture aperture and transmissivity. Gouge limited the increase or, in some cases, decreased flow through these samples. Fractures adjacent to shale-rich zones and concordant with bedding were more likely to show evidence of self-sealing, while increased sandstone content and fracture orientation perpendicular to bedding planes was more likely to result in fracture dilation and fracture permeability increases. Reactivation and shearing of vertical fractures in lithologically heterogenous caprocks is more likely to pose risks to long term CO 2 storage scenarios.

58 GEOSCIENCES↗

Preliminary Analysis of Damage to MPFDs Caused by Reactor Pulses

The need for next-generation, accident-tolerant fuels has generated significant interest in the restart of domestic fuels testing at the Transient Reactor Test (TREAT) facility. The TREAT reactor is designed to produce large, transient fluxes that replicate the effects of a wide variety of accident conditions on an irradiated fuel sample. Peak powers generated during short pulses approach 20 GW with a neutron flux of approximately 10{sup 17} n cm{sup -2} s{sup -1}. As part of the restart effort, new vehicle designs are being explored for sample irradiation, including the Static Environment Rodlet Transient Test Apparatus (SERTTA) and variants. As part of the SERTTA designs, micro-pocket fission detectors (MPFDs) are being explored for localized flux measurements before, during, and after transient operations. These detectors are also being considered as part of future, core-wide instrumentation for the TREAT reactor. However, the high fluxes associated with the pulses in the TREAT core present certain thermodynamic concerns given their intensity and the amount of energy they will release within the MPFDs within such a short amount of time. Assuming each fission that occurs in a MPFD results in a fission fragment depositing 85 MeV of energy in the substrate on average and each MPFD has 0.5 μg of natural uranium deposited on it, a 100 ms long pulse in the TREAT reactor at 1017 n cm{sup -2} s{sup -1} flux will produce approximately 4.6 x 10{sup 6} fissions in an MPFD. This pulse deposits 6.3 x 10{sup -5} J in the substrate over a 100 ms duration. That amount of energy is sufficient to melt roughly 33% of the Pt under the UO{sub 2} deposition or a circular spot with a diameter of approximately 860 μm. Of course, the above estimate makes a number of simplifying assumptions and ignores heat transfer, but does serve to illustrate the point that this rapid heating effect could be detrimental to the integrity and life of these in-core MPFDs. To study how these layers are affected by large transient neutron fluxes, five samples were prepared, pre-analyzed, and then subjected to a pulse in the central thimble of the Kansas State University TRIGA Mark II reactor to a peak power of 1.58 GW. After being allowed to decay to safer radiation levels, the sample substrates and coatings were inspected using scanning electron microscopy (SEM) to identify any changes to their surface morphology. Indeed, certain changes were found and are discussed in greater detail in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Structural and optical properties of core–shell Ag{sub 2}S/HgS nanostructures

Graphical abstract: - Highlights: • Core–shell Ag{sub 2}S/HgS nanostructures are successfully synthesized. • The particle size and the structure were confirmed through TEM images. • The absorbance analysis reveals red shift with increasing shell concentration. • A transition from TYPE 1 to TYPE 2 core–shell nanostructure is observed. - Abstract: Here we report on a two-step synthesis route for fabrication of core–shell Ag{sub 2}S/HgS nanostructures. Nanoscale Ag{sub 2}S semiconductors are prepared by a standard redox reaction using AgNO{sub 3} and CS{sub 2} as the reactants in PVP. HgS layers are developed on Ag{sub 2}S cores through S-S bonding at the interface separating the two systems. The properties of these core–shell nanostructures are studied via various spectroscopic and microscopic tools like UV–Vis absorption spectra, photoluminescence spectra, X-ray diffraction pattern and transmission electron microscopic images. Change in optical properties is observed while varying the shell thickness in the sample. A detailed study on the luminescence properties reveal transition from TYPE 1 to TYPE 2 core–shell nanostructures is observed with increasing shell thickness.

36 MATERIALS SCIENCE↗

Experimental development of low-frequency shear modulus and attenuation measurements in mated rock fractures: Shear mechanics due to asperity contact area changes with normal stress

Reservoir core measurements can help guide seismic monitoring of fluid-induced pressure variations in tight fractured reservoirs including those targeted for supercritical CO 2 injection. We present the first seismic-frequency ‘room-dry’ measurements of fracture specific shear stiffness, using artificially fractured standard granite samples with different degrees of mating, a well-mated tensile fracture from a dolomite reservoir core, as well as simple roughened polymethyl methacrylate (PMMA) surfaces. We have adapted a low-frequency (0.01 to 100 Hz) shear modulus and attenuation apparatus to explore the seismic signature of fractures and understand the mechanics of asperity contacts under a range of normal stress conditions. Our instrument is unique in its ability to measure at low normal stresses (0.5 – 20 MPa), simulating 'open' fractures in shallow or high fluid pressure reservoirs. The accuracy of our instrument is demonstrated by calibration and comparison to ultrasonic measurements and low-frequency direct shear measurements of intact samples from the literature. Pressure sensitive film was used to measure real contact area of the fracture surfaces. The fractured shear modulus for the majority of the samples shows an exponential dependence on real contact area. A simple numerical model, with one bonded circular asperity, predicts this behavior and matches the data for the simple PMMA surfaces. The rock surfaces reach their intact moduli at lower contact area than the model predicts, likely due to more complex geometry. Lastly, we apply our results to a Linear-Slip Interface Model to estimate reflection coefficients and calculate shear wave time delays due to the lower wave velocities through the fractured zone. We find that cross-well surveys could detect even well-mated hard rock fractures assuming the availability of high repeatability acquisition systems.

