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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Computational Modeling of Micrometastatic Breast Cancer Radiation Dose Response

Purpose: Prophylactic cranial irradiation (PCI) involves giving radiation to the entire brain with the goals of reducing the incidence of brain metastasis and improving overall survival. Experimentally, we have demonstrated that PCI prevents brain metastases in a breast cancer mouse model. We developed a computational model to expand on and aid in the interpretation of our experimental results. Methods and Materials: MATLAB was used to develop a computational model of brain metastasis and PCI in mice. Model input parameters were optimized such that the model output would match the experimental number of metastases per mouse from the unirradiated group. An independent in vivo–limiting dilution experiment was performed to validate the model. The effect of whole brain irradiation at different measurement points after tumor cells were injected was evaluated in terms of the incidence, number of metastases, and tumor burden and was then compared with the corresponding experimental data. Results: In the optimized model, the correlation between the number of metastases per mouse and the experimental fits was >95. Our attempt to validate the model with a limiting dilution assay produced 99.9% correlation with respect to the incidence of metastases. The model accurately predicted the effect of whole-brain irradiation given 3 weeks after cell injection but substantially underestimated its effect when delivered 5 days after cell injection. The model further demonstrated that delaying whole-brain irradiation until the development of gross disease introduces a dose threshold that must be reached before a reduction in incidence can be realized. Conclusions: Our computational model of mouse brain metastasis and PCI correlated strongly with our experiments with unirradiated mice. The results further suggest that early treatment of subclinical disease is more effective than irradiating established disease.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Climate change impact on residual contaminants under sustainable remediation

This study investigates the potential impact of climate change on residual contaminants in vadose zones and groundwater. We assume that the effect of climate changes can be represented by perturbations in the natural recharge through the aquifer system. We perform numerical modeling of unsaturated/saturated flow and transport and consider different performance metrics: contaminant concentrations at observation wells and contaminant export at the site's boundary. We evaluate the effect of increasing and decreasing recharge as well as the impact of potential failure of surface capping structures employed to immobilize vadose zone contaminants. Our approach is demonstrated in a real case study by simulating transport of non-reactive radioactive tritium at the U.S. Department of Energy's Savannah River Site. Results show that recharge changes significantly affect well concentrations: after an initial slight dilution we identify a significant concentration increase at different observation wells some years after the recharge increase and/or the cap failure, as a consequence of contaminants' mobilization. This effect is generally emphasized and occurs earlier as the recharge increases. Under decreased aquifers' recharge the concentration could slightly increase for some years, due to a decrease of dilution, depending on the magnitude of the negative recharge shift. We identify trigger levels of recharge above which the concentration/export breakthrough curves and the time of exceedance of the Maximum Contaminant Level for tritium are remarkably affected. Moreover, we observe that the contaminant export at the control plane, identified as the risk pathway to the downgradient population, may only be minimally affected by shifts in the natural recharge regime, except for some extreme cases. We conclude that more frequent sampling and in-situ monitoring near the source zone should be adopted to better explain concentrations' anomalies under changing climatic conditions. Moreover, the maintenance of the cap is critical not only to sequester residual contaminants in the vadose zone, but also to reduce the uncertainty associated with future precipitation changes. Finally, realistic flow and transport simulations achieved through proper calibration processes, rather than conservative modeling, should be adopted to identify non-trivial trade-offs which enable better allocation of resources towards reducing uncertainty in decision making.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Efficient particle control in systems with large density gradients

Simulations of large density gradients present a number of challenges for direct Monte Carlo methods, since they lead to too few particles in dilute regions and prohibitively many in the dense regions. Here, we propose a particle control methodology that gives the user more control of the number of particles per cell by introducing a variable weight for each particle. The proposed scheme is based on the stochastic weighted particle method, requires only small modifications to DSMC, and exactly conserves mass, momentum, and energy. In validation tests of systems with density ratios of order 102-104, we observe 101-102 times less variance in the dilute region compared to a DSMC solution with the same number of system particles, while introducing a moderate additional computational cost.

