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At least 19 records

Large-scale shell-model calculations for even-odd {sup 61-65}Fe isotopes

Large-scale shell-model calculations have been performed to calculate the negative-parity states of even-odd {sup 61-65}Fe isotopes. The results are compared with the recent experimental data reported at Legnaro National Laboratories and also with earlier calculations with fpg interaction in a truncated configuration space. It is observed that negative parity states of {sup 61}Fe can be well reproduced with GXPF1A interaction in full fp space without truncation. For {sup 63}Fe the correct ordering of levels is not reproduced. The structure of the wave function for the ground state and first excited state suggests that the ordering of the single-particle energy levels gets modified due to monopole correction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear Data Sheets for A = 65

The evaluators present in this publication spectroscopic data and level schemes from radioactive decay and nuclear reactions studies for all isobars with mass number A=65. Not much is known experimentally about {sup 65}V and {sup 65}Cr, although they are expected to decay by {beta}-emission. Spin/parity assignments for {sup 65}Mn, {sup 65}Fe, {sup 65}As, and {sup 65}Se are not firmly established.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Design, Modeling, and Testing of a Novel Inductor for Electric Vehicles: Iron Nitride Soft Magnetic Composites

New technology for electric vehicles (EVs) must meet the requirements of higher energy usage, lower costs, and more sustainable source materials. One promising material for EV power system components is iron nitride (IN) soft magnetic composites (SMCs) because of their competitive magnetic properties and high abundance of the source materials. As part of an ongoing program at Sandia National Laboratories, this project focused on using computer modeling to optimize the prototyping process for an iron nitride SMC toroidal inductor to reach a target inductance of 600 μH. Four inductors with different combinations of wiring (26 AWG and 20 AWG) and vol% loading of iron nitride (65 vol% and 50 vol%) were fabricated at Cal Poly and characterized using an LCR meter. These inductors were also modeled using COMSOL Multiphysics™ with the Magnetic Fields module. The inductance data from the experiment and the model show that the 65 vol% IN prototypes and models agree with about 8% difference, while the 50 vol% IN samples show about a 9% difference between the prototype and the model. These results suggest that the model can predict inductance with both accuracy and precision with low confidence for the given sample size of four. An additional parameter of AC resistance is studied but the AC resistance results from the inductors and from the model generally do not agree closely, suggesting that the current model used in the project does not fully capture the mechanisms behind AC resistance of the inductor. With the focus of the project on inductance, the percent difference results of less than 9% across the four inductors that were tested increases confidence in the model’s predictive capabilities for inductance only. Using the inductance results from both the model and experiment, the final suggested inductor design is a 65 vol% core with 150 windings of 20 AWG wire that is 8 cm across and 1.5 cm tall to reach the inductance goal of 600 μH based on analysis using the optimized COMSOLTM model.

33 ADVANCED PROPULSION SYSTEMS↗

Growth of nematic susceptibility in the field-induced normal state of an iron-based superconductor revealed by elastoresistivity measurements in a 65 T pulsed magnet

We report that in iron-based superconductors, both nematic and magnetic fluctuations are expected to enhance superconductivity and may originate from a quantum critical point hidden beneath the superconducting dome. The behavior of the nonsuperconducting state can be an important piece of the puzzle, motivating, in this paper, the use of high magnetic fields to suppress superconductivity and measure the nematic susceptibility of the normal state at low temperatures. We describe experimental advances which make it possible to measure a resistive gauge factor (which is a proxy for the nematic susceptibility) in the field-induced normal state in a 65 T pulsed magnet, and report measurements of the gauge factor of a micromachined single crystal of Ba(Fe 0.926 Co 0.074 ) 2 As 2 at temperatures down to 1.2 K. Finally, the nematic susceptibility increases monotonically in the field-induced normal state as the temperature decreases, consistent with the presence of a quantum critical point nearby in composition.

