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At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unraveling the ecological success of Iodidimonas in a bioreactor treating oil and gas produced water

Iodidimonas sp., a bacterium found in bioreactors treating oil and gas produced water as well as iodide-rich brines, has garnered attention for its unique ability to oxidize iodine. However, little is known about the metabolic capabilities that enable Iodidimonas sp. to thrive in certain unique ecological niches. In this study, we isolated, characterized, and sequenced three strains belonging to the Iodidimonas genus from the sludge of a membrane bioreactor used for produced water treatment. We investigated the genomic features of these isolates and compared them with the four publicly available isolate genomes from this genus, as well as a metagenome-assembled genome from the source bioreactor. Our Iodidimonas isolates had several genes associated with mitigating salinity, heavy metal, and organic compound stress, which likely help these bacteria to survive in produced water. Phenotyping tests revealed that while the isolates could utilize a wide variety of simple carbon substrates, they failed to degrade aliphatic or aromatic hydrocarbons, consistent with the lack of genes associated with common hydrocarbon degradation pathways in their genomes. We hypothesize that these microbes may lead a scavenging lifestyle in the bioreactor and similar iodide-rich brines. IMPORTANCE: Occupying a niche habitat and having few representative isolates, the genus Iodidimonas is a relatively understudied alphaproteobacterial group. Its ability to corrode pipes in iodine production facilities has economic implications, and its ability to generate potentially carcinogenic iodinated organic compounds during treatment of oil and gas produced water may cause environmental and health concerns with the recycling of treated water. Therefore, detailed characterization of the metabolic potential of the Iodidimonas isolates in this study both sheds light on their adaptation to the environmental conditions they inhabit and has environmental and economic significance.

Acharya, Shwetha M↗
DOE OSTI2025

Storage Stability of 50% Biodiesel Blends and Neat Biodiesel Produced in North America

This study investigated aging of two petroleum diesel, seven B100, three B20 blends, and 14 B50 blends representing the full range of fuels in the North American market for 12-weeks at 43 degrees Celsius under the ASTM D4625 accelerated aging protocol. Twelve-weeks under D4625 aging represents approximately 12 months of storage time in clean, dry conditions. Samples were taken every two weeks for measurement of Rancimat induction period (IP), peroxide content, and TAN; and total insoluble were measured at the end of the 12-week test.

09 BIOMASS FUELS↗
DOE OSTI2021

Evaluation of Formate Salt PCM’s for Latent Heat Thermal Energy Storage

This work examines formate salts as potential phase change materials (PCMs) for middle-high temperature (≤250 °C) latent heat thermal energy storage applications. The thermophysical properties of three formate salts were characterized: pure sodium formate and binary blends of sodium/potassium formate and sodium/calcium formate. The stability of formate PCM’s was evaluated by thermal cycling using differential scanning calorimetry where sodium formate and sodium/potassium formate appeared stable over 600 cycles, while sodium/calcium formate exhibited a monotonic decrease in heat of fusion over the test period. A longer test with sodium formate led to gas release and decomposition of the salt. FTIR analysis of the PCM showed degradation of formate to oxalate. T-history experiments with 50-g PCM quantities demonstrated a bulk supercooling of only 2–3 °C for these salts. Thermal conductivity enhancement of over 700% was achieved by embedding aluminum in the solid PCM. Finally, mild carbon steel was immersed in molten sodium formate for up to 2000 h. Sodium formate was found to be non-corrosive, as calculated by mass loss and confirmed by cross-sectional high-resolution microscopy. FTIR analysis of the PCM after 2000 h shows oxidation at the free surface, while the bulk PCM remained unchanged, further indicating a need to protect the formate from atmospheric exposure when used as a PCM.phase change materials; formate salts; latent heat thermal energy storage; thermal cycling; supercooling; thermal conductivity enhancement; corrosion

25 ENERGY STORAGE↗
DOE OSTI2021

The Hubble PanCET Program: A Metal-rich Atmosphere for the Inflated Hot Jupiter HAT-P-41b