DSMC↗
DOE OSTI2024

Ensuring Σ s Y s = 1 in transport of species mass fractions

When transporting species mass fractions in reacting flow simulations, there are physical constraints that must be met. Unfortunately, nonlinear transport schemes such as weighted essentially non-oscillatory (WENO) schemes do not ensure that the sum of mass fractions equals 1. In detonation simulations, errors in the sum of mass fractions are observed to worsen over time when the standard WENO scheme is used. To prevent this, typically one species is forced to absorb all or most of the error in the sum of mass fractions. Here, this work presents an alternative method for correcting the WENO-interpolated mass fractions such that inert species do not change. The method is demonstrated for both argon and nitrogen-diluted hydrogen detonations in one dimension. Using the modified WENO interpolations, the error in the sum is reduced significantly. In addition, the new approach is better able to capture the physical instability expected for nitrogen-diluted detonations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Challenges in Kinetic modeling of ammonia pyrolysis

Ammonia pyrolysis reactions have implications for its ignition and oxidation in engines and gas turbines. In the present work, the chemistry of ammonia pyrolysis is investigated by kinetic modeling and theory. Rate constants for key reactions are carefully evaluated based on available experimental and theoretical results. The high pressure limit k1,∞ for NH 2 + H (+M) ⇄ NH 3 (+M) (R1) is calculated to be essentially the collision frequency, indicating that dissociation of ammonia in combustion processes will be at or close to the low pressure limit even at engine and gas turbine conditions. The chemical kinetic model is validated against reported shock tube measurements of NH 3 , NH 2 , and NH in ammonia pyrolysis. Predictions are in good agreement with observations for dilute conditions (≤ 0.5% NH 3 ), but the model appears to underpredict the NH 3 consumption rate at longer times in less dilute mixtures. At short reaction times, thermal dissociation of NH3, together with the NH 3 + H reaction, controls conversion. At longer times, secondary reactions involving NH 2 and NH become important due to their impact on the radical pool. Predictions become sensitive to formation and consumption of diazene (tHNNH and cHNNH). Several of the key steps in the ammonia pyrolysis mechanism are radical-radical reactions that are difficult to measure accurately and challenging to calculate theoretically, and a more comprehensive experimental characterization is desirable to support further model development.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Property-structure-process relationships in dissimilar material repair with directed energy deposition: Repairing gray cast iron using stainless steel 316L

Directed energy deposition (DED) based remanufacturing leverages the flexibility of additive manufacturing to add value to broken or worn components. DED offers the ability to repair cast iron, a material difficult to repair with traditional welding techniques. Despite this, development of appropriate DED process conditions for bimetallic cast iron structures lags low- and medium-carbon steel repair. Thermal stresses and porosity generated by high-temperature deposition on cast iron often lower mechanical properties and hinder the qualification process. In this report scanning speed, powder mass flow rate, and stepover width are studied in multiple-track structures deposited on gray cast iron. Dilution and residual stresses are found to be highly dependent on the selected process parameters. Samples with a higher volumetric energy input, e.g., slower scanning speeds and higher powder feed rates, showed improved density and lower residual stresses but suffered lower dilution into the substrate. The presented conditions further the development of additive manufacturing technologies for automotive repair.

42 ENGINEERING↗
DOE OSTI2019

Magnetic and magnetocaloric properties of Gd 1 - x Y x 2 NiSi 3 compounds (x = 0.25, 0.5, 0.75)

Here, we report the magnetic dilution effect on the magnetic and magnetocaloric properties of Gd 1 - x Y x 2 NiSi 3 (x = 0.25, 0.5, 0.75) compounds by partial substitution of Y ions in Gd 2 NiSi 3 . The X-ray diffraction studies indicate all theses compounds form in AlB 2 type hexagonal crystal structure. The dc magnetic measurements reveal the compounds undergo antiferromagnetic like phase transition below 11.5, 7.2, and 3.1 K for x = 0.25, 0.5 and 0.75 compositions, respectively. The magnetic ground state of the compounds becoming increasingly fragile with the increase in Y concentration, and results in magnetic field induced ferromagnetic transition. Such change in magnetic spin configuration is responsible for moderately large magnetic entropy change (ΔS M ~ 19.3 J/kg-K, 14.8 J/kg-K and 9.8 J/kg-K for (x = 0.25, 0.5, 0.75), respectively, for ΔH = 7T) in the cryogenic temperature region. The relative cooling power (RCP) has also been measured for all the compounds that appears to be modest (~503 J/kg for 7T magnetic field change) for x = 0.25 analogue and reduces further with magnetic dilution effect caused by Y substitution.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Characterisation and heat treatment of chloride-contaminated and humidified PuO2 samples

