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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The influence of exploration activities of a potential lithium mine to the environment in Western Serbia

The proposed exploitation of the Jadar Valley lithium/borate deposit in Serbia, by the Rio Tinto Corporation, indicates that it would become large-scale processing of boron- and lithium-containing ore. It would be one of the world’s very first lithium mines in populated and agricultural area. The company claims that the envisioned mining will be in accordance with environmental protection requirements. The Jadar Valley deposits have been claimed to cover 90% of Europe’s current lithium needs. Yet, local opposition to the mining has arisen due to potential devastating impacts on groundwater, soil, water usage, biodiversity loss, and waste accumulation. Research drilling by the mining company has already produced environmental damage, with mine water containing high levels of boron leaking from exploratory wells and causing crops to dry out. Furthermore, our investigations reveal substantially elevated downstream concentrations of boron, arsenic, and lithium in nearby rivers as compared to upstream regions. Additionally, here we show that soil samples exhibit repeated breaches of remediation limit values with environmental consequences on both surface and underground waters. With the opening of the mine, problems will be multiplied by the tailings pond, mine wastewater, noise, air pollution, and light pollution, endangering the lives of numerous local communities and destroying their freshwater sources, agricultural land, livestock, and assets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The Gaussian nature of the band-edge of ZnO microcrystalline thin films

A straightforward analytical approach based on the derivative of the absorption coefficient is presented, which enables probing the nature of the band edge (BE) of ZnO microcrystalline films. The study was conducted via transmission experiments at temperatures of 77–532 K and repeated for samples annealed up to 1073 K. It was found that the derivative of the natural log of the BE absorption coefficient resulted in a Gaussian function. The Gaussian linewidth is used in the electron–phonon (e–p) interaction model to characterize the defect-state of the films. The BE of the as-grown film was found to exhibit no thermal dependence and no e–p coupling, indicative of a disordered crystal. Upon annealing and improvement of the film quality, the thermal phonons became more activated, but only above room temperature with a phonon energy of ~75 meV, while up to room temperature, the impact of phonons on the BE is insignificant. A disorder–order transition was determined to take place at an annealing temperature of ~673 K. X-ray diffraction concurs with these results. The study indicates that the prevalent defects are of structural nature due to the inherent granular morphology of the films. This defect was found to dominate the behavior of the BE even at the elevated temperature regime rather than thermal phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High field magnetization of FePS 3

High field magnetization measurements in pulsed fields up to 65 T have been performed on FePS 3 , which is nominally a good example of a two-dimensional Ising-like antiferromagnet on a honeycomb lattice. Measurements with the field parallel to the moment direction confirm the presence of two first-order transitions above 35 T, to M/M sat = 1/2 and M/M sat = 1, respectively, at 4 K. The measurements are in contradiction with published estimates for the magnetic exchange parameters, but the contradiction can be resolved by allowing for anisotropic exchange parameters in the Hamiltonian. Furthermore, the magnetization with the field perpendicular to the moment direction is anisotropic, with no transitions observed for fields along the a axis while a cascade of first-order transitions is observed for fields above 50 T along the b axis, the latter case also showing a strong degradation of the sample after repeated pulses. The results indicate a strong magnetolattice coupling in FePS 3 . Temperature-dependent measurements hint at a possible tricritical point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Integrated Geomechanics and Geophysics in Induced Seismicity: Mechanisms and Monitoring

Quantifying in-situ subsurface stresses and predicting fracture development are critical to reducing risks of induced seismicity and improving modern energy activities in the subsurface. In this work, we developed a novel integration of controlled mechanical failure experiments coupled with microCT imaging, acoustic sensing, modeling of fracture initiation and propagation, and machine learning for event detections and waveform characterization. Through additive manufacturing (3D printing), we were able to produce bassanite-gypsum rock samples with repeatable physical, geochemical and structural properties. With these "geoarchitected" rock, we provided the role of mineral texture orientation on fracture surface roughness. The impact of poroelastic coupling on induced seismicity has been systematically investigated to improve mechanistic understanding of post shut-in surge of induced seismicity. This research will set the groundwork for characterizing seismic waveforms by using multiphysics and machine learning approaches and improve the detection of low-magnitude seismic events leading to the discovery of hidden fault/fracture systems.

