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At least 451 records · Page 25

Phosphate-Induced Immobilization of Uranium in Hanford Sediments

Phosphate can be added to subsurface environments to immobilize U(VI) contamination. The efficacy of immobilization depends on the site-specific groundwater chemistry and aquifer sediment properties. Batch and column experiments were performed with sediments from the Hanford 300 Area in Washington State and artificial groundwater prepared to emulate the conditions at the site. Batch experiments revealed enhanced U(VI) sorption with increasing phosphate addition. X-ray absorption spectroscopy measurements of samples from the batch experiments found that U(VI) was predominantly adsorbed at conditions relevant to the column experiments and most field sites (low U(VI) loadings, <25 μM), and U(VI) phosphate precipitation occurred only at high initial U(VI) (>25μM) and phosphate loadings. While batch experiments showed the transition of U(VI) uptake from adsorption to precipitation, the column study was more directly relevant to the subsurface environment because of the high solid:water ratio in the column and the advective flow of water. In column experiments, nearly six times more U(VI) was retained in sediments when phosphate-containing groundwater was introduced to U(VI)-loaded sediments than when the groundwater did not contain phosphate. This enhanced retention persisted for at least one month after cessation of phosphate addition to the influent fluid. Sequential extractions and laser-induced fluorescence spectroscopy of sediments from the columns suggested that the retained U(VI) was primarily in adsorbed forms. These results indicate that in situ remediation of groundwater by phosphate addition provides lasting benefit beyond the treatment period via enhanced U(VI) adsorption to sediments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automated Microbial Metabolism Laboratory

The Automated Microbial Metabolism Laboratory (AMML) 1971-1972 program involved the investigation of three separate life detection schemes. The first was a continued further development of the labeled release experiment. The possibility of chamber reuse without inbetween sterilization, to provide comparative biochemical information was tested. Findings show that individual substrates or concentrations of antimetabolites may be sequentially added to a single test chamber. The second detection system which was investigated for possible inclusion in the AMML package of assays, was nitrogen fixation as detected by acetylene reduction. Thirdly, a series of preliminary steps were taken to investigate the feasibility of detecting biopolymers in soil. A strategy for the safe return to Earth of a Mars sample prior to manned landings on Mars is outlined. The program assumes that the probability of indigenous life on Mars is unity and then broadly presents the procedures for acquisition and analysis of the Mars sample in a manner to satisfy the scientific community and the public that adequate safeguards are being taken.

Source record↗

Secondary Electron Emission Yields

The secondary electron emission (SEE) characteristics for a variety of spacecraft materials were determined under UHV conditions using a commercial double pass CMA which permits sequential Auger electron electron spectroscopic analysis of the surface. The transparent conductive coating indium tin oxide (ITO) was examined on Kapton and borosilicate glass and indium oxide on FED Teflon. The total SEE coefficient ranges from 2.5 to 2.6 on as-received surfaces and from 1.5 to 1.6 on Ar(+) sputtered surfaces with 5 nm removed. A cylindrical sample carousel provides normal incidence of the primary beam as well as a multiple Faraday cup measurement of the approximately nA beam currents. Total and true secondary yields are obtained from target current measurements with biasing of the carousel. A primary beam pulsed mode to reduce electron beam dosage and minimize charging of insulating coatings was applied to Mg/F2 coated solar cell covers. Electron beam effects on ITO were found quite important at the current densities necessary to do Auger studies.

