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At least 1,657 records · Page 92

Peculiarities of the phase transformation dynamics in bulk FeRh based alloys from magnetic and structural measurements

We analyze coexistence of antiferromagnetic and ferromagnetic phases in bulk iron-rhodium and its alloys with palladium, Fe 50,4 Rh 49,6 , Fe 49,7 Rh 47,4 Pd 2,9 and Fe 48,3 Rh 46,8 Pd 4,9 , using neutron diffraction, magnetization and scanning Hall probe imaging. Temperature dependencies of the lattice parameters, AFM and FM phase weight fractions, and Fe magnetic moment values were obtained on cooling and heating across the AFM-FM transition. Substantial thermomagnetic hysteresis for the phases’ weight fractions and a relatively narrow one for the unit cell volume has been observed on cooling-heating. Furthermore, a clear dependence of hysteretic behavior on Pd concentration has been traced. Additional direct magnetic measurements of the spatial distribution of the phase transition are acquired using scanning Hall probe microscopy, which reveals the length scale of the phase coexistence and the spatial progression of the transition in the presence of external magnetic field. Also, the magnetic phase diagram has been constructed for a series of Pd-doped FeRh alloys.

36 MATERIALS SCIENCE↗

ADVANCED OXIDATION: OXALATE DECOMPOSITION TESTING WITH OZONE

At the Savannah River Site (SRS), oxalic acid is currently considered the preferred agent for chemically cleaning the large underground Liquid Radioactive Waste Tanks. It is applied only in the final stages of emptying a tank when generally less than 5,000 kg of waste solids remain, and slurrying based removal methods are no-longer effective. The use of oxalic acid is preferred because of its combined dissolution and chelating properties, as well as the fact that corrosion to the carbon steel tank walls can be controlled. Although oxalic acid is the preferred agent, there are significant potential downstream impacts. Impacts include: (1) Degraded evaporator operation; (2) Resultant oxalate precipitates taking away critically needed operating volume; and (3) Eventual creation of significant volumes of additional feed to salt processing. As an alternative to dealing with the downstream impacts, oxalate decomposition using variations of ozone based Advanced Oxidation Process (AOP) were investigated. In general AOPs use ozone or peroxide and a catalyst to create hydroxyl radicals. Hydroxyl radicals have among the highest oxidation potentials, and are commonly used to decompose organics. Although oxalate is considered among the most difficult organic to decompose, the ability of hydroxyl radicals to decompose oxalate is considered to be well demonstrated. In addition, as AOPs are considered to be 'green' their use enables any net chemical additions to the waste to be minimized. In order to test the ability to decompose the oxalate and determine the decomposition rates, a test rig was designed, where 10 vol% ozone would be educted into a spent oxalic acid decomposition loop, with the loop maintained at 70 C and recirculated at 40L/min. Each of the spent oxalic acid streams would be created from three oxalic acid strikes of an F-area simulant (i.e., Purex = high Fe/Al concentration) and H-area simulant (i.e., H area modified Purex = high Al/Fe concentration) after nearing dissolution equilibrium, and then decomposed to {le} 100 Parts per Million (ppm) oxalate. Since AOP technology largely originated on using ultraviolet (UV) light as a primary catalyst, decomposition of the spent oxalic acid, well exposed to a medium pressure mercury vapor light was considered the benchmark. However, with multi-valent metals already contained in the feed, and maintenance of the UV light a concern; testing was conducted to evaluate the impact from removing the UV light. Using current AOP terminology, the test without the UV light would likely be considered an ozone based, dark, ferrioxalate type, decomposition process. Specifically, as part of the testing, the impacts from the following were investigated: (1) Importance of the UV light on the decomposition rates when decomposing 1 wt% spent oxalic acid; (2) Impact of increasing the oxalic acid strength from 1 to 2.5 wt% on the decomposition rates; and (3) For F-area testing, the advantage of increasing the spent oxalic acid flowrate from 40 L/min (liters/minute) to 50 L/min during decomposition of the 2.5 wt% spent oxalic acid. The results showed that removal of the UV light (from 1 wt% testing) slowed the decomposition rates in both the F & H testing. Specifically, for F-Area Strike 1, the time increased from about 6 hours to 8 hours. In H-Area, the impact was not as significant, with the time required for Strike 1 to be decomposed to less than 100 ppm increasing slightly, from 5.4 to 6.4 hours. For the spent 2.5 wt% oxalic acid decomposition tests (all) without the UV light, the F-area decompositions required approx. 10 to 13 hours, while the corresponding required H-Area decompositions times ranged from 10 to 21 hours. For the 2.5 wt% F-Area sludge, the increased availability of iron likely caused the increased decomposition rates compared to the 1 wt% oxalic acid based tests. In addition, for the F-testing, increasing the recirculation flow rates from 40 liter/minute to 50 liter/minute resulted in an increased decomposition rate, suggesting a better use of ozone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Uncertainties in the production of iron-group nuclides in core-collapse supernovae from Monte Carlo variations of reaction rates