To mimic the reactions that have occurred between plutonium dioxide (PuO2) and degraded polyvinyl chloride during prolonged storage, batches of PuO2 powders with varying specific surface area (4-38m2 g1) were exposed to dry hydrogen chloride gas forming a surface-sorbed exchangeable chloride species that was readily leached by dilute caustic solution. One batch was also humidified under a 95% relative humidity atmosphere. Heat treatment at temperatures between 100 and 950 C steadily reduced the leachable chloride content at least when the initial leachable chloride surface coverage was calculated to be > 0.5 monolayer (ML). Variations between samples are attributed to differences in surface area as well as production route and period of interim storage in air or humidified atmospheres. The data are consistent with surface species and reactions proposed in the literature for HCl adsorption on to TiO2. This indicates that it is interactions between hydrogen chloride/chloride and water/hydroxyl species on the PuO2 surface that are key to understanding the behaviour of these materials when heated in a furnace. These data will inform the design of a future thermal stabilisation process for chloride-contaminated PuO2.

Sutherland-Harper, Sophie↗
DOE OSTI2021

The effects of Ti content and quenching on phase transformations, microstructures, and mechanical properties in uranium-titanium alloys

In this work, the effect of Ti content on phase transformations, microstructures, and mechanical properties of U-Ti alloys are described for alloys containing 0.3 wt.% to 2.0 wt.%Ti. Rapid cooling is required to overcome diffusional decomposition of γ-phase and facilitate diffusionless transformation to supersaturated variants of α-phase. Critical cooling rate increases with increasing Ti content, opposite to the trend observed in U-Mo and U-Nb alloys. This difference occurs because the martensite transformation temperatures in these relatively dilute U-Ti alloys are above the knee of the C-curve for diffusional decomposition, unlike those in the more concentrated U-Mo and U-Nb alloys. In these U-Ti alloys critical cooling rate depends on the amount of undercooling required to reach M s , which increases with increasing Ti content, and the time for diffusional decomposition to occur just above M s , which decreases with increasing Ti content. The net result is that higher cooling rates are required as Ti content increases. Full quenching results in diffusionless transformation of γ-phase to supersaturated variants of α-phase. Very dilute alloys transform via a γ → β → α m sequence of massive transformations. Martensitic γ → α' a transformation begins at ~0.4%Ti, and 100% α' a microstructures are obtained from ~0.65% to ~1.4% Ti. A transition to banded α'b martensite occurs at ~1.5%Ti. Evidence suggests that the α' a to α' b transition may occur when the cubic γ-phase first transforms to tetragonal γ°, which in turn transforms to orthorhombic α' b via the sequence γ → γ° → α' b . Fully quenched alloys exhibit moderate strengths and ductilities, and their supersaturation with Ti makes them amenable to subsequent age hardening. Subcritical quenching typically results in two-phase microstructures with lower ductilities and near-zero Ti-supersaturation, eliminating the possibility of subsequent age hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2025

UO2 microstructural evolutions induced by Ni, Mo, and W dopants for intentional forensics

The concept of tagging nuclear fuel with a chemical barcode to enable forensics analysis across the nuclear fuel cycle is an area of active investigation, particularly to ensure fabrication viability without disrupting current fuel performance. This study explored the feasibility of using Ni, Mo, and W isotopic double-spikes as dopants in UO2 fuel from the perspective of fuel fabrication. Doped UO2 pellets were produced using conventional fuel fabrication processes, including powder mixing, sieving, pressing, and sintering in a reductive atmosphere. Two composition levels, 100 and 1000 ppm, were evaluated for each dopant element with isotopic double-spike configurations. For the Ni system, additional dopant concentrations of 250 and 500 ppm were produced with nonperturbed isotopic ratios. The results demonstrated that successful incorporation of Ni, Mo, and W double-spikes into UO2 pellets occurred with minimal shift in final density or dopant loss during pellet fabrication. Isotopic analysis confirmed the presence of the double-spike signature even when diluted with natural isotopic material in ratio of 1:5 in the fabrication process. Microstructural examinations revealed different impacts on grain size compared with undoped UO2. This study showed that Ni incorporation up to ∼500 ppm promoted moderate grain growth, whereas the Mo and W systems caused grain size reduction at all concentrations. Changes in the UO2 lattice parameter as a function of composition were detected exclusively for Ni up to 500 ppm, indicating that the Ni solid solution was the main factor for the observed grain growth. Insoluble (Mo and W) or supersaturated (Ni > 500 ppm) conditions produced grain size reduction. The Ni-doped pellets in the solution range resulted in a final microstructure within fuel specifications, demonstrating its potential benefits of employing complex dopant systems for potential nuclear forensic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Solid-state actinide acid phosphites from phosphorous acid melts