36 MATERIALS SCIENCE↗

IRON: A KEY ELEMENT FOR UNDERSTANDING THE ORIGIN AND EVOLUTION OF INTERSTELLAR DUST

The origin and depletion of iron differ from all other abundant refractory elements that make up the composition of interstellar dust. Iron is primarily synthesized in Type Ia supernovae (SNe Ia) and in core collapse supernovae (CCSN), and is present in the outflows from AGB stars. Only the latter two are observed to be sources of interstellar dust since searches for dust in SN Ia have provided strong evidence for the absence of any significant mass of dust in their ejecta. Consequently, more than 65% of the iron is injected into the ISM in gaseous form. Yet ultraviolet and X-ray observations along many lines of sight in the ISM show that iron is severely depleted in the gas phase as compared to expected solar abundances. The missing iron, comprising about 90% of the total, is believed to be locked up in interstellar dust. This suggests that most of the missing iron must have precipitated from the ISM gas by a cold accretion onto preexisting silicate, carbon, or composite grains. Iron is thus the only element that requires most of its growth to occur outside the traditional stellar condensation sources. This is a robust statement that does not depend on our evolving understanding of the dust destruction efficiency in the ISM. Reconciling the physical, optical, and chemical properties of such composite grains with their many observational manifestations is a major challenge for understanding the nature and origin of interstellar dust.

79 ASTRONOMY AND ASTROPHYSICS↗

The Ce-Fe-Ti System: Phase Equilibria in the Fe-rich Corner at 1000 °C

The rare earth–iron–transition metal systems are of increasing interest in the search for novel permanent magnet phases. This work reports on the solidification behavior, phase equilibria and stability range of solid phases in the ternary Ce-Fe-Ti system, focusing on the iron-rich region (> 65 at.% Fe) of the isothermal section at 1000 °C. Further, two ternary phases Ce 1.03 Fe 12-x Ti x (x = 0.87–1.02) with ThMn 12 structure type and Ce 3.06 Fe 27.6 Ti 1.4 with Nd 3 Fe 29 structure type were observed. Magnetic measurements of Ce 1.03 Fe 12-x Ti x and Ce 3.06 Fe 27.6 Ti 1.4 revealed ferromagnetic ordering with Curie temperatures of 550 K and 327 K, respectively.

36 MATERIALS SCIENCE↗

Semiconductor composition containing iron, dysprosium, and terbium

An amorphous semiconductor composition includes 1 to 70 atomic percent iron, 15 to 65 atomic percent dysprosium, 15 to 35 atomic percent terbium, balance X, wherein X is at least one of an oxidizing element and a reducing element. The composition has an essentially amorphous microstructure, an optical transmittance of at least 50% in at least the visible spectrum and semiconductor electrical properties.

36 MATERIALS SCIENCE↗

The iron oxidation state of Ryugu samples

The Hayabusa2 mission sampled Ryugu, an asteroid that did not suffer extensive thermal metamorphism, and returned rocks to the Earth with no significant air exposure. It therefore offers a unique opportunity to study the redox state of carbonaceous Cb-type asteroids and evaluate the overall redox state of the most primitive rocks of the solar system. An analytical framework was developed to investigate the iron mineralogy and valence state in extraterrestrial material at the micron scale by combining x-ray diffraction, conventional Mössbauer (MS), and nuclear forward scattering (NFS) spectroscopies. An array of standard minerals was analyzed and cross-calibrated between MS and NFS. Then, MS and NFS spectra on three Ryugu grains were collected at the bulk and the micron scales. In Ryugu samples, iron is essentially accommodated in magnetite, clay minerals (serpentine–smectite), and sulfides. Only a single set of Mössbauer parameters was necessary to account for the entire variability observed in MS and NFS spectra, at all spatial scales investigated. These parameters therefore make up a fully consistent iron mineralogical model for the Ryugu samples. As far as MS and NFS spectroscopies are concerned, Ryugu grains are overall similar to each other and share most of their mineralogical features with CI-type chondrites. In detail however, no ferrihydrite is found in Ryugu particles even at the very sensitive scale of Mössbauer spectroscopy. The typical Fe 3+ /Fe tot of clay minerals is much lower than typical redox ratios measured in CI chondrites (Fe 3+ /Fe tot = 85%–90%). Furthermore, magnetite from Ryugu is stoichiometric with no significant maghemite component, whereas up to 12% of maghemite was previously identified in the Orgueil's so-called magnetite. These differences suggest that most CI meteorites suffered terrestrial alteration and that the preterrestrial composition of these carbon-rich samples was less oxidized than previously measured. However, it is not clear yet whether or not the parent bodies of CI chondrites were as reduced as Ryugu. Finally, the high spatial resolution of NFS allows to disentangle the redox state and the crystal chemistry of iron accommodated in serpentine and smectite. The most likely polytype of serpentine is lizardite, containing <35% of Fe 3+ , a fraction of which being tetrahedrally coordinated. Smectite is more oxidized (Fe 3+ /Fe tot > 65%) and mainly contains octahedral ferric iron. In conclusion, this finding implies that these clays formed from highly alkaline fluids and the spatial variability highlighted here may suggest a temporal evolution or a spatial variability of the nature of this fluid.