42 ENGINEERING↗
DOE OSTI2022

Comparison of Microbial Profiling and Tracer Testing for the Characterization of Injector-Producer Interwell Connectivities

Insufficient understanding of the microbial communities and associated microbial processes in geological reservoirs hinders the utilization of this rich data source for improved resource management. In this study, along with four interwell tracer tests at a 1478-m deep fractured crystalline-rock aquifer, we analyzed the microbial communities in the injected and produced water by high-throughput sequencing. The microbial community similarities across boreholes during an interwell flow scenario frequently encountered in reservoir development was explored. Despite the significant tracer recoveries (~30%) in all tracer tests and the cumulatively >100,000 L of exogenous water (carrying exogenous microbes) injected into the 10-m-scale reservoir, the overall structure of produced-fluid microbiome did not increasingly resemble that of the injectate. However, producers with better connectivity with the injector (based on tracer test results) did have more amplicon sequence variants (ASVs) that overlapped with those in the injectate. We identified possible drivers behind our observations and verified the practicality of repeated microbial sampling in the context of reservoir characterization and long-term monitoring. We highlight that injector-producer microbial profiling could provide insights on the relative connectivities across different producers with a given injector, and that the associated logistical needs may be comparable or even less than that of classic tracer tests.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Multiobjective Constrained Symbolic Regression for Predictive Modeling of Material Creep Behavior

When creep testing is repeated on samples of the same alloy under the same parametric conditions (i.e., stress and temperature), the resulting strain/time curves can vary from each other considerably as shown in Figure 1 [1]. The time required to creep test a material to rupture can extend to the order of years. Because of this, a numerical model that can quickly analyze the incomplete results of an ongoing experiment to predict 1) the incomplete portion of the strain/time curve leading up to the rupture point and 2) the rupture point itself would be of great utility to the materials community. Such a model has the potential to save 1) the time required to finish running the experiment to rupture 2) the associated monetary cost of finishing said experiment. Furthermore, it would be advantageous if the predictive model could give a parametric function modeling strain/time curves for material scientists to investigate the impact of the temperature and stress parameters on the resulting creep behavior. This work introduces a piecewise symbolic regression algorithm to predict the remainder of the strain/time curve. Preliminary results show good model performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Laser Doppler vibrometry for piezoelectric coefficient ($d_{33}$) measurements in irradiated aluminum nitride

Sensors used for experiments in advanced reactors must survive in harsh environments. Few material systems can be used to construct sensors viable for extreme conditions. Aluminum nitride (AlN) is one such material because it has high thermal stability and radiation resistance and sustains good piezoelectric and dielectric properties at high temperatures. In this work, the piezoelectric coefficient $d_{33}$ of the AlN single-crystal with thermal and irradiation damage was investigated using an indirect method with a laser Doppler vibrometer (LDV). Surface electrodes were deposited on the AlN samples, and the vibration response of the samples to an applied voltage was monitored using the LDV as a function of the excitation frequency. The $d_{33}$ estimation was based on the excitation voltage and the thickness-mode displacement extracted from the LDV measurements. Further, six AlN substrates were irradiated with 8 MeV Al 2+ at three fluences (10 15 , 10 16 , and 10 17 ions/cm 2 ) and two temperatures (300 °C and 500 °C). The $d_{33}$ for the six irradiated samples and one pristine sample were measured, and the measurement uncertainty was estimated based on five repeated tests. All samples were also measured by a commercial piezometer for comparison. The experimental results demonstrate that the piezoelectric coefficients obtained by LDV were about 0.8–1.16 pm/V lower than those obtained by the piezometer. With the compensation of the clamping effect, the corrected LDV values are similar to the piezometer results. Both show similar trends in all samples, which validates the feasibility of the proposed method for $d_{33}$ measurement. Based on the LDV results, the irradiated samples show a 12%–22% decrease in $d_{33}$ compared with the pristine samples. The samples irradiated under the same fluence at a higher temperature (500 °C) demonstrated a lower $d_{33}$ than those at 300 °C. The effect of the retro-reflective tape, sample temperature, and sample size on the $d_{33}$ measurement were also studied.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reproducibility of Radiokrypton in Deep Desert Aquifers: Insights from a Decade of Research