58 GEOSCIENCES↗

Elevated acetate concentrations in the rhizosphere of Spartina alterniflora and potential influences on sulfate reduction

Acetate is important in anaerobic metabolism of non-vegetated sediments but its role in salt marsh soils was not investigated thoroughly. Acetate concentrations, oxidation (C-14) and SO4(2-) reduction (S-35) were measured in S. alterniflora soils in NH and MA. Pore water from cores contained greater than 0.1 mM acetate and in some instances greater than 1.0 mM. Non-destructive samples contained less than 0.01 mM. Acetate was associated with roots and concentrations were highest during vegetative growth and varied with changes in plant physiology. Acetate turnover was very low whether whole core or slurry incubations were used. Radiotracers injected directly into soils yielded rates of SO4(2-) reduction and acetate oxidation not significantly different from core incubation techniques. Regardless of incubation method, acetate oxidation did not account for a significant percentage of SO4(2-) reduction. These results differ markedly from data for non-vegetated coastal sediments where acetate levels are low, oxidation rate constants are high and acetate oxidation rates greatly exceed rates of SO4(2-) reduction. The discrepancy between rates of acetate oxidation and SO4(2-) reduction in marsh soils may be due either to the utilization of substrates other than acetate by SO4(2-) reducers or artifacts associated with measurements of organic utilization by rhizosphere bacteria.

Hines, Mark E.↗

The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases

Class A β-lactamases are known for being able to rapidly gain broad spectrum catalytic efficiency against most β-lactamase inhibitor combinations as a result of elusively minor point mutations. The evolution in class A β-lactamases occurs through optimisation of their dynamic phenotypes at different timescales. At long-timescales, certain conformations are more catalytically permissive than others while at the short timescales, fine-grained optimisation of free energy barriers can improve efficiency in ligand processing by the active site. Free energy barriers, which define all coordinated movements, depend on the flexibility of the secondary structural elements. The most highly conserved residues in class A β-lactamases are hydrophobic nodes that stabilize the core. To assess how the stable hydrophobic core is linked to the structural dynamics of the active site, we carried out adaptively sampled molecular dynamics (MD) simulations in four representative class A β-lactamases (KPC-2, SME-1, TEM-1, and SHV-1). Using Markov State Models (MSM) and unsupervised deep learning, we show that the dynamics of the hydrophobic nodes is used as a metastable relay of kinetic information within the core and is coupled with the catalytically permissive conformation of the active site environment. Finally, our results collectively demonstrate that the class A enzymes described here, share several important dynamic similarities and the hydrophobic nodes comprise of an informative set of dynamic variables in representative class A β-lactamases.

59 BASIC BIOLOGICAL SCIENCES↗

Effects of Cavity Diameter on Acoustic Impedance in a Complex Acoustic Environment

This paper investigates the effects of cavity diameter on the acoustic performance of conventional perforate-over-honeycomb liners. This investigation is a follow up to a previous study where it was demonstrated that the cavity diameter has a relatively small effect on the acoustic impedance for core cavity diameters up to 2.0 inches. In the current study, liner concepts are exposed to a complex acoustic environment, where higher-order modes are present. Four liner configurations are explored in this investigation, which include two cavity cores of different cavity diameters combined with two facesheets. These configurations are tested in the Grazing Flow Impedance Tube (GFIT) at Mach 0.0, 0.3, and 0.5 at a source sound pressure level of 150 dB. A comparison of the acoustic performance of these samples suggests that the cavity diameter has a relatively small effect on the acoustic impedance for core cavity diameters up to 2.0 inches at these conditions. These configurations are exposed to a more complex acoustic environment (e.g., higher-order modes) in the Curved Duct Test Rig (CDTR) at Mach 0.0 and 0.3.