58 GEOSCIENCES↗

Inverse Calculation of Burden Distribution Matrix Using B-spline Model Based PDF control in Blast Furnace Burden Charging Process

The inverse calculation of burden distribution matrix (BDM) is one of the most important challenges in the blast furnace operation in iron-making processes. In general, blast furnace consumes 65% of the total energy for the whole steel-making. Focusing on this practical challenge, this article proposes a new burden distribution spatial model in calculating burden charging process, and develops a B-spline approximation-based probability density function (PDF) control algorithm to assign the expected thickness distribution of burden layer and, thus, develops a new method for the required inverse calculation of BDM. First, a novel method for the thickness distribution of burden layer is given using B-spline model to produce an expected distribution shape subjected to a desired tracking within a specific spatial constraint. Then, according to the coexistence of continuous and bounded discrete variables in BDM, a novel hybrid optimization control method by combining integer programming and PDF tracking is further established for the effective inverse calculation of BDM. Finally, the proposed PDF-based iterative inverse calculation of BDM using B-spline models are tested using various data from industrial examples. Furthermore, the simulation results show that the proposed method is well suited to solve the BDM inverse calculation problem in practice.

42 ENGINEERING↗

Use of bimodal carbon distribution in compacts for producing metallic iron nodules

A method for use in production of metallic iron nodules comprising providing a reducible mixture into a hearth furnace for the production of metallic iron nodules, where the reducible mixture comprises a quantity of reducible iron bearing material, a quantity of first carbonaceous reducing material of a size less than about 28 mesh of an amount between about 65 percent and about 95 percent of a stoichiometric amount necessary for complete iron reduction of the reducible iron bearing material, and a quantity of second carbonaceous reducing material with an average particle size greater than average particle size of the first carbonaceous reducing material and a size between about 3 mesh and about 48 mesh of an amount between about 20 percent and about 60 percent of a stoichiometric amount of necessary for complete iron reduction of the reducible iron bearing material.

36 MATERIALS SCIENCE↗

Use of bimodal carbon distribution in compacts for producing metallic iron nodules

A method for use in production of metallic iron nodules comprising providing a reducible mixture into a hearth furnace for the production of metallic iron nodules, where the reducible mixture comprises a quantity of reducible iron bearing material, a quantity of first carbonaceous reducing material of a size less than about 28 mesh of an amount between about 65 percent and about 95 percent of a stoichiometric amount necessary for complete iron reduction of the reducible iron bearing material, and a quantity of second carbonaceous reducing material with an average particle size greater than average particle size of the first carbonaceous reducing material and a size between about 3 mesh and about 48 mesh of an amount between about 20 percent and about 60 percent of a stoichiometric amount of necessary for complete iron reduction of the reducible iron bearing material.