Great technical advances have been achieved since the first atom-trap trace analysis (ATTA) -based radiokrypton application in Egypt, where 1 Myr old groundwater was discovered. Beyond advances in ATTA measurement capabilities, including reduction in sample size, analysis duration, and analytical uncertainty, major progress has been achieved over the past two decades in the sample collection and preparation techniques. These advances paved the expansion of ATTA-based noble gas applications to many other aquifers worldwide, illuminating the nature and flow pattern of deep groundwater systems. While the potential of this new analytical technique for old groundwater dating is well recognized, another important aspect yet to be examined is the reproducibility of radiokrypton in aquifers over time, i.e., how representative is a discrete groundwater sample, collected at a specific time and location, for the natural groundwater system? The likelihood of a negative answer is increased by flow-field disturbance in aquifers following massive groundwater abstraction. Here, in this work, we present repeated 81 Kr sampling and measurements in twenty-one sites over Israel, mostly of deep (up to 1 km) wells tapping confined aquifers in the arid to hyperarid Negev desert. The results demonstrate that radiokrypton measurements are indeed reproducible, even in cases where samples were collected as long as nine years apart and from highly productive (∼1 Mm 3 /yr order) pumping wells. Furthermore, many of the repeated measurements in this study (17 out of the 21 sites) were conducted with different ATTA Instruments in two different laboratories using slightly different sampling, preparation, and analysis techniques, yet with an overall good agreement. The consistency in the ATTA-based 81 Kr-dating results over time highlights the robustness of this state-of-the-art technique as a tool to unravel groundwater flow patterns and encourages further applications to many other yet-to-be-explored deep aquifers.

atom-trap trace analysis↗
DOE OSTI2022

Savannah River National Laboratory Participation in the International Atomic Energy Agency CPC Interlaboratory Comparison Exercise 2

International Atomic Energy Agency Safeguards Analytical Services (IAEA-SGAS) oversees coordinating the second Controlled Potential Coulometry Quality Control Interlaboratory Comparison (CPC QC ILC) on behalf of the Nuclear Material Laboratory (NML). The purpose of the exercise is to: (1) verify the ability of participating laboratories to measure the Pu concentration in the sample solutions, and (2) estimate the method performance (repeatability and intermediate reproducibility). Sample shipping coordination was performed by IAEA-SGAS. The test sample is a plutonium nitrate solution (estimated molarity of 3-5 M), delivered in two PTFE screw-capped quartz ampoules. Each participating laboratory is to receive two ampoules. Each ampoule holds approximately 8 mL of solution containing approximately 10 mg Pu/g. The gross weights of the ampoules were provided. The test sample is assumed to have an iron content below the level of significance for the CPC. The isotopic composition of the plutonium test sample was provided; however, no analysis date was provided. In addition, IAEA-SGAS provided analytical instructions to participants. On September 20, 2022, SRNL received the samples sent by IAEA-SGAS.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Advancements in reflected target nonintrusive assessment (ReTNA) for large optical surface measurement

Reflected computer vision targets are a powerful tool for measurement of mirror surface shape, with several important advantages over traditional fringe deflectometry methods. This method was first presented in 2021 and has undergone significant improvement and demonstration since. We describe a new baseline system using reflected computer vision targets, and present results from a large-scale measurement campaign conducted on both commercial heliostats and test mirrors in the laboratory. Calibration of the measurement system with photogrammetry allows for accurate measurement without careful control of target shape or camera position. Overall, the results show that a baseline setup using this method achieves measurement uncertainties in the slope error root-mean-square less than ±0.11 milliradian due to a series of repeatability conditions, varying sample position, rotation, lighting, camera settings, and system rebuild and recalibration. We present a detailed description of the setup, the results generated by this measurement tool, repeated measurement results, and the strengths and limitations of this metrology system.