Brown, M. C.↗

Electronic environments in Ni{sub 3}Pb{sub 2}S{sub 2} (shandite) and its initial oxidation in air

Polycrystalline Ni{sub 3}Pb{sub 2}S{sub 2} (shandite) was synthesised as a non-porous ingot to enable representative surfaces prepared by fracture under UHV to be characterised by X-ray photoelectron spectroscopy (XPS) before and after exposure to air. For an unoxidised surface, the S 2p{sub 3/2} binding energy was found to be significantly lower than those reported previously for shandite itself and other sulfides having shandite structure, and consistent with the physical and chemical properties of the shandites. The core electron binding energies for the three constituent elements were in agreement with the formal oxidation state representation Ni{sup 0}{sub 3}Pb{sup II}{sub 2}S{sup −II}{sub 2}, analogous to that deduced previously for Ni{sub 3}Sn{sub 2}S{sub 2}. Shandite surfaces were found to oxidise rapidly when initially exposed to air under ambient conditions, and concomitant with the formation of the Ni–O and Pb–O species, to restructure to NiS- and PbS-like surface phases having S core electron binding energies no higher than those for shandite. - Graphical abstract: Shandite ingot fracture surface in sample holder. Display Omitted - Highlights: • Shandite synthesised as ingot so that fracture surfaces were representative of bulk. • Surfaces prepared by fracture in vacuum characterised by XPS. • S 2p{sub 3/2} binding energy in range expected and lower than reported previously. • Ni, Pb and S core electron binding energies consistent with Ni{sup 0}{sub 3}Pb{sup II}{sub 2}S{sup −II}{sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydrogen reduction mechanisms of ilmenite between 823 and 1353 K

In situ gravimetric measurements and microscopic examinations were used to determine the mechanisms of oxygen removal from synthetic ilmenite disks between 823 and 1353 K. Under a hydrogen atmosphere, iron was observed to form a layer of low porosity on the surface of samples early in the reduction. This created diffusion limitations for hydrogen to the reaction front and for the escape of water vapor. A shrinking core reduction model, modified to include the growth of this iron film, was capable of predicting the conversion-time relationships of ilmenite samples. An activation energy of 43.2 +/- 2.6 kcal/gmole was determined to be representative of reaction control over the temperature range 823-1023 K.

Briggs, R. A.↗

How successful were the lunar sampling tools: Implications for sampling Mars

Like the Mars Sample Return endeavor, the Apollo lunar-sample program began with definition of strategy for sample collection and of scientific requirements for sampling hardware design. Several lessons can be illustrated by specific tools. The evolution of drive tubes from narrow 2 cm diameter, thick-walled tubes (used on Apollo 11, 12 and 14) to 4 cm diameter, thin-walled tubes used on Apollo 15, 16, and 17) as an example of the improvements made possible during multiple missions. The original Apollo 11 drive tube was designed to work in fluffy soil; thus, only 50 percent of the relatively dense lunar soil was recovered, and the core was distorted. The final configuration resulted in nearly 100 pct recovery with little distortion. The surface samplers (Contact Soil Sampling Devices) were designed to collect the upper 100 micrometer or the upper 1 mm of soil. It was over 2 years after the mission before these particularly specific samplers were opened because interest in them waned. Both core tubes and surface samplers were difficult to open in the laboratory. The Apollo Lunar Sample Return Containers (ALSRCs) were constructed with one indium and 2 Viton seals. They were closed on the lunar surface. Interior container pressures measured upon return to the laboratory indicate that these seals were not reliable in the lunar environment. Also, choice of indium as a sealing material interfered with siderophile analyses of samples.

Allton, J. H.↗

PROPERTIES OF THE MOLECULAR CORES OF LOW LUMINOSITY OBJECTS

We present a survey toward 16 low luminosity objects (LLOs with an internal luminosity, L{sub int}, lower than 0.2 L{sub ⊙}) with N{sub 2}H{sup +} (1–0), N{sub 2}H{sup +} (3–2), N{sub 2}D{sup +} (3–2), HCO{sup +} (3–2), and HCN (3–2) using the Arizona Radio Observatory Kitt Peak 12 m Telescope and Submillimeter Telescope. Our goal is to probe the nature of these faint protostars which are believed to be either very low mass or extremely young protostars. We find that the N{sub 2}D{sup +}/N{sub 2}H{sup +} column density ratios of LLOs are similar to those of typical starless cores and Class 0 objects. The N{sub 2}D{sup +}/N{sub 2}H{sup +} column density ratios are relatively high (>0.05) for LLOs with kinetic temperatures less than 10 K in our sample. The distribution of N{sub 2}H{sup +} (1–0) line widths spreads between that of starless cores and young Class 0 objects. If we use the line width as a dynamic evolutionary indicator, LLOs are likely young Class 0 protostellar sources. We further use the optically thick tracers, HCO{sup +} (3–2) and HCN (3–2), to probe the infall signatures of our targets. We derive the asymmetry parameters from both lines and estimate the infall velocities by fitting the HCO{sup +} (3–2) spectra with two-layer models. As a result, we identify eight infall candidates based on the infall velocities and seven candidates have infall signatures supported by asymmetry parameters from at least one of HCO{sup +} (3–2) and HCN (3–2)

79 ASTRONOMY AND ASTROPHYSICS↗