Core-collapse supernovae, occurring at the end of massive star evolution, produce heavy elements, including those in the iron peak. Although the explosion mechanism is not yet fully understood, theoretical models can reproduce optical observations and observed elemental abundances. However, many nuclear reaction rates involved in explosive nucleosynthesis have large uncertainties, impacting the reliability of abundance predictions. To address this, we have previously developed a Monte Carlo-based nucleosynthesis code that accounts for reaction rate uncertainties and has been applied to nucleosynthesis processes beyond iron. Our framework is also well suited for studying explosive nucleosynthesis in supernovae. In this paper, we investigate 1D explosion models using the ‘PUSH method’ , focusing on progenitors with varying metallicities and initial masses around $M_{\rm ZAMS} = 16\, {\rm M}_{\odot }$. Detailed post-process nucleosynthesis calculations and Monte Carlo analyses are used to explore the effects of reaction rate uncertainties and to identify key reaction rates in explosive nucleosynthesis. We find that many reactions have little impact on the production of iron-group nuclei, as these elements are primarily synthesized in the nuclear statistical equilibrium. However, we identify a few ‘key reactions’ that significantly influence the production of radioactive nuclei, which may affect astrophysical observables. In particular, for the production of ${}^{44}{\rm Ti}$, we confirm that several traditionally studied nuclear reactions have a strong impact. However, determining a single reaction rate is insufficient to draw a definitive conclusion.

79 ASTRONOMY AND ASTROPHYSICS↗

The formation of iron aluminides on aluminum surface by using a Q-switched Nd:YAG laser

The formation and growth of Fe based aluminum diffusion layers at the Fe-Al interface have been investigated to improve the surface hardness. The diffusion of Fe into Al has been accomplished by focusing a Q-switched Nd:YAG laser on the modified surface. The variety of the layer depth is achieved based on the type of heating and quenching media. Microstructural characterization and mechanical properties of the modified surface were carried out via gas discharge spectrometer GDS, X-Ray diffraction (XRD), Scanning electron microscope (SEM), and Vickers Hardness tester. The results indicate that hardness at the interface of Fe-Al layer is increased. The optimum hardness achieved as 93 HV at corresponding critical energy density of 438 Jcm{sup −2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Iron-sulfur mineralogy of Mars - Magmatic evolution and chemical weathering products

Models are developed for the magmatic evolution and the oxidative weathering of sulfide minerals on Mars, based on petrogenetic associations among komatiitic rock types, Viking geochemical data, SNC meteorites, and terrestrial Fi-Ni deposits. The weathering model was tested by exposing komatiitic pyrrhotites and olivines to sulfuric acid solutions, with or without dissolved ferric iron, and identifying the reaction products by Moessbauer spectroscopy. The results suggest that, on Mars, acidic groundwater has induced oxidative weathering of pyrrhotite, yielding FeS2 and then FeOOH.

Burns, Roger G.↗

From Metal–Organic Frameworks to Single‐Atom Fe Implanted N‐doped Porous Carbons: Efficient Oxygen Reduction in Both Alkaline and Acidic Media

Abstract It remains highly desired but a great challenge to achieve atomically dispersed metals in high loadings for efficient catalysis. Now porphyrinic metal–organic frameworks (MOFs) have been synthesized based on a novel mixed‐ligand strategy to afford high‐content (1.76 wt %) single‐atom (SA) iron‐implanted N‐doped porous carbon (Fe SA ‐N‐C) via pyrolysis. Thanks to the single‐atom Fe sites, hierarchical pores, oriented mesochannels and high conductivity, the optimized Fe SA ‐N‐C exhibits excellent oxygen reduction activity and stability, surpassing almost all non‐noble‐metal catalysts and state‐of‐the‐art Pt/C, in both alkaline and more challenging acidic media. More far‐reaching, this MOF‐based mixed‐ligand strategy opens a novel avenue to the precise fabrication of efficient single‐atom catalysts.