We present a comprehensive analysis of the 0.3–5 μm transit spectrum for the inflated hot Jupiter HAT-P-41b. The planet was observed in transit with Hubble STIS and WFC3 as part of the Hubble Panchromatic Comparative Exoplanet Treasury (PanCET) program, and we combine those data with warm Spitzer transit observations. We extract transit depths from each of the data sets, presenting the STIS transit spectrum (0.29–0.93 μm) for the first time. We retrieve the transit spectrum both with a free-chemistry retrieval suite (AURA) and a complementary chemical equilibrium retrieval suite (PLATON) to constrain the atmospheric properties at the day–night terminator. Both methods provide an excellent fit to the observed spectrum. Both AURA and PLATON retrieve a metal-rich atmosphere for almost all model assumptions (most likely O/H ratio of log{sub 10}Z/Z{sub ⊙}=1.46{sub −0.68}{sup +0.53} and log{sub 10}Z/Z{sub ⊙}=2.33{sub −0.25}{sup +0.23}, respectively); this is driven by a 4.9σ detection of H{sub 2}O as well as evidence of gas absorption in the optical (>2.7σ detection) due to Na, AlO, and/or VO/TiO, though no individual species is strongly detected. Both retrievals determine the transit spectrum to be consistent with a clear atmosphere, with no evidence of haze or high-altitude clouds. Interior modeling constraints on the maximum atmospheric metallicity (log{sub 10}Z/Z{sub ⊙}<1.7) favor the AURA results. The inferred elemental oxygen abundance suggests that HAT-P-41b has one of the most metal-rich atmospheres of any hot Jupiters known to date. Overall, the inferred high metallicity and high inflation make HAT-P-41b an interesting test case for planet formation theories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

BERYLLIUM DETECTION BY FLUORESCENT SPECTROSCOPY

Facilities that machine and process materials involving beryllium oxide are hazardous to workers safety and require monitoring of contamination. A primary goal in industrial worker safety in beryllium containing facilities is avoiding inhalation, which may cause chronic beryllium disease (CBD). Decontamination is labor intensive due to the miniscule size of beryllium dust and the difficulty of detecting its presence on surfaces. Current methods of beryllium detection, while successful, involve numerous intermediate steps such as obtaining wipe samples, applying buffers, centrifuging with ammonium bifluoride, additives to reduce influence of other competing metal ions, and require potentially long wait times of around 24 hours for a single surface sample. In some cases, these samples must be sent to testing facilities across the country and results may not be available for days. Therefore, for the purposes of this study, it has been deemed important to test new fluorescent dyes that can rapidly produce a beryllium presence confirmation via application spray.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Stable yet hydrophilic graphene oxide nanomembranes by zwitterionic reduction for dye desalination

Holey graphene oxide (HGO) nanosheets have emerged as a promising membrane platform for dye desalination, and they must be reduced to enhance hydrophobicity and stability for long-term underwater operation, which usually decreases water and salt permeance. Herein, we develop a facile method to stabilize HGO nanosheets while retaining their hydrophilicity by reducing them with sulfobetaine amine (SBAm, a superhydrophilic zwitterion), achieving high water and salt permeance and a high salt/dye separation factor. Specifically, HGO nanosheets react with SBAm via an amine-epoxide reaction, rendering reduced HGO nanosheets containing superhydrophilic zwitterions. The effects of in-plane pores, zwitterion content, and layer thickness on the membrane chemistry, structure, and salt/dye separation properties of the SBAm-reduced HGOs (SHGOs) are thoroughly examined. The membrane achieves a Na 2 SO 4 /Direct red separation factor of up to 850, surpassing the state-of-the-art GO membranes. Moreover, hollow fiber membrane modules based on SHGOs are fabricated and exhibit stable performance in multi-cycle tests over 100 h of operation with mixed dye-salt solutions, demonstrating the scalability of our approach and its potential for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Low Temperature Oxidation of Methylpropyl Ether