14 SOLAR ENERGY↗
DOE OSTI2023

The Demographics, Stellar Populations, and Star Formation Histories of Fast Radio Burst Host Galaxies: Implications for the Progenitors

We present a comprehensive catalog of observations and stellar population properties for 23 highly secure host galaxies of fast radio bursts (FRBs). Our sample comprises 6 repeating FRBs and 17 apparent nonrepeaters. We present 82 new photometric and 8 new spectroscopic observations of these hosts. Using stellar population synthesis modeling and employing nonparametric star formation histories (SFHs), we find that FRB hosts have a median stellar mass of ≈10 9.9 M ⊙ , mass-weighted age ≈5.1 Gyr, and ongoing star formation rate ≈1.3 M ⊙ yr -1 but span wide ranges in all properties. Classifying the hosts by degree of star formation, we find that 87% (20 of 23 hosts) are star-forming, two are transitioning, and one is quiescent. The majority trace the star-forming main sequence of galaxies, but at least three FRBs in our sample originate in less-active environments (two nonrepeaters and one repeater). Across all modeled properties, we find no statistically significant distinction between the hosts of repeaters and nonrepeaters. However, the hosts of repeating FRBs generally extend to lower stellar masses, and the hosts of nonrepeaters arise in more optically luminous galaxies. While four of the galaxies with the clearest and most prolonged rises in their SFHs all host repeating FRBs, demonstrating heightened star formation activity in the last ≲100 Myr, one nonrepeating host shows this SFH as well. Our results support progenitor models with short delay channels (i.e., magnetars formed via core-collapse supernova) for most FRBs, but the presence of some FRBs in less-active environments suggests a fraction form through more delayed channels.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Low cost switching circuit for van der Pauw resistivity and Hall measurements at various temperatures

The electrical characterization of materials, particularly superconductors, semiconductors, and those undergoing metal-insulator transitions (MITs), relies significantly on resistivity and Hall measurements as a function of temperature. The van der Pauw four-point probe method is commonly used for such measurements, which involves resistance measurements for different circuit configurations connected to sample contacts. However, repeating these measurements at different temperatures is challenging and time consuming. Here, this study introduces a novel approach utilizing a switching circuit controlled by an Arduino device and a LabVIEW program to automate resistance measurements for different electrical configurations. The effectiveness of this setup was demonstrated by testing V 2 O 3 thin film samples deposited on Al 2 O 3 (001) substrates using DC magnetron sputtering. The MIT temperature of the sample was 115 K during heating and 100 K during cooling. The sample exhibited p-type charge carriers with a Hall coefficient of 1.3 ± 0.1 x 10 -4 cm 3 /C and Hall mobility of 1.7 x 10 -1 cm 2 /V∙s, which is consistent with findings from other studies employing commercial equipment.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cracking Behavior of Irradiated Ex-Plant Materials

The cracking behavior of reactor core internal materials is a key factor for the long-term safety and availability of light water reactors. Subject to high-temperature coolant, thermal and mechanical loading, and neutron irradiation, reactor core internal materials are susceptible to several degradation mechanisms during power operation. To understand the long-term effects of neutron irradiation, irradiated materials harvested from a decommissioned reactor were studied for their cracking susceptibility and fracture resistance. Small compact-tension specimens were machined from different locations on the baffle plates with irradiation doses ranging from 0.06 to 48.5 dpa. Crack growth rate and fracture toughness J-resistance (J-R) curve tests were performed on these specimens in a simulated light water reactor environment, and the fracture morphologies of the tested samples were examined with a scanning electron microscope. All samples behaved similarly under cyclic loading, and no deteriorated corrosion-fatigue behavior was observed in the test environments. Under constant load, no elevated cracking susceptibility was observed either in these samples at low stress intensity factors. However, a rapid cracking behavior featuring very high crack growth rates was observed in several high-dose samples. This rapid crack growth behavior was activated when the applied stress intensity factor, K, was sufficiently high. Once activated, the rapid crack growth remained steady even when the K was lowered to the pre-activation level and stopped only when the K was reduced drastically. Yet, the rapid crack growth could be re-activated repeatedly in these samples by raising the K above the initial activation level. This rapid cracking response may be related to the severe irradiation embrittlement experienced by these samples. The J-R curve tests performed with these samples showed a significant decline in fracture toughness with increasing neutron irradiation. Local cracking at the crack tip facilitated by the severe irradiation embrittlement of this material may be responsible for the rapid crack growth behavior demonstrated by this decommissioned material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