36 MATERIALS SCIENCE↗

Microbial Iron Cycling in Acidic Geothermal Springs of Yellowstone National Park: Integrating Molecular Surveys, Geochemical Processes, and Isolation of Novel Fe-Active Microorganisms

Geochemical, molecular, and physiological analyses of microbial isolates were combined to study the geomicrobiology of acidic iron oxide mats inYellowstone National Park. Nineteen sampling locations from 11 geothermal springs were studied ranging in temperature from 53 to 88°C and pH 2.4 to 3.6. All iron oxide mats exhibited high diversity of crenarchaeal sequences from the Sulfolobales, Thermoproteales, and Desulfurococcales. The predominant Sulfolobales sequences were highly similar to Metallosphaera yellowstonensis str. MK1, previously isolated from one of these sites. Other groups of archaea were consistently associated with different types of iron oxide mats, including undescribed members of the phyla Thaumarchaeota and Euryarchaeota. Bacterial sequences were dominated by relatives of Hydrogenobaculum spp. above 65–70°C, but increased in diversity below 60°C. Cultivation of relevant iron-oxidizing and iron-reducing microbial isolates included Sulfolobus str. MK3, Sulfobacillus str. MK2, Acidicaldus str. MK6, and a new candidate genus in the Sulfolobales referred to as Sulfolobales str. MK5. Strains MK3 and MK5 are capable of oxidizing ferrous iron autotrophically, while strain MK2 oxidizes iron mixotrophically. Similar rates of iron oxidation were measured for M. yellowstonensis str. MK1 and Sulfolobales str. MK5. Biomineralized phases of ferric iron varied among cultures and field sites, and included ferric oxyhydroxides, K-jarosite, goethite, hematite, and scorodite depending on geochemical conditions. Strains MK5 and MK6 are capable of reducing ferric iron under anaerobic conditions with complex carbon sources. The combination of geochemical and molecular data as well as physiological observations of isolates suggests that the community structure of acidic Fe mats is linked with Fe cycling across temperatures ranging from 53 to 88°C.

59 BASIC BIOLOGICAL SCIENCES↗

Root-driven weathering impacts on mineral-organic associations in deep soils over pedogenic time scales

Plant roots are primary weathering agents in deep soils, yet the impact of resulting mineral transformations on the vast deep soil carbon (C) reservoir are largely unknown. Root-driven weathering of primary minerals causes the formation of reactive secondary minerals, which may protect mineral-organic associations (MOAs) for centuries or millennia. Conversely, root-driven weathering may also transform secondary minerals, potentially enhancing the bioavailability of C previously protected in MOAs. Here we examined the impact of root-driven weathering on MOAs and their capacity to store C over pedogenic time scales. To accomplish this, we compared soil that experienced root-driven weathering, resulting in the formation of discrete rhizosphere zones in deep soil horizons (100-160 cm) of the Santa Cruz Marine Terrace chronosequence (65ka-226ka), with adjacent soil that experienced no root growth. Using a combination of radiocarbon, mass spectrometry, Mössbauer spectroscopy, and X-ray spectromicroscopy approaches, we characterized transformations of mineral-organic associations in relation to changes in C content, turnover and chemistry across four soils ranging in age from 65 to 226 ka. We found that the onset of root-driven weathering (65-90ka) increased the amount of C associated with poorly crystalline iron (Fe) and aluminum (Al) phases, particularly highly-disordered np-goethite. This increase coincided with greater C concentrations, longer C residence times, and a greater abundance of microbially-derived C. Continued root-driven weathering (137-226ka) did not significantly change the amount of C associated with crystalline Fe and Al phases, but resulted in a decline in the amount of C associated with poorly crystalline metal phases. This decline coincided with a decrease in C concentrations and potential turnover rates, and a shift toward plant-derived C. In contrast, soil not affected by root-driven weathering showed comparatively low amounts of C bound in poorly crystalline Fe and Al phases regardless of soil age and, correspondingly, lower C concentrations and estimated residence times. Furthermore, our results demonstrate that root driven-formation and disruption of poorly crystalline Fe and Al phases is a direct control on both C accrual and loss in deep soil. This finding suggests that root impacts on soil C storage are dependent on soil weathering stage, a consideration that is critical for future predictions of the vulnerability of deep soil C to global change.