Ethers are potential high-performance fuels that can be produced from renewable carbon sources such as biomass, but their combustion properties are not clearly understood. The cetane numbers (CN) for ethers, a measure of autoignition tendency, can range from less than 10 to greater than 100, and predictive tools based upon the molecular structures are desirable in order to focus fuel development research. In this study, we used molecular modeling, chemical kinetic modeling, and experimental measurements to understand the important reactions that lead to the autoignition of methylpropyl ether (MPE), a model for ethers containing alkyl chains long enough for intramolecular hydrogen transfer. These reactions are known to be important in the autoignition of alkanes and ethers and we propose to investigate the relationship between alkyl and ether reaction pathways. A reaction mechanism for MPE was created using MIT's Reaction Mechanism Generator (RMG) and G4 quantum calculation results and models were tested using the ChemKin Pro suite of software. Results from atmospheric pressure, flow tube reactor experiments and rapid compression machine (RCM) experiments were used to test the kinetic model and suggest refinements.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Designing Advanced Electrolytes for High-Voltage High-Capacity Disordered Rocksalt Cathodes

Lithium (Li)-excess transition metal oxide materials which crystallize in the cation-disordered rock salt (DRX) structure are promising cathodes for realizing low-cost, high-energy-density Li batteries. However, the state-of-the-art electrolytes for Li-ion batteries cannot meet the high-voltage stability requirement for high-voltage DRX cathodes, thus new electrolytes are urgently demanded. It has been reported that the solvation structures and properties of the electrolytes critically influence the performance and stability of the batteries. In this study, the structure–property relationships of various electrolytes with different solvent-to-diluent ratios are systematically investigated through a combination of theoretical calculations and experimental tests and analyses. This approach guides the development of electrolytes with unique solvation structures and characteristics, exhibiting high voltage stability, and enhancing the formation of stable electrode/electrolyte interphases. These electrolytes enable the realization of Li||Li 1.094 Mn 0.676 Ti 0.228 O 2 (LMTO) DRX cells with improved performance compared to the conventional electrolyte. Specifically, Li||LMTO cells with the optimized advanced controlled-solvation electrolyte deliver higher specific capacity and longer cycle life compared to cells with the conventional electrolyte. Additionally, the investigation into the structure–property relationship provides a foundational basis for designing advanced electrolytes, which are crucial for the stable cycling of emerging high-voltage cathodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Experimental Images and Videos of Foam Stability (Half-life)

The experimental data obtained in this project is the thermal stability data of various foams measured using the setup established at Temple University during this study. The setup is installed with a portable digital camera which can take images and videos of foam evolution at a given pressure and temperature condition. Consequently, the half-life data was recorded from the images/videos, which are used as a measure of the thermal stability for foams. Over the 3 years of this project, four different surfactants and five different stabilizing agents were studied. The surfactants are, Alfa Olefin Sulfonate (AOS), Sodium Dodecyl Sulphate (SDS), Tergitol (NP-40), and Cetyltrimethylammonium chloride (CTAC). The stabilizing agents are, guar gum, bentonite clay, crosslinking agents, silicon dioxide nanoparticles (60 to 70nm), and graphene oxide dispersions. Foam stability was evaluated at different temperatures between 100C and 200cC, while the foam generation pressure varied between atmospheric pressure (14.7 psi) and 1000 psi. The images are saved as .jpg file and videos are saved as .avi files.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Experimental Studies of Low-Load Limit in a Stoichiometric Micro-Pilot Diesel Natural Gas Engine