De novo design of protein homodimers containing tunable symmetric protein pockets

Function follows form in biology, and the binding of small molecules requires proteins with pockets that match the shape of the ligand. For design of binding to symmetric ligands, protein homo-oligomers with matching symmetry are advantageous as each protein subunit can make identical interactions with the ligand. Here, we describe a general approach to designing hyperstable C2 symmetric proteins with pockets of diverse size and shape. We first designed repeat proteins that sample a continuum of curvatures but have low helical rise, then docked these into C2 symmetric homodimers to generate an extensive range of C2 symmetric cavities. We used this approach to design thousands of C2 symmetric homodimers, and characterized 101 of them experimentally. Of these, the geometry of 31 were confirmed by small angle X-ray scattering and 2 were shown by crystallographic analyses to be in close agreement with the computational design models. These scaffolds provide a rich set of starting points for binding a wide range of C2 symmetric compounds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Multiscale Molecular Dynamics Simulations: Accelerating Conformational Sampling of Biomolecular Systems by Iterating All-Atom and Coarse-Grained Simulations

We developed the atomistic-coarse-grained multiscale MD simulation method in the OpenMM simulation package by iterating between the all-atom (AA) and coarse-grained (CG) MD simulations to enhance the sampling of biomolecular conformations. As the free energy surfaces are flattened during CG MD simulations, we can accelerate the transitions between different low-energy conformations. The AA-CG-AA cycles are repeated, facilitating the accelerated sampling of biomolecular conformations at a CG level, while the finer atomistic interactions are refined with AA simulators.

Do, Hung Nguyen↗
DOE OSTI2019

Optimization of a Method To Quantify Soil Bacterial Abundance by Flow Cytometry

ABSTRACT Bacterial abundance is a fundamental metric for understanding the population dynamics of soil bacteria and their role in biogeochemical cycles. Despite its importance, methodological constraints hamper our ability to assess bacterial abundance in terrestrial environments. Here, we aimed to optimize the use of flow cytometry (FCM) to assay bacterial abundances in soil while providing a rigorous quantification of its limitations. Soil samples were spiked with Escherichia coli to evaluate the levels of recovery efficiency among three extraction approaches. The optimized method added a surfactant (a tetrasodium pyrophosphate [TSP] buffer) to 0.1 g of soil, applied an intermediate degree of agitation through shaking, and used a Nycodenz density gradient to separate the cells from background debris. This procedure resulted in a high (average, 89%) level of cell recovery. Recovery efficiencies did not differ significantly among sites across an elevation gradient but were positively correlated with percent carbon in the soil samples. Estimated abundances were also highly repeatable between technical replicates. The method was applied to samples from two field studies and, in both cases, was sensitive enough to detect treatment and site differences in bacterial abundances. We conclude that FCM offers a fast and sensitive method to assay soil bacterial abundance from relatively small amounts of soil. Further work is needed to assay differential biases of the method across a wider range of soil types. IMPORTANCE The ability to quantify bacterial abundance is important for understanding the contributions of microbial communities in soils, but such assays remain difficult and time-consuming. Flow cytometry offers a fast and direct way to count bacterial cells, but several concerns remain in applying the technique to soils. This study aimed to improve the efficiency of the method for soil while quantifying its limitations. We demonstrated that an optimized procedure was sensitive enough to capture differences in bacterial abundances among treatments and ecosystems in two field studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Substrate, temperature, and geographical patterns among nearly 2000 natural yeast isolates