58 GEOSCIENCES↗

Iron incorporation both intra- and extra-cellularly improves the yield and saccharification of switchgrass (Panicum virgatum L.) biomass

Abstract Background Pretreatments are commonly used to facilitate the deconstruction of lignocellulosic biomass to its component sugars and aromatics. Previously, we showed that iron ions can be used as co-catalysts to reduce the severity of dilute acid pretreatment of biomass. Transgenic iron-accumulating Arabidopsis and rice plants exhibited higher iron content in grains, increased biomass yield, and importantly, enhanced sugar release from the biomass. Results In this study, we used intracellular ferritin (FerIN) alone and in combination with an improved version of cell wall-bound carbohydrate-binding module fused iron-binding peptide (IBPex) specifically targeting switchgrass, a bioenergy crop species. The FerIN switchgrass improved by 15% in height and 65% in yield, whereas the FerIN/IBPex transgenics showed enhancement up to 30% in height and 115% in yield. The FerIN and FerIN/IBPex switchgrass had 27% and 51% higher in planta iron accumulation than the empty vector (EV) control, respectively, under normal growth conditions. Improved pretreatability was observed in FerIN switchgrass (~ 14% more glucose release than the EV), and the FerIN/IBPex plants showed further enhancement in glucose release up to 24%. Conclusions We conclude that this iron-accumulating strategy can be transferred from model plants and applied to bioenergy crops, such as switchgrass. The intra- and extra-cellular iron incorporation approach improves biomass pretreatability and digestibility, providing upgraded feedstocks for the production of biofuels and bioproducts.

09 BIOMASS FUELS↗

Material extrusion with integrated compression molding of NdFeB/SmFeN nylon bonded magnets using small- and large-scale pellet-based 3D-printers

High-density bonded rare-earth magnets are manufactured using pellet-fed additive manufacturing (AM)/material extrusion and an integrated additive manufacturing-compression molding (AM-CM) process. Neodymium iron boron – samarium iron nitride in polyamide 12 (NdFeB-SmFeN/PA12) of 93 % weight fraction (65 % volume fraction) are used for the study. The mechanical properties (tensile strength and modulus), magnetic properties (maximum energy density, coercivity, remanence) are reported. Manufacturing parameters such as layer height, barrel temperatures, screw speed and gantry feed rate are optimized to obtain the highest possible density of the magnets using a small-scale desktop material extrusion printer. Large scale integrated additive manufacturing-compression molding (AM-CM) is then utilized to increase the density of the magnets by reducing porosity defects common in the material extrusion process. The density of as-printed magnets was 5.2 g/cm 3 with a BH max value of 124.14 kJ/m 3 , tensile strength of 20 MPa and a modulus of 2 GPa. AM-CM increased the density of the compound by 5.5 % (5.49 g/cm 3 ). The reduction in porosity was confirmed using X-ray tomography (XCT). Improvement in mechanical strength of the material was also observed, with an increase in tensile strength of 25 % (25.09 MPa) and increase in tensile modulus of 275 % (5.49 GPa). Scanning electron microscopy showed increased particle-matrix adhesion with the integrated AM-CM process.

36 MATERIALS SCIENCE↗

Mechanical and physical properties of inorganic polymer cement made of iron-rich laterite and lateritic clay: A comparative study