Jiao, Long↗

From Metal-Organic Frameworks to Single-Atom Fe Implanted N-doped Porous Carbons: Efficient Oxygen Reduction in Both Alkaline and Acidic Media [From MOFs to Single Fe Atoms Implanted N-doped Porous Carbons: Efficient Oxygen Reduction in Both Alkaline and Acidic Media]

Here, it remains highly desired but a great challenge to achieve atomically dispersed metals in high loadings for efficient catalysis. Now porphyrinic metal–organic frameworks (MOFs) have been synthesized based on a novel mixed–ligand strategy to afford high–content (1.76 wt %) single–atom (SA) iron–implanted N–doped porous carbon (Fe SA –N–C) via pyrolysis. Thanks to the single–atom Fe sites, hierarchical pores, oriented mesochannels and high conductivity, the optimized Fe SA –N–C exhibits excellent oxygen reduction activity and stability, surpassing almost all non–noble–metal catalysts and state–of–the–art Pt/C, in both alkaline and more challenging acidic media. More far–reaching, this MOF–based mixed–ligand strategy opens a novel avenue to the precise fabrication of efficient single–atom catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of organic acids and sulfate on the biogeochemical properties of soil from urban subsurface environments

Urban subsurface environments are often different from undisturbed subsurface environments due to the impacts of human activities. For example, deterioration of underground infrastructure can introduce elevated levels of Ca, Fe, and heavy metals into subsurface soils and groundwater. Likewise, leakage from sewer systems can lead to contamination by organic C, N, S, and P. However, the impact of these organic and inorganic compounds on biogeochemical processes including microbial redox reactions, mineral transformations, and microbial community transitions in urban subsurface environments is poorly understood. Here we conducted a microcosm experiment with soil samples from an urban construction site to investigate the possible biotic and abiotic processes impacted when sulfate and acetate or lactate were introduced into an urban subsurface environment. In the top-layer soil (0-0.3 m) microcosms, which were highly alkaline (pH > 10), the major impact was on abiotic processes such as secondary mineral precipitation. In the mid-layer (2-3 m) soil microcosms, the rate of Fe(III)-reduction and the amount of Fe(II) produced were greatly impacted by the specific organic acid added, and sulfate-reduction was not observed until after Fe(III)-reduction was complete. Near the end of the incubation, some genera related to syntrophic acetate oxidation and methanogenesis were observed in the lactateamended microcosms. In the bottom-layer (7-8 m) soil microcosms, the rate of Fe(III)-reduction and the amount of Fe(II) produced were affected by the concentration of amended sulfate. Sulfate-reduction was concurrent with Fe(III)-reduction, suggesting that Fe(II) production was likely due to abiotic reduction of Fe(III) by sulfide produced by microbial sulfate reduction. The slightly acidic initial pH (~5.8) of the mid-soil system was a major factor controlling sequential microbial Fe(III) and sulfate reduction versus parallel Fe(III) and sulfate reduction in the bottom soil system, which had a neutral initial pH (~7.2). Finally, 16S rRNA gene-based community analysis revealed a variety of indigenous microbial groups including alkaliphiles, dissimilatory iron and sulfate reducers, syntrophes, and methanogens tightly coupled with, and impacted by, these complex abiotic and biogeochemical processes occurring in urban subsurface environments.

54 ENVIRONMENTAL SCIENCES↗

Chemolithoautotroph distributions across the subsurface of a convergent margin

Subducting oceanic crusts release fluids rich in biologically relevant compounds into the overriding plate, fueling subsurface chemolithoautotrophic ecosystems. To understand the impact of subsurface geochemistry on microbial communities, we collected fluid and sediments from 14 natural springs across a ~200 km transect across the Costa Rican convergent margin and performed shotgun metagenomics. The resulting 404 metagenome-assembled genomes (MAGs) cluster into geologically distinct regions based on MAG abundance patterns: outer forearc-only (25% of total relative abundance), forearc/arc-only (38% of total relative abundance), and delocalized (37% of total relative abundance) clusters. In the outer forearc, Thermodesulfovibrionia, Candidatus Bipolaricaulia, and Firmicutes have hydrogenotrophic sulfate reduction and Wood-Ljungdahl (WL) carbon fixation pathways. In the forearc/arc, Anaerolineae, Ca. Bipolaricaulia, and Thermodesulfovibrionia have sulfur oxidation, nitrogen cycling, microaerophilic respiration, and WL, while Aquificae have aerobic sulfur oxidation and reverse tricarboxylic acid carbon fixation pathway. Transformation-based canonical correspondence analysis shows that MAG distribution corresponds to concentrations of aluminum, iron, nickel, dissolved inorganic carbon, and phosphate. While delocalized MAGs appear surface-derived, the subsurface chemolithoautotrophic, metabolic, and taxonomic landscape varies by the availability of minerals/metals and volcanically derived inorganic carbon. Furthermore, the WL pathway persists across all samples, suggesting that this versatile, energy-efficient carbon fixation pathway helps shape convergent margin subsurface ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