The reaction of UO{sub 3} and H{sub 3}PO{sub 3} at 100 °C and subsequent reaction with dimethylformamide (DMF) produces crystals of the compound (NH{sub 2}(CH{sub 3}){sub 2})[UO{sub 2}(HPO{sub 2}OH)(HPO{sub 3})]. This compound crystallizes in space group P2{sub 1}/n and consists of layers of uranyl pentagonal bipyramids that share equatorial vertices with phosphite units, separated by dimethylammonium. In contrast, the reaction of phosphorous acid and actinide oxides at 210 °C produces a viscous syrup. Subsequent dilution in solvents and use of standard solution-state methods results in the crystallization of two polymorphs of the actinide acid phosphites An(HPO{sub 2}OH){sub 4} (An=U, Th) and of the mixed acid phosphite–phosphite U(HPO{sub 3})(HPO{sub 2}OH){sub 2}(H{sub 2}O)·2(H{sub 2}O). α- and β-An(HPO{sub 2}OH){sub 4} crystallize in space groups C2/c and P2{sub 1}/n, respectively, and comprise a three-dimensional network of An{sup 4+} cations in square antiprismatic coordination corner-sharing with protonated phosphite units, whereas U(HPO{sub 3})(HPO{sub 2}OH){sub 2}(H{sub 2}O){sub 2}·(H{sub 2}O) crystallizes in a layered structure in space group Pbca that is composed of An{sup 4+} cations in square antiprismatic coordination corner-sharing with protonated phosphites and water ligands. We discuss our findings in using solid inorganic reagents to produce a solution-workable precursor from which solid-state compounds can be crystallized. - Graphical abstract: Reaction of UO{sub 3} and H{sub 3}PO{sub 3} at 100 °C and subsequent reaction with DMF produces crystals of (NH{sub 2}(CH{sub 3}){sub 2})[UO{sub 2}(HPO{sub 2}OH)(HPO{sub 3})] with a layered structure. Reaction of phosphorous acid and actinide oxides at 210 °C produces a viscous syrup and further solution-state reactions result in the crystallization of the actinide acid phosphites An(HPO{sub 2}OH){sub 4} (An=U, Th), with a three-dimensional network structure, and the mixed acid phosphite–phosphite U(HPO{sub 3})(HPO{sub 2}OH){sub 2}(H{sub 2}O){sub 2}·(H{sub 2}O) with a layered structure. - Highlights: • U(VI), U(IV) and Th(IV) phosphites were synthesized by solution-state methods. • A new uranyl phosphite structure is based upon uranyl phosphite anionic sheets. • New U and Th phosphites have framework structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Structural, magnetic, and oxygen storage properties of hexagonal Dy{sub 1−x}Y{sub x}MnO{sub 3+δ}

Single-phase polycrystalline samples of hexagonal Dy{sub 1−x}Y{sub x}MnO{sub 3+δ} were synthesized over the full solubility range under reducing oxygen partial pressure conditions. Rietveld refinements using neutron powder diffraction data (NPD) confirmed the persistence of the parent hexagonal P6{sub 3}cm (Space group #185) structure for all the stoichiometric (δ=0) samples. The (Mn–O) bond lengths derived from NPD data were found to be consistent with non-degenerate Mn{sup +3} high-spin state e“{sup 2}e′{sup 2} in trigonal–bipyramidal coordination. Detailed thermogravimetric measurements show large reversible oxygen storage/release capabilities (within the range of oxygen content 3.0–3.3) at unusually low temperatures of 200–400 °C in air or oxygen atmospheres. A phase transition to a new hexagonal phase (Hex1) was observed to take place around δ∼0.29 for the oxygen-loaded Dy-rich samples (x<0.5). Analysis of x-ray and neutron diffraction data using Rietveld refinements demonstrate that the superstructure is formed by tripling the c-axis of the original P6{sub 3}cm unit cell. Modeling of the Hex1 superstructure converged to a structural symmetry consistent with the noncentrosymmetric space group R3c (#161). In magnetization measurements, a ferrimagnetic order for DyMnO{sub 3.0} was observed below 8 K. The dilution of Dy magnetism with nonmagnetic yttrium results in reducing both the transition temperature and the effective paramagnetic moment. - Graphical abstract: Superstructure of the (R3c) Dy{sub 0.7}Y{sub 0.3}MnO{sub 3.29} in the lattice range c=0.27611–0.42829 (left panel) along with its low-temperature oxygen absorption/desorption capability in pure O{sub 2} (right panel). - Highlights: • Polycrystalline samples of Dy{sub 1−x}Y{sub x}MnO{sub 3+δ} were synthesized in the hexagonal phase. • They exhibit large oxygen storage/release capabilities at low oxidation temperatures. • A phase transition to the R3c superstructure was observed around δ=0.29. • Both the Tc and effective paramagnetic moment were reduced with the Dy substitution.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Exchange interactions and the state of iron atoms in Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ}