While operating at light loads, diesel pilot-ignited natural gas engines with lean premixed natural gas suffer from poor combustion efficiency and high methane emissions. This work investigates the limits of low-load operation for a micro-pilot diesel natural gas engine that uses a stoichiometric mixture to enable methane and nitrogen oxide emission control. By optimizing engine hardware, operating conditions, and injection strategies, this study focused on defining the lowest achievable load while maintaining a stoichiometric equivalence ratio and with acceptable combustion stability. A multi-cylinder diesel 6.7 L engine was converted to run natural gas premix with a maximum diesel micro-pilot contribution of 10%. With a base diesel compression ratio of 17.3:1, the intake manifold pressure limit was 80 kPa(absolute). At a reduced compression ratio of 15:1, this limit increased to 85 kPa, raising the minimum stable load. Retarding the combustion phasing, typically used in spark-ignition engines to achieve lower loads, was also tested but found to be limited by degraded diesel ignition at later timings. Reducing the pilot injection pressure improved combustion stability, as did increasing pilot quantity at the cost of lower substitution ratios. The lean operation further reduced load but increased NOx and hydrocarbon emissions. At loads below the practical dual-fuel limit, a transition to lean diesel operation will likely be required with corresponding implications for the aftertreatment system.

03 NATURAL GAS↗
DOE OSTI2021

A novel defoamer for processing nuclear waste: Testing and performance

Abstract Legacy radioactive waste from nuclear weapons material processing is the biggest environmental challenge in the state of South Carolina, and one of the biggest in the United States. Although substantial progress has been made in processing and vitrifying high‐level radioactive waste at the Savannah River site, approximately 35 million gallons remains to be treated and dispositioned. In this article, we show the development of a new defoamer for use in the processing of high‐level radioactive waste. The application of the new defoamer is not only more effective at controlling foam but will shorten the batch processing time leading to safer and more efficient processing. This has the potential to help shorten the overall site mission lifetime, saving the federal government hundreds of millions of dollars. The novel aspect of the new defoamer is its effectiveness and stability in the harsh conditions needed for processing high‐level radioactive waste: high temperatures, pH 4–13, strong oxidizing and reducing agents, and numerous metal catalysts. The defoamer will replace an existing antifoam agent that decomposes to form multiple flammable gases. Because the existing antifoam agent decomposes quickly, processing changes increased processing time. Statement of novelty We demonstrate that a new defoamer has been developed for use in processing high‐level radioactive waste. This novel defoamer is effective and stable in the harsh processing conditions with no detectable flammable by‐products. Because the existing antifoam agent decomposes quickly, processing changes, including lowering acid addition rates and evaporation rates, increased processing time. The new defoamer is not only more effective at controlling foam but will shorten the batch processing time and lead to safer and more efficient processing by eliminating the production of flammable gases. Statement of industrial relevance Foaming is of great concern in many industrial processes involving three‐phase gas/liquid/fine‐solids systems, like in water evaporation, mineral floatation, air sparging in situ remediation techniques, and in those found in the paper industry.

Lambert, Dan P.↗
DOE OSTI2022

Electrical passivation of III-V multijunction solar cells with luminescent coupling effect

Perimeter recombination is one of the causes identified for having a nonuniform luminescent coupling effect in III-V multijunction solar cells. A potential solution could be the electrical passivation of the multijunction solar cell perimeter. To test this hypothesis, electrical passivation of InGaP/GaAs/Ge 3-junction solar cells was done by the atomic layer deposition of thin Al2O3 films. Further, perimeter passivation of a 3-junction solar cell relatively increased current collection measured at luminescent coupling and direct subcell excitation by as much as 11.4% and 29.8%, respectively. Meanwhile, the current homogeneity improved relatively by as much as 7.9% after electrical passivation. At 1-sun global standard illumination (AM 1.5G), 0.2% absolute conversion efficiency increase was achieved. Therefore, electrical passivation of fully working III-V multijunction solar cells is a non-invasive, post-treatment process that can recover losses due to surface defects caused by oxidation.