In this work, two different laterites (iron contents of 13.07 and 49.34 wt%, respectively, for lateritic clay, LAC, and iron-rich laterite, LAI) were selected and calcined at 600 °C. The obtained calcined laterites, namely LAI600 and LAC600, were separately mixed with an alkaline solution (silicate modulus of 1.35) or an acidic solution (phosphoric acid solution at pH ≤ 2) for the synthesis of inorganic polymer products. The fabricated products were cured at 20 °C (ambient) and 40 °C (oven). The obtained results showed that the compressive strength of each series of alkaline-based inorganic polymer binder increased with ageing time (7 and 28 days) for room temperature curing, while the reverse trend was noted for oven-cured specimens. The best mechanical performance was obtained when using a phosphoric acid solution, 38 and 52 ± 1 MPa; 62 and 65 ± 1 MPa at 28 days for LAC and LAI respectively. It appeared that a higher iron content within the laterite contributed to an increase in the compressive strength under acidic conditions (LAI (59 MPa) > LAC (48 MPa)) compared to the behavior obtained under alkaline conditions (LAI (6 MPa) < LAC (29 MPa)). Accordingly, the acidic products exhibited a dense structure (with lower porosity) and contained amorphous iron/aluminium phosphate phases such as berlinite (FePO{sub 4}), iron hydrogen phosphate hydrate (Fe{sub 3}H{sub 15}(PO{sub 4}){sub 8·}4H{sub 2}O), ferrowyllieite (AlFe{sub 2}Na{sub 2}(PO{sub 4}){sub 3}) and sodium iron phosphate (Na{sub 3}Fe{sub 2}(PO{sub 4}){sub 3}) arising from the alteration of iron minerals in an acidic medium, confirmed by Mössbauer spectroscopy and electron paramagnetic resonance spectroscopy.

36 MATERIALS SCIENCE↗

DETAILED ABUNDANCES FOR M GIANTS IN TWO INNER BULGE FIELDS FROM INFRARED SPECTROSCOPY

We report abundance analysis for 30 M giant stars in two inner Galactic bulge fields at (l, b) = (0 Degree-Sign , -1.{sup 0}75) and at (l, b) = (1 Degree-Sign , -2.{sup 0}65), based on R = 25,000 infrared spectroscopy (1.5-1.8 {mu}m) using NIRSPEC at the Keck II telescope. We find iron abundances of ([Fe/H]) = -0.16 {+-} 0.03 dex with a 1{sigma} dispersion of 0.12 {+-} 0.02 and ([Fe/H]) = -0.21 {+-} 0.02 dex, with a 1{sigma} dispersion of 0.09 {+-} 0.016 for the (l, b) = (0 Degree-Sign , -1.{sup 0}75) and (l, b) = (1 Degree-Sign , -2.{sup 0}65) fields, respectively. In agreement with all prior studies, we find enhanced [{alpha}/Fe] of +0.3 dex. We confirm the lack of any major vertical abundance or composition gradient in the innermost {approx}600 pc between Baade's Window, at (l, b) = (1 Degree-Sign , -3.{sup 0}9), and {approx}150 pc from the Galactic plane. We also confirm that the known enhancement of alpha elements observed between 500 and 1000 pc from the nucleus is also present over the volume of the inner bulge and may therefore be presumed to be characteristic of all bulge/bar stars within 1 kpc of the Galactic center.

79 ASTRONOMY AND ASTROPHYSICS↗

Uranium and Nickel Partitioning in a Contaminated Riparian Wetland

Uranium (U) and nickel (Ni) released 50 years ago have been immobilized in the Tims Branch wetlands located on the Savannah River Site in the United States. Sediments were collected from seven locations to identify the factors responsible for this attenuation. Ni and U contents in the solids were significantly correlated, suggesting that depositional as opposed to chemical processes contributed to their spatial distribution. Based on sequential extractions, 63 ± 16% of the U was partitioned into the organic fraction, whereas Ni was distributed between several sediment fractions. An inverse pH-organic matter (OM) correlation and positive correlations of OM with total U and organic-bound U/Ni suggest that increased OM preservation and binding to the mineral surfaces were likely responsible for Ni- and especially U-sediment retention (Tims Branch pH = 4.84 ± 0.68). EXAFS analysis indicated the predominance of U(VI) coordinated with clay minerals (~65%), together with ~35% coordinated to either OM (in areas with elevated OM levels) or iron oxides. The desorption-Kd coefficients of U (3972 ± 1370 L/kg) and Ni (30 ± 8 L/kg) indicate that dissolved Ni poses a greater long-term risk than dissolved U for migrating downstream. This study suggests that a delicate balance of geochemical properties controls whether wetlands behave as sinks or sources of contaminants.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