On the basis of the results of magnetic susceptibility and ESR studies of the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions iron atoms in the solid solutions of cubic modification of bismuth niobate were found to exist as Fe(III) monomers and exchange bound Fe(III)-O-Fe(III) dimers with antiferro- and ferromagnetic type of superexchange. The exchange parameters and the distribution of monomers and dimers in the solid solutions were calculated as a function of paramagnetic atom content. - Graphical abstract: The study of the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions showed that the introduction of iron atoms into the structure of Bi{sub 3}NbO{sub 7} stabilizes the cubic structure of bismuth niobate making the phase transition tetragonal ↔ cubic structure irreversible. In the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions we observe the formation of dimers with antiferro- and ferromagnetic exchange. Such clusters are partially retained even at the infinite dilution of the solid solution, which testifies for their rigidity. A sufficiently high parameter of ferromagnetic exchange in a dimer (+53 cm{sup −1}) seems to result from iron atoms being located in the vicinity of oxygen vacancy. - Highlights: • The reversible transition cubic – tetragonal modifications in Bi{sub 3}NbO{sub 7} becomes irreversible. • Only cubic modification of Bi{sub 3}Nb{sub 1-x}Fe{sub x}O{sub 7-δ} is stable due to clusters of Fe atoms. • These clusters are sufficiently strong and retained even at the infinite dilution. • The calculations of magnetic susceptibility give the distribution of the clusters and single atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A conceptual geochemical model of the geothermal system at Surprise Valley, CA

Characterizing the geothermal system at Surprise Valley (SV), northeastern California, is important for determining the sustainability of the energy resource, and mitigating hazards associated with hydrothermal eruptions that last occurred in 1951. Previous geochemical studies of the area attempted to reconcile different hot spring compositions on the western and eastern sides of the valley using scenarios of dilution, equilibration at low temperatures, surface evaporation, and differences in rock type along flow paths. These models were primarily supported using classical geothermometry methods, and generally assumed that fluids in the Lake City mud volcano area on the western side of the valley best reflect the composition of a deep geothermal fluid. In this contribution, we address controls on hot spring compositions using a different suite of geochemical tools, including optimized multicomponent geochemistry (GeoT) models, hot spring fluid major and trace element measurements, mineralogical observations, and stable isotope measurements of hot spring fluids and precipitated carbonates. We synthesize the results into a conceptual geochemical model of the Surprise Valley geothermal system, and show that high-temperature (quartz, Na/K, Na/K/Ca) classical geothermometers fail to predict maximum subsurface temperatures because fluids re-equilibrated at progressively lower temperatures during outflow, including in the Lake City area. We propose a model where hot spring fluids originate as a mixture between a deep thermal brine and modern meteoric fluids, with a seasonally variable mixing ratio. The deep brine has deuterium values at least 3 to 4‰ lighter than any known groundwater or high-elevation snow previously measured in and adjacent to SV, suggesting it was recharged during the Pleistocene when meteoric fluids had lower deuterium values. The deuterium values and compositional characteristics of the deep brine have only been identified in thermal springs and groundwater samples collected in proximity to structures that transmit thermal fluids, suggesting the brine may be thermal in nature. On the western side of the valley at the Lake City mud volcano, the deep brine-meteoric water mixture subsequently boils in the shallow subsurface, precipitates calcite, and re-equilibrates at about 130 °C. On the eastern side of the valley, meteoric fluid mixes to a greater extent with the deep brine, cools conductively without boiling, and the composition is modified as dissolved elements are sequestered by secondary minerals that form along the cooling and outflow path at temperatures <130 °C. Re-equilibration of geothermal fluids at lower temperatures during outflow explains why subsurface temperature estimates based on classical geothermometry methods are highly variable, and fail to agree with temperature estimates based on dissolved sulfate-oxygen isotopes and results of classical and multicomponent geothermometry applied to reconstructed deep well fluids. Furthermore, the proposed model is compatible with the idea suggested by others that thermal fluids on the western and eastern side of the valley have a common source, and supports the hypothesis that low temperature re-equilibration during west to east flow is the major control on hot spring fluid compositions, rather than dilution, evaporation, or differences in rock type.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