Yeasts have broad importance as industrially and clinically relevant microbes and as powerful models for fundamental research, but we are only beginning to understand the roles yeasts play in natural ecosystems. Yeast ecology is often more difficult to study compared to other, more abundant microbes, but growing collections of natural yeast isolates are beginning to shed light on fundamental ecological questions. In this work, we used environmental sampling and isolation to assemble a dataset of 1962 isolates collected from throughout the contiguous United States of America (USA) and Alaska, which were then used to uncover geographic patterns, along with substrate and temperature associations among yeast taxa. We found some taxa, including the common yeasts Torulaspora delbrueckii and Saccharomyces paradoxus, to be repeatedly isolated from multiple sampled regions of the USA, and we classify these as broadly distributed cosmopolitan yeasts. A number of yeast taxon-substrate associations were identified, some of which were novel and some of which support previously reported associations. Further, we found a strong effect of isolation temperature on the phyla of yeasts recovered, as well as for many species. We speculate that substrate and isolation temperature associations reflect the ecological diversity of and niche partitioning by yeast taxa.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Evaluating Photocatalysts Using Gamma Radiation

A large amount of attention has been given to photocatalysts using UV radiation as the source of excitation; however, little work has been done to study photocatalysis using higher energy excitation sources, such as gamma or x-rays. During excitation, the photocatalyst absorbs light to produce electron-hole pairs (excitons). These excitons can react with absorbed species to yield reactive radical species that can degrade compounds or induce redox (oxidation-reduction) reactions. Common examples of semiconductor photocatalysts include: TiO{sub 2}, ZnO, Fe{sub 2}O{sub 3}, ZrO{sub 2}, and SnS. This project was conducted to investigate the photocatalytic oxidation of iron using gamma irradiation and several different semiconductor photocatalysts. Photometric Measurements: Photometric determination of Fe{sup II} and Fe{sup III} were made using a Cary 60 UV-Vis Spectrometer over a range of 800 - 200 nm at a scan rate of 60 nm/sec. Ferric (Fe{sup III}) ions have no detectable UV-vis spectrum, thus the absence of a peak in iron-based samples was taken as evidence of Fe{sup III} formation. Solution Preparation: Iron II (Fe{sup II}) standards were made by dissolving FeCl{sub 2}.6H{sub 2}O in deionized water using a sonicator. A solution of 1,10- phenanthroline was made by adding 40 mg of 1,10-phenanthroline to 20 mL of deionized water and sonicating for 60 minutes until a clear solution was obtained. Gamma Radiation Tests: Irradiated samples were exposed to Co-60 gamma radiation (1.17 MeV gamma) at a dose rate of ∼1 x 10{sup 5} Rad/hr Co-60. All samples were irradiated in glass scintillation vials. The presence of 30 mg of SnS reduces the amount of Fe{sup II} in solutions under gamma irradiation relative to samples with no SnS added. Fe{sup II} concentration decreases as irradiation time increases. This effect is enhanced when SnS is present. Fe{sup II} appears to decrease linearly with time. We found that the addition of SnS semiconductor, when combined with gamma radiation, oxidized more Fe{sup II} in the FeCl{sub 2} solution than gamma radiation alone. This suggests that SnS can be used as a photocatalyst using gamma radiation as the excitation source, although more detailed experiments are needed to confirm this belief. The next phase of this project would be to refine the preliminary results by determining exact quantities of SnS semiconductor and gamma radiation that induce sufficient redox. Repeated experiments with more samples could also give more data points for a chance at more representative and accurate data with error bars and standard deviations. Also, other semiconductors could possibly be tested to see how their effect on redox chemistry compares to that of SnS. The scope of this project could also be extended to include other metal or organic solutions to see if similar redox could be obtained.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