Krainsky, I.↗

Titanium isotope systematics of refractory inclusions: Echoes of molecular cloud heterogeneity

Calcium-aluminum-rich inclusions (CAIs) are highly refractory objects found in different chondrite groups and represent some of the oldest known solids of the Solar System. As such, CAIs provide key information regarding the conditions prevailing in the solar protoplanetary disk as well as subsequent mixing and transport processes. Many studies have investigated CAIs for their isotopic compositions and reported nucleosynthetic isotope anomalies in numerous elements, which are typically explained by the variable incorporation of isotopically highly anomalous presolar phases. However, with the exception of 54 Cr-enriched nanospinels, the exact presolar phases responsible for the isotopic heterogeneities are yet to be identified. To address this issue, we here present in-situ Ti isotopic analyses obtained on a diverse set of CAIs from various CV3 chondrites. In this work, the in-situ measurements were performed by targeting individual mineral phases of 15 CAIs with laser-ablation mass spectrometry and indicate significant inter- and intra-CAI isotopic heterogeneity in the neutron-rich isotope 50 Ti. This is particularly pronounced for primitive fine-grained CAIs, whereas coarse-grained CAIs, which have been subject to melting, exhibit smaller degrees of Ti isotopic heterogeneity. To further investigate this Ti isotopic heterogeneity, we additionally obtained Ti isotopic compositions of sequential acid leachates from two fine-grained and two coarse-grained CAIs derived from CV3 chondrites. In contrast to potential expectations from the first part of the study, we do not observe any significant intra-CAI Ti isotopic heterogeneity between the different leaching steps. The lack of intra-CAI Ti isotopic heterogeneity in the acid leachate samples of this study likely reflects that the leaching procedure is unable to efficiently separate the carriers of isotopically anomalous Ti in CAIs. By comparing the bulk CAI Ti isotope compositions with Ti isotope data for hibonite-rich objects from the literature, we find that the range of Ti isotope compositions recorded by CAIs from various chondrite groups can be accounted for by the averaging of hibonite grains. In turn, the variable Ti isotope compositions of hibonite grains can be explained by the averaging of isotopically diverse presolar grains present in the Sun’s parental molecular cloud. This effect of averaging is statistically supported by the central limit theorem, and the concept has the potential to be useful for other isotopic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The star-forming history of the young cluster NGC 2264

UBVRI H-alpha photographic photometry was obtained for a sample of low-mass stars in the young open cluster NGC 2264 in order to investigate the star-forming history of this region. A theoretical H-R diagram was constructed for the sample of probable cluster members. Isochrones and evolutionary tracks were adopted from Cohen and Kuhi (1979). Evidence for a significant age spread in the cluster was found amounting to over ten million yr. In addition, the derived star formation rate as a function of stellar mass suggests that the principal star-forming mass range in NGC 2264 has proceeded sequentially in time from the lowest to the highest masses. The low-mass cluster stars were the first cluster members to form in significant numbers, although their present birth rate is much lower now than it was about ten million yr ago. The star-formation rate has risen to a peak at successively higher masses and then declined.

Adams, M. T.↗

Exabiome: Advancing Microbial Science through Exascale Computing

The Exabiome project seeks to improve the understanding of microbiomes through the development of methods for accelerating metagenomic science using exascale computing. This article gives an overview of scientific impact of the three components of the project: metagenome assembly, protein family detection, and comparative analysis of metagenomes. Exabiome developed MetaHipMer, the only metagenome assembler capable of scaling to full exascale systems. MetaHipMer has enabled ground-breaking assemblies on the Frontier supercomputer, with many scientific benefits, such as the discovery of rare species and viral genomes. To investigate protein families, Exabiome developed two exascale tools, PASTIS and HipMCL. Together, these can utilize exascale resources to understand the functional diversity of billions of dark matter proteins and novel protein families. For comparative analysis, Exabiome developed kmerprof, a tool that can be used to compare huge metagenomes for many different scientific purposes, for example, grouping human microbiomes according to body location.

59 BASIC BIOLOGICAL SCIENCES↗

Gravity wave vertical energy flux at 95 km

A three-field photometer (3FP) located at Mt. Torrens near Adelaide, is capable of monitoring different airglow emissions from three spaced fields in the sky. A wheel containing up to six different narrow bandpass interference filters can be rotated, allowing each of the filters to be sequentially placed into each of the three fields. The airglow emission of interest is the 557.7 nm line which has an intensity maximum at 95 km. Each circular field of view is located at the apexes of an equilateral triangle centered on zenith with diameters of 5 km and field separations of 13 km when projected to the 95-km level. The sampling period was 30 seconds and typical data lengths were between 7 and 8 hours. The analysis and results from the interaction of gravity waves on the 557.7 nm emission layer are derived using an atmospheric model similar to that proposed by Hines (1960) where the atmosphere is assumed isothermal and perturbations caused by gravity waves are small and adiabatic, therefore, resulting in linearized equations of motion. In the absence of waves, the atmosphere is also considered stationary. Thirteen nights of quality data from January 1983 to October 1984, covering all seasons, are used in this analysis.

Jacob, P. G.↗

Adaptive Stress Testing of Trajectory Predictions in Flight Management Systems

To find failure events and their likelihoods in flight-critical systems, we investigate the use of an advanced black-box stress testing approach called adaptive stress testing. We analyze a trajectory predictor from a developmental commercial flight management system which takes as input a collection of lateral waypoints and en-route environmental conditions. Our aim is to search for failure events relating to inconsistencies in the predicted lateral trajectories. The intention of this work is to find likely failures and report them back to the developers so they can address and potentially resolve shortcomings of the system before deployment. To improve search performance, this work extends the adaptive stress testing formulation to be applied more generally to sequential decision-making problems with episodic reward by collecting the state transitions during the search and evaluating at the end of the simulated rollout. We use a modified Monte Carlo tree search algorithm with progressive widening as our adversarial reinforcement learner. The performance is compared to direct Monte Carlo simulations and to the cross-entropy method as an alternative importance sampling baseline. The goal is to find potential problems otherwise not found by traditional requirements-based testing. Results indicate that our adaptive stress testing approach finds more failures and finds failures with higher likelihood relative to the baseline approaches.

adaptive stress testing↗

Delayed Alumina Scale Spallation on Rene'n5+y: Moisture Effects and Acoustic Emission

The single crystal superalloy Rene'N5 (with or without Y-doping and hydrogen annealing) was cyclically oxidized at 1150 C for 1000 hours. After considerable scale growth (>= 500 hours), even the adherent alumina scales formed on Y-doped samples exhibited delayed interfacial spallation during subsequent water immersion tests, performed up to one year after oxidation. Spallation was characterized by weight loss, the amount of spalled area, and acoustic emission response. Hydrogen annealing (prior to oxidation) reduced spallation both before and after immersion, but without measurably reducing the bulk sulfur content of the Y-doped alloys. The duration and frequency of sequential, co-located acoustic emission events implied an interfacial crack growth rate at least 10(exp -3) m/s, but possibly higher than 10(exp 2) m/s. This is much greater than classic moisture-assisted slow crack growth rates in bulk alumina (10(exp -6) to 10(exp -3) m/s), which may still have occurred undetected by acoustic emission. An alternative failure sequence is proposed: an incubation process for preferential moisture ingress leads to a local decrease in interfacial toughness, thus allowing fast fracture driven by stored strain energy.

Smialek, James L.↗

Tailoring plasticity mechanisms in compositionally graded hierarchical steels fabricated using additive manufacturing

Abstract While there exists in nature abundant examples of materials with site-specific gradients in microstructures and properties, engineers and designers have traditionally used monolithic materials with discrete properties. Now, however, additive manufacturing (AM) offers the possibility of creating structures that mimic some aspects of nature. One example that has attracted attention in the recent years is the hierarchical structure in bamboo. The hierarchical architecture in bamboo is characterized by spatial gradients in properties and microstructures and is well suited to accommodate and survive complex stress states, severe mechanical forces, and large deformations. While AM has been used routinely to fabricate functionally graded materials, this study distinguishes itself by leveraging AM and physical metallurgy concepts to trigger cascading deformation in a single sample. Specifically, we have been successful in using AM to fabricate steel with unique spatial hierarchies in structure and property to emulate the structure and deformation mechanisms in natural materials. This study shows an improvement in the strength and ductility of the nature-inspired “hierarchical steel” compared with conventional cast stainless steels. In situ characterization proves that this improvement is due to the sequential activation of multiple deformation mechanisms namely twinning, transformation-induced plasticity, and dislocation-based plasticity. While significantly higher strengths can be achieved by refining the chemical and processing technique, this study sets the stage to achieve the paradigm of using AM to fabricate structures which emulate the flexibility in mechanical properties of natural materials and are able to adapt to in-service conditions.

36 MATERIALS SCIENCE↗

Rare earth elements and radiogenic strontium isotopes in carbonate minerals reveal diagenetic influence in shales and limestones in the Appalachian Basin

Rare earth element (REE) signatures are often applied to interpret paleoenvironmental conditions in sedimentary basins, however the complicated diagenetic histories in dynamic depositional environments can affect interpretation of measured REE signatures. Prior studies on REE content in shales and limestones indicated that REE in specific mineral phases may provide unique information concerning diagenetic reactions occurring in sedimentary rocks during burial and compaction. Application of sequential extraction techniques to target REE signatures in specific mineral fractions may provide greater insight into the complex processes that occurred during diagenesis and catagenesis. Thus, using this technique, this study provides a detailed account for REE, 87 Sr/ 86 Sr, and δ 13 C in the carbonate fraction of the Marcellus Shale and adjacent formations in the Appalachian Basin. A suite of 49 rock samples collected from two cores recovered from Monongalia County, West Virginia, USA was analyzed. The results showed that the carbonate concretions in calcareous shales and carbonate cements in black shales were very distinct. The REE plus yttrium (REY) were more concentrated in the carbonate concretions than in the carbonate cements. The carbonate concretions displayed REY patterns that are closely similar to modern seawater, while MREE-enrichment was observed in the carbonate cements. Likewise, the 87 Sr/ 86 Sr values in the carbonate concretions were similar to those measured for unaltered Middle Devonian carbonates, while the 87 Sr/ 86 Sr in the carbonate cements were much more radiogenic. This observation indicates that the carbonate cement could have been inherited radiogenic 87 Sr expulsed from clays during illite-smectite transition. Overall, this study demonstrated two distinct processes involved with controlling the carbonate geochemistry within Appalachian Basin shales and limestones: one fraction displaying minimal diagenetic alteration relative to depositional conditions (carbonate concretions in calcareous shales and limestone carbonate in limestones), and another fraction displaying the evidence for extensive chemical alteration during illite-smectite transition and catagenesis (carbonate cements in black shales). Here, in addition, highly variable and significant enrichments of U and Mo demonstrate that the Union Spring member and the Lower Oatka Creek member of the Marcellus Shale in the southwestern Appalachian Basin (MSEEL site) were deposited under mainly anoxic environment whereas intermitted episodes of dysoxic to perhaps oxic conditions occurred during the deposition of the Upper Oatka Creek member.

58 GEOSCIENCES↗

Tunability of exchange bias in Ni@NiO core-shell nanoparticles obtained by sequential layer deposition

Films of magnetic Ni@NiO core-shell nanoparticles (NPs, core diameter d congruent to 12 nm, nominal shell thickness variable between 0 and 6.5 nm) obtained with sequential layer deposition were investigated, to gain insight into the relationships between shell thickness/morphology, core-shell interface, and magnetic properties. Different values of NiO shell thickness t(s) could be obtained while keeping the Ni core size fixed, at variance with conventional oxidation procedures where the oxide shell is grown at the expense of the core. Chemical composition, morphology of the as-produced samples and structural features of the Ni/NiO interface were investigated with x-ray photoelectron spectroscopy and microscopy (scanning electron microscopy, transmission electron microscopy) techniques, and related with results from magnetic measurements obtained with a superconducting quantum interference device. The effect of the shell thickness on the magnetic properties could be studied. The exchange bias (EB) field H-bias is small and almost constant for t(s) up to 1.6 nm; then it rapidly grows, with no sign of saturation. This behavior is clearly related to the morphology of the top NiO layer, and is mostly due to the thickness dependence of the NiO anisotropy constant. The ability to tune the EB effect by varying the thickness of the last NiO layer represents a step towards the rational design and synthesis of core-shell NPs with desired magnetic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics

In this Letter, we present a framework that combines machine learning potential (MLP) and metadynamics to investigate solid-solid phase transition. Here, based on the spectral descriptors and neural networks regression, we develop a scalable MLP model to warrant an accurate interpolation of the energy surface where two phases coexist. Applying it to the simulation of B4–B1 phase transition of GaN under 50 GPa with different model sizes, we observe sequential change of the phase transition mechanism from collective modes to nucleation and growths. When the size is at or below 128 000 atoms, the nucleation and growth appear to follow a preferred direction. At larger sizes, the nuclei occur at multiple sites simultaneously and grow to microstructures by passing the critical size. The observed change of the atomistic mechanism manifests the importance of statistical sampling with large system size in phase transition modeling.

36 MATERIALS SCIENCE↗

A sequential nonparametric pattern classification algorithm based on the Wald SPRT

A sequential nonparametric pattern classification procedure is presented. The method presented is an estimated version of the Wald sequential probability ratio test (SPRT). This method utilizes density function estimates, and the density estimate used is discussed, including a proof of convergence in probability of the estimate to the true density function. The classification procedure proposed makes use of the theory of order statistics, and estimates of the probabilities of misclassification are given. The procedure was tested on discriminating between two classes of Gaussian samples and on discriminating between two kinds of electroencephalogram (EEG) responses.

Poage, J. L.↗

Optical Analysis of Transparent Polymeric Material Exposed to Simulated Space Environment

Transparent polymeric materials are being designed and utilized as solar concentrating lenses for spacecraft power and propulsion systems. These polymeric lenses concentrate solar energy onto energy conversion devices such as solar cells and thermal energy systems. The conversion efficiency is directly related to the transmissivity of the polymeric lens. The Environmental Effects Group of the Marshall Space Flight Center's Materials, Processes, and Manufacturing Department exposed a variety of materials to a simulated space environment and evaluated them for an, change in optical transmission. These materials include Lexan(TM), polyethylene terephthalate (PET). several formulations of Tefzel(TM). and Teflon(TM), and silicone DC 93-500. Samples were exposed to a minimum of 1000 Equivalent Sun Hours (ESH) of near-UV radiation (250 - 400 nm wavelength). Data will be presented on materials exposed to charged particle radiation equivalent to a five-year dose in geosynchronous orbit. These exposures were performed in MSFC's Combined Environmental Effects Test Chamber, a unique facility with the capability to expose materials simultaneously or sequentially to protons, low-energy electrons, high-energy electrons, near UV radiation and vacuum UV radiation.Prolonged exposure to the space environment will decrease the polymer film's transmission and thus reduce the conversion efficiency. A method was developed to normalize the transmission loss and thus rank the materials according to their tolerance to space environmental exposure. Spectral results and the material ranking according to transmission loss are presented.

Edwards, David L.↗

Vacancy effects on the formation of helium and krypton cavities in 3-C-SiC irradiated and annealed at elevated temperatures

Polycrystalline 3C-SiC was sequentially irradiated at 400 and 750°C with 120 keV He 2+ and 4 MeV Kr 15+ ions to 10 17 and 41016 cm -2 , respectively. The Kr 15+ ions penetrated the entire depth of the He 2+ ion implantation region. Three areas of He 2+ , Kr 15+ and He 2+ + Kr 15+ ion implanted 3C-SiC were created through masked overlapping irradiations. The sample was subsequently annealed at 1600°C in vacuum and characterized using cross-sectional transmission electron microscopy and energy-dispersive x-ray spectroscopy. Compared to the He 2+ ion only implanted 3C-SiC, helium cavities in the He 2+ and Kr15+ co-implanted 3C-SiC had a smaller size but higher density. At 25 dpa, presence of He in the co-implanted 3C-SiC significantly promoted cavity growth; much smaller voids were formed in the Kr 15+ ion only irradiated 3C-SiC at the same dose. In addition, local Kr migration and trapping at cavities occurred, but long-range Kr diffusion in 3C-SiC was not observed up to 1600°C.

36 MATERIALS SCIENCE↗

Fast and Accurate Support Vector Machines on Large Scale Systems

Support Vector Machines (SVM) is a supervised Machine Learning and Data Mining (MLDM) algorithm, which has become ubiquitous largely due to its high accuracy and obliviousness to dimensionality. The objective of SVM is to find an optimal boundary --- also known as hyperplane --- which separates the samples (examples in a dataset) of different classes by a maximum margin. Usually, very few samples contribute to the definition of the boundary. However, existing parallel algorithms use the entire dataset for finding the boundary, which is sub-optimal for performance reasons. In this paper, we propose a novel distributed memory algorithm to eliminate the samples which do not contribute to the boundary definition in SVM. We propose several heuristics, which range from early (aggressive) to late (conservative) elimination of the samples, such that the overall time for generating the boundary is reduced considerably. In a few cases, a sample may be eliminated (shrunk) pre-emptively --- potentially resulting in an incorrect boundary. We propose a scalable approach to synchronize the necessary data structures such that the proposed algorithm maintains its accuracy. We consider the necessary trade-offs of single/multiple synchronization using in-depth time-space complexity analysis. We implement the proposed algorithm using MPI and compare it with libsvm--- de facto sequential SVM software --- which we enhance with OpenMP for multi-core/many-core parallelism. Our proposed approach shows excellent efficiency using up to 4096 processes on several large datasets such as UCI HIGGS Boson dataset and Offending URL dataset.

Vishnu, Abhinav↗

SequenceL: Automated Parallel Algorithms Derived from CSP-NT Computational Laws

With the introduction of new parallel architectures like the cell and multicore chips from IBM, Intel, AMD, and ARM, as well as the petascale processing available for highend computing, a larger number of programmers will need to write parallel codes. Adding the parallel control structure to the sequence, selection, and iterative control constructs increases the complexity of code development, which often results in increased development costs and decreased reliability. SequenceL is a high-level programming language that is, a programming language that is closer to a human s way of thinking than to a machine s. Historically, high-level languages have resulted in decreased development costs and increased reliability, at the expense of performance. In recent applications at JSC and in industry, SequenceL has demonstrated the usual advantages of high-level programming in terms of low cost and high reliability. SequenceL programs, however, have run at speeds typically comparable with, and in many cases faster than, their counterparts written in C and C++ when run on single-core processors. Moreover, SequenceL is able to generate parallel executables automatically for multicore hardware, gaining parallel speedups without any extra effort from the programmer beyond what is required to write the sequen tial/singlecore code. A SequenceL-to-C++ translator has been developed that automatically renders readable multithreaded C++ from a combination of a SequenceL program and sample data input. The SequenceL language is based on two fundamental computational laws, Consume-Simplify- Produce (CSP) and Normalize-Trans - pose (NT), which enable it to automate the creation of parallel algorithms from high-level code that has no annotations of parallelism whatsoever. In our anecdotal experience, SequenceL development has been in every case less costly than development of the same algorithm in sequential (that is, single-core, single process) C or C++, and an order of magnitude less costly than development of comparable parallel code. Moreover, SequenceL not only automatically parallelizes the code, but since it is based on CSP-NT, it is provably race free, thus eliminating the largest quality challenge the parallelized software developer faces.

Cooke, Daniel↗