14C and U-series disequilibria age constraints from recent eruptions at Sete Cidades volcano, Azores

Accurate dating of young (<10 ka) volcanic rocks poses numerous challenges, yet determining eruption ages is critical to understanding magmatic evolution and hazards associated with active volcanic centers. 14C dating is the preferred technique for dating young geologic materials, but a few studies have suggested that volcanic degassing can result in erroneously old 14C dates (e.g. Pasquier-Cardin et al., 1999). Finding an isotopic system with which to accurately constrain eruptive recurrence intervals at recently active volcanic centers is critical to assessing future volcanic hazards. In this study, we have obtained 14C data from modern terrestrial gastropods on Sa~o Miguel island, Azores to assess the current impact of volcanic degassing on 14C ages near active and extinct volcanic centers, and for one active volcanic center, we have compared 14C of paleosols with 226Ra-230Th maximum eruptive ages for pumices immediately overlying the respective paleosols. 14C ages of the modern terrestrial gastropod Cornu aspersum demonstrate the effects of dilution from a range of current outgassing levels at three active trachytic stratovolcanoes on Sa~o Miguel island: Sete Cidades, Fogo, Furnas, as well as the extinct Povoac¸a~o volcano. A modern gastropod sampled at Furnas, where there is evidence of extensive present-day degassing, has a 14C age of 394 ±97 y cal BP. At Fogo volcano, also a location with active degassing, the 14C age of a modern gastropod is 1324 ±60 y cal BP. Both of these ages clearly show effects of dilution of atmospheric 14C due to volcanic degassing. In contrast, there is currently no apparent outgassing occurring at Sete Cidades or Povoac¸a~o, and modern gastropod ages from these volcanoes are post-bomb. We also obtained 14C data from paleosols and 226Ra-230Th ages associated pumices from the youngest eruptive sequence of Sete Cidades volcano, the Pepom P1-P17 deposits, the ages of which are poorly constrained but thought to be <5,000 y (Queiroz, 1997). 226Ra-230Th disequilibrium in a P1 glass separate indicates a maximum eruptive age of 4440 ±195 y. 14C ages of paleosols below P1 and P3 are older than those derived from 226Ra-230Th dating, at 7293 ±141 y cal BP and 7698 ± 172 y cal BP, respectively. We interpret the 14C ages as being erroneously old due to abundant volcanic degassing at the time of eruption. Similarly, but to a lesser extent, the 226Ra-230Th maximum eruptive age of glass separated from the P8 eruption is 2659 ±55 y, whereas the age of the paleosol sampled directly beneathP8 is older (3054 ±194 y BP). In contrast, paleosols sampled at multiple field localities from below the most recent eruptive deposit (P17) are within error of each other (476 ±56 cal y BP and 585 ±68 cal y BP), while 226Ra-230Th maximum eruptive ages in glass separates from two different P17 sampling sites are 762 ±14 y and 730 y ±15 y. This is consistent with the observation that Sete Cidades volcano is experiencing limited hydrothermal activity at the present time and likely had similar low levels of degassing just prior to the last eruption. The average eruptive recurrence interval for the P1-P17 deposits, based on 226Ra-230Th maximum eruptive ages from P1 and P8 and 14C ages from P17, is ~220 years. This recurrence interval is similar to the ~200 y eruptive recurrence interval at Furnas volcano and much shorter than the ~1200 y eruptive interval at Fogo volcano. This has important implications with respect to volcanic hazards and should be considered in any future volcanic hazard planning.