INO as atmospheric and magic baseline detector

We present a status report on the proposed India-based Neutrino Observatory (INO). We focus on the physics studies possible with an iron calorimeter detector (ICAL) at INO. Such a detector would make precision measurements of neutrino oscillation parameters with atmospheric neutrinos in the first phase with the possibility of acting as a far-end detector of a future neutrino factory or beta beam. This talk was given at the 12th International Workshop on Neutrino Factories, Super beams and Beta Beams, 2010 (Nufact10), in Oct 2010.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantified abundance of magnetofossils at the Paleocene–Eocene boundary from synchrotron-based transmission X-ray microscopy

The Paleocene–Eocene boundary (~55.8 million years ago) is marked by an abrupt negative carbon isotope excursion (CIE) that coincides with an oxygen isotope decrease interpreted as the Paleocene–Eocene thermal maximum. Biogenic magnetite (Fe 3 O 4 ) in the form of giant (micron-sized) spearhead-like and spindle-like magnetofossils, as well as nano-sized magnetotactic bacteria magnetosome chains, have been reported in clay-rich sediments in the New Jersey Atlantic Coastal Plain and were thought to account for the distinctive single-domain magnetic properties of these sediments. Uncalibrated strong field magnet extraction techniques have been typically used to provide material for scanning and transmission electron microscopic imaging of these magnetic particles, whose concentration in the natural sediment is thus difficult to quantify. In this study, we use a recently developed ultrahigh-resolution, synchrotron-based, full-field transmission X-ray microscope to study the iron-rich minerals within the clay sediment in their bulk state. We report we are able to estimate the total magnetization concentration of the giant biogenic magnetofossils to be only ~10% of whole sediment. Along with previous rock magnetic studies on the CIE clay, we suggest that most of the magnetite in the clay occurs as isolated, near-equidimensional nanoparticles, a suggestion that points to a nonbiogenic origin, such as comet impact plume condensates in what may be very rapidly deposited CIE clays.

58 GEOSCIENCES↗

A first principles analysis of potential-dependent structural evolution of active sites in Fe-N-C catalysts

Fe-N-C (iron–nitrogen–carbon) electrocatalysts have emerged as potential alternatives to precious metal-based materials for the oxygen reduction reaction (ORR). However, the structure of these materials under electrochemical conditions is not well understood, and their poor stability in acidic environments poses a formidable challenge for successful adoption in commercial fuel cells. To provide molecular-level insights into these complex phenomena, we combine periodic density functional theory (DFT) calculations, exhaustive treatment of coadsorption effects for ORR reaction intermediates, including O and OH, and comprehensive analysis of solvation stabilization effects to construct voltage-dependent ab initio thermodynamic phase diagrams that describe the in situ structure of the active sites. These structures are further linked to activity and stability descriptors that can be compared with experimental parameters such as the half-wave potential for ORR and the onset potential for carbon corrosion and CO 2 evolution. The results indicate that pyridinic Fe sites at zigzag carbon edges, as well as other edge sites, exhibit high activity for ORR compared to sites in the bulk. However, edges neighboring the active sites are prone to instability via overoxidation and consequent site loss. The results suggest that it could be beneficial to synthesize Fe-N-C catalysts with small sizes and large perimeter edge lengths to enhance ORR activity, while voltage fluctuations should be limited during fuel cell operation to prevent carbon corrosion of overoxidized edges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparative genomics in acid mine drainage biofilm communities reveals metabolic and structural differentiation of co-occurring archaea

