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At least 433 records · Page 24

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DOE OSTI2025

Fine‐Tuning Li‐Ion Solvation Structure by Enhanced Solvent‐Diluent Interactions for Long‐Cycling Lithium Metal Batteries

Achieving durable lithium (Li) metal anodes in liquid electrolytes remains challenging, primarily due to the instability of the formed solid-electrolyte interphases (SEIs). Modulating the Li-ion solvation structures is pivotal in forming a stable SEI for stabilizing Li metal anodes. Here a strategy is developed to fine-tune the Li-ion solvation structures through enhanced dipole–dipole interactions between the Li-ion-coordinated solvent and the non-Li-ion-coordinating diluent, for creating a stable SEI in the developed binary salt electrolyte. The enhanced dipole–dipole interactions weaken the coordination between Li-ions and the solvents while strengthening the interaction between Li-ions and dual anions, thereby facilitating the Li-ion transport and a robust anion-derived SEI with a distinct bilayer structure. Consequently, the developed electrolyte exhibited exceptional electrochemical performance in high energy-density Li||LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cells, with long calendar life, stable cyclability at 1 C, and reliable operation between 25 and −20 °C, and it also demonstrat remarkable cycling stability for a Li||NMC811 pouch cell with projected energy density of 402 Wh kg −1 , maintaining 80% capacity retention over 606 cycles under practical conditions.

25 ENERGY STORAGE↗

DOE OSTI2024

Cellular Phosphate Sensing and Anion Binding by an Azacrown‐Calixpyrrole Hybrid

A hybrid receptor-sensor for anions originating from the merging of positively charged ammonium moieties for electrostatic attraction/stronger binding of azacrowns with directionality of calixpyrrole hydrogen bond donors for selectivity is investigated. As demonstrated this hybrid receptor-sensor shows a remarkable selectivity for orthophosphate even in the presence of other phosphates and anions found in cellular materials (K assoc H 2 PO 4 − >H 2 P 2 O 7 2− >AMP − ≫ADP