U-series disequilibria, Carbon-14, Cornu aspersum,↗
DOE OSTI2012

Synthesis and characterization of ZnO and Ni doped ZnO nanorods by thermal decomposition method for spintronics application

Zinc oxide nanorods and diluted magnetic semiconducting Ni doped ZnO nanorods were prepared by thermal decomposition method. This method is simple and cost effective. The decomposition temperature of acetate and formation of oxide were determined by TGA before the actual synthesis process. The X-ray diffraction result indicates the single phase hexagonal structure of zinc oxide. The transmission electron microscopy and scanning electron microscopy images show rod like structure of ZnO and Ni doped ZnO samples with the diameter {approx} 35 nm and the length in few micrometers. The surface analysis was performed using X-ray photoelectron spectroscopic studies. The Ni doped ZnO exhibits room temperature ferromagnetism. This diluted magnetic semiconducting Ni doped ZnO nanorods finds its application in spintronics. - Highlights: Black-Right-Pointing-Pointer The method used is very simple and cost effective compared to all other methods for the preparation DMS materials. Black-Right-Pointing-Pointer ZnO and Ni doped ZnO nanorods Black-Right-Pointing-Pointer Ferromagnetism at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Microstructure and creep characteristics of dissimilar T91/TP316H martensitic/austenitic welded joint with Ni-based weld metal

This paper deals with characterization of microstructure and creep behavior of dissimilar weldment between the tempered martensitic steel T91 and the non-stabilized austenitic steel TP316H with Ni-based weld metal (Ni WM). Microstructure analyses were performed using light microscopy, scanning and transmission electron microscopy and energy-dispersive X-ray spectroscopy. The martensitic part of the welded joint exhibited a wide heat-affected zone (HAZ) with typical microstructural gradient from its coarse-grained to the fine-grained/intercritical region. In contrast, the HAZ of austenitic steel was limited to only a narrow region with coarsened polygonal grains. The microstructure of Ni WM was found to be very heterogeneous with respect to the size, morphology and distribution of grain boundaries and MC-type precipitates as a result of strong weld metal dilution effects and fast non-equilibrium solidification. Cross-weld creep tests were carried out in a temperature range from 600 to 650 Degree-Sign C at applied stresses from 60 to 140 MPa. The obtained values of apparent stress exponents and creep activation energies indicate thermally activated dislocation glide to be the governing creep deformation mechanism within the range of used testing conditions. The creep samples ruptured in the T91 intercritical HAZ region by the 'type IV cracking' failure mode and the creep fracture mechanism was identified to be the intergranular dimple tearing by microvoid coalescence at grain boundaries. The TEM observations revealed pronounced microstructural differences between the critical HAZ region and the T91 base material before as well as after the creep exposure. - Highlights: Black-Right-Pointing-Pointer Phase transformations affect the microstructures of T91 and TP316H HAZ regions. Black-Right-Pointing-Pointer High weld metal dilution results in heterogeneous microstructure with MC carbides. Black-Right-Pointing-Pointer Creep behavior of the studied weldment is controlled by its martensitic T91 part. Black-Right-Pointing-Pointer The lowest hardness of T91 ICHAZ region corresponds with its lowest creep strength.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of Nb and Ta additions on the strength and coarsening resistance of precipitation-strengthened Al-Zr-Sc-Er-Si alloys

Highlights: • Nb and Ta micro-additions are made to a dilute Al-Er-Sc-Zr-Si alloys. • Zr-enriched primary L1{sub 2} precipitates form on solidification. • Secondary L1{sub 2} precipitates form on aging, and show improved coarsening resistance. • Nb and Ta are enriched at the secondary nanoprecipitate/matrix interface. • Micro-additions of Nb and Ta have similar effects as V, previously studied. - Abstract: A dilute Al-0.07Zr-0.02Sc-0.005Er-0.06Si (at.%) alloy was microalloyed with 0.08 at.% Nb or Ta. Atom-probe tomography reveals that, upon aging, Nb and Ta partition to the coherent L1{sub 2}-Al{sub 3}(Zr,Sc,Er) nanoprecipitates (with average concentrations of 0.2 and 0.08 at.%, respectively), with both segregating at the matrix/nanoprecipitate heterophase interface. This is consistent with the Nb- and Ta-modified alloys exhibiting, as compared to the unmodified alloy: (i) higher peak microhardness, from a higher nanoprecipitate volume fraction and/or lattice parameter mismatch; and (ii) improved aging resistance, from slower nanoprecipitate coarsening due to the small diffusivities of niobium and tantalum in aluminum. Analogous results were previously reported for a V-modified alloy.

36 MATERIALS SCIENCE↗