14 SOLAR ENERGY↗
DOE OSTI2021

Grid-to-rod fretting wear study of SiC/SiC composite accident-tolerant fuel claddings using an autoclave fretting bench test

Grid-to-rod-fretting (GTRF) in pressurized water reactors (PWRs) is known to cause wear and surface damage on the fuel claddings, potentially leading to radioactive leakage. One of the accident-tolerant fuel (ATF) concepts is to use advanced cladding materials that could withstand higher temperatures. Here, we investigated the wear behavior of candidate silicon carbide (SiC)-based composite claddings with different levels of surface finish in fretting against a commercial ZIRLO alloy grid using a unique bench-scale autoclave GTRF rig. The experiments mimicked the environment in an industrial full-assembly PWR simulator. Fretting tests were conducted with a realistic load (~0.5 N) in deionized water under a pressure of 20–23 bar at 204 °C for 100 h. While the SiC/SiC composite claddings showed significantly higher wear resistance than the commercial ZIRLO alloy cladding as expected, the smoother versions experienced surprisingly higher wear than the much softer counterface, ZIRLO grid. The wear mechanism of the SiC/SiC cladding was attributed to the SiC wear debris that was trapped at the fretting interface causing both 3-body and 2-body (embedded into the grid surface) abrasion of the cladding. Rougher SiC/SiC claddings had less material loss but caused more wear on the ZIRLO grid. Finally, pre-oxidized ZIRLO grid showed better compatibility with the SiC/SiC cladding to protect both the cladding and grid as a result of reduced wear debris trapping.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improving the oxygen redox reversibility of Li-rich battery cathode materials via Coulombic repulsive interactions strategy

The oxygen redox reaction in lithium-rich layered oxide battery cathode materials generates extra capacity at high cell voltages (i.e., >4.5 V). However, the irreversible oxygen release causes transition metal (TM) dissolution, migration and cell voltage decay. To circumvent these issues, we introduce a strategy for tuning the Coulombic interactions in a model Li-rich positive electrode active material, i.e., Li 1.2 Mn 0.6 Ni 0.2 O 2 . In particular, we tune the Coulombic repulsive interactions to obtain an adaptable crystal structure that enables the reversible distortion of TMO 6 octahedron and mitigates TM dissolution and migration. Moreover, this strategy hinders the irreversible release of oxygen and other parasitic reactions (e.g., electrolyte decomposition) commonly occurring at high voltages. When tested in non-aqueous coin cell configuration, the modified Li-rich cathode material, combined with a Li metal anode, enables a stable cell discharge capacity of about 240 mAh g -1 for 120 cycles at 50 mA g -1 and a slower voltage decay compared to the unmodified Li 1.2 Mn 0.6 Ni 0.2 O 2 .

25 ENERGY STORAGE↗
DOE OSTI2020

Deep learning of interface structures from simulated 4D STEM data: cation intermixing vs. roughening ∗

Abstract Interface structures in complex oxides remain an active area of condensed matter physics research, largely enabled by recent advances in scanning transmission electron microscopy (STEM). Yet the nature of the STEM contrast in which the structure is projected along the given direction precludes separation of possible structural models. Here, we utilize deep convolutional neural networks (DCNN) trained on simulated 4D STEM datasets to predict structural descriptors of interfaces. We focus on the widely studied interface between LaAlO 3 and SrTiO 3 , using dynamical diffraction theory and leveraging high performance computing to simulate thousands of possible 4D STEM datasets to train the DCNN to learn properties of the underlying structures on which the simulations are based. We test the DCNN on simulated data and show that it is possible (with >95% accuracy) to identify a physically rough from a chemically diffuse interface and create a DCNN regression model to predict step positions. We quantify the applicability of the model to different thicknesses and the transferability of the approach. The method shown here is general and can be applied for any inverse imaging problem where forward models are present.

42 ENGINEERING↗
DOE OSTI2022

A Simplified Numerical Approach to Characterize the Thermal Response of a Moving Bed Solar Reactor

Abstract Concentrated solar thermochemical storage in the form of a zero-emission fuel is a promising option to produce long-duration energy storage. Solar fuel is produced using a cavity reactor that captures concentrated solar radiation from a solar field of heliostats. In this paper, heat transfer model of a tubular plug-flow reactor designed and manufactured for a solar fuel production is presented. Experimental data collected from a fixed bed tubular reactor testing are used for model comparison. The system consists of an externally heated tube with counter-current flowing gas and moving solid particles as the heated media. The proposed model simulates the dynamic behavior of temperature profiles of the tube wall, gas, and particles under various gas flowrates and residence times. The heat transfer between gas–wall, solid particle–wall, and gas–solid particle is numerically studied. The model results are compared with the results of experiments done using a 4 kW furnace with a 150 mm heating zone surrounding a horizontal alumina tube (reactor) with 50.8 mm outer diameter and thickness of 3.175 mm. Solid fixed particles of magnesium manganese oxide (MgMn2O4) with the size of 1 mm are packed within the length of 250 mm at the center of the tube length. Simulation results are assessed with respect to fixed bed experimental data for four different gas flowrates, namely, 5, 10, 15, and 20 standard liters per minute of air, and furnace temperatures in the range of 200–1200 °C. The simulation results showed good agreement with maximum steady state error that is less than 6% of those obtained from the experiments for all runs. The proposed model can be implemented as a low-order physical model for the control of temperature inside plug-flow reactors for thermochemical energy storage applications.

Engineering↗
DOE OSTI2024

A Multiphysics Multiscale Simulation Platform for Damage, Environmental Degradation, and Life Prediction of CMCs in Extreme Environments

This project successfully developed a multiphysics, multiscale computational framework to enhance the design and development of CMCs, with a focus on modeling highly nonlinear, time-dependent damage mechanisms and material degradation under extreme conditions, such as those experienced in turbine service environments. The project made significant advances in improving our understanding of progressive damage, oxidative degradation, and time-dependent inelastic deformation in CMCs, with particular attention to the role of uncertainties in predictions. Key outcomes include the integration of advanced material characterization, uncertainty quantification, and multiphysics constitutive models to predict the behavior of CMCs over their service life. A novel multiscale methodology was employed, which integrated microscale constituent behaviors with structural-scale responses, enabling the manufacturing defects in the microstructure that are prone to damage nucleation. Through the development of DL algorithms, the project advanced the prediction of damage initiation and crack propagation, taking into account the defect morphology and statistical variations across multiple scales. The framework was rigorously validated using thermomechanical experiments, which tested CMCs under various mechanical loadings at elevated temperatures, further enhancing the model's predictive capability. Overall, the research outcomes have provided a more accurate, reliable method for predicting CMC component life, significantly advancing material design, and improving component reliability in extreme environments. This work has strong implications for the optimization of turbine components and other high-performance applications where CMCs are used.

03 NATURAL GAS↗
DOE OSTI2025

Ion-Exchange Membrane-Centric Durability Testing and Degradation Characterization for Industry-Relevant CO 2 Reduction

Electrochemical CO 2 reduction is a promising conversion process for producing value-added fuels and chemicals from electricity and CO 2 as a sustainable carbon feedstock to domestically produce fuels and chemicals from industrial waste. Having reached industrially viable performance metrics with small-scale CO 2 electrolysis cells, the field must now increasingly focus on extending the device durability of large stacks to achieve equivalent metrics for 35,000+ hours to decrease maintenance and capital costs. Reported device lifetimes have increased in recent years, with the longest stability studies for CO, ethylene, and formic acid production being published in 2024–2025 with operation times of 4500, 1000, and 5200 h, respectively. Unfortunately, significant extension of the device durability is still required. Here, we provide an overview of ion-exchange membranes (IEMs) and provide insight into the variety of degradation mechanisms that must be overcome to enable the community to meet durability targets. In an effort to accelerate the extension of device lifetimes, we propose a general approach for characterizing CO 2 electrolysis cell degradation before and after durability testing to better elucidate the mechanisms and failure modes of IEMs in zero-gap cells. Furthermore, we encourage the adoption of operando characterizations in tandem with accelerated stress and durability tests, postulating that their combined applications will be increasingly valuable. We hope that this perspective motivates future durability studies to evaluate degradation across the entire electrolysis cell.

09 BIOMASS FUELS↗