Background: Metal sulfide mineral dissolution during bioleaching and acid mine drainage (AMD) formation creates an environment that is inhospitable to most life. Despite dominance by a small number of bacteria, AMD microbial biofilm communities contain a notable variety of coexisting and closely related Euryarchaea, most of which have defied cultivation efforts. For this reason, we used metagenomics to analyze variation in gene content that may contribute to niche differentiation among co-occurring AMD archaea. Our analyses targeted members of the Thermoplasmatales and related archaea. These results greatly expand genomic information available for this archaeal order. Results: We reconstructed near-complete genomes for uncultivated, relatively low abundance organisms A-, E-, and Gplasma, members of Thermoplasmatales order, and for a novel organism, Iplasma. Genomic analyses of these organisms, as well as Ferroplasma type I and II, reveal that all are facultative aerobic heterotrophs with the ability to use many of the same carbon substrates, including methanol. Most of the genomes share genes for toxic metal resistance and surface-layer production. Only Aplasma and Eplasma have a full suite of flagellar genes whereas all but the Ferroplasma spp. have genes for pili production. Cryogenic-electron microscopy (cryo-EM) and tomography (cryo-ET) strengthen these metagenomics-based ultrastructural predictions. Notably, only Aplasma, Gplasma and the Ferroplasma spp. have predicted iron oxidation genes and Eplasma and Iplasma lack most genes for cobalamin, valine, (iso)leucine and histidine synthesis. Conclusion: The Thermoplasmatales AMD archaea share a large number of metabolic capabilities. All of the uncultivated organisms studied here (A-, E-, G-, and Iplasma) are metabolically very similar to characterized Ferroplasma spp., differentiating themselves mainly in their genetic capabilities for biosynthesis, motility, and possibly iron oxidation. These results indicate that subtle, but important genomic differences, coupled with unknown differences in gene expression, distinguish these organisms enough to allow for co-existence. Overall this study reveals shared features of organisms from the Thermoplasmatales lineage and provides new insights into the functioning of AMD communities.

59 BASIC BIOLOGICAL SCIENCES↗

Large scale SiPM testing for the Cosmic Muon Veto detector

A Cosmic Muon Veto (CMV) detector using extruded plastic scintillators is being built around the mini-Iron Calorimeter (mini-ICAL) detector at the transit campus of the India based Neutrino Observatory, Madurai. The extruded plastic scintillators will be embedded with wavelength shifting (WLS) fibres to absorb scintillating photons and propgate the re-emitted photons to the silicon-photomultipliers for the electronic signals. The CMV detector will require 760 extruded plastic scintillators to shield the mini-ICAL detector, and will require 3040 SiPMs for the readout. The design goal for the cosmic muon veto efficiency of the CMV is $>$99.99\% and fake veto rate less than 10$^{-5}$. Hence, every SiPM used in the detector needs to be characterised to satisfy the design goal of the CMV. For this, a large-scale testing system was developed, using an LED driver, to measure the gain and noise rate of each SiPM, and thus determine it's breakdown voltage ($V_{br}$) and optimum operating overvoltage ($V_{ov}$).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Mercury - Internal structure and thermal evolution

Mercury's thermal evolution and internal structure are modeled based on the planet's gross physical properties (which imply a high metallic iron content) and predictions for its chemistry made from the Lewis-Cameron model of condensation of the primitive solar nebula (which implies that Mercury may be composed only of those materials that condensed at temperatures near that of metallic iron condensation in the cooling nebula). Various heat sources, initial temperatures, and thermal conductivities are considered for a homogeneous model and a differentiated two-layer model. Density distributions are calculated from the mean density and estimates of the present-day temperature. The moment of inertia and the hydrostatic value of the second degree harmonic coefficient of Mercury's gravity field are found for the differentiated and undifferentiated models. These results should be useful for preliminary interpretation of the Mariner 10 measurements of Mercury's gravitational field.

Siegfried, R. W., II↗

Low temperature phase transformations in the metallic phases of iron and stony-iron meteorites

The nickel content and the structure of kamacite and decomposed taenite (clear taenite 1, CT-1; the cloudy zone, CZ; and clear taenite 2, CT-2) in the metallic phases of meteorites were determined using X-ray microanalysis techniques in the AEM. The kamacite near the CT-1 interface was found to contain about 4 wt pct Ni. The CT-1 structure contains 51.4-45.6 wt pct Ni; it is ordered FeNi with the L1(0) superstructure. The CZ structure consists of two phases: a globular phase (ordered FeNi containing 50.9 wt pct Ni) and a surrounding honeycomb martensitic phase containing 11.7 wt pct Ni. The CT-2 was found in all of the iron meteorite groups studied and in the pallasites, but not in the mesosiderites. Based on the preliminary evidence, this region is believed to be ordered Fe3Ni. Possible mechanisms for the decomposition of taenite are discussed.

Reuter, K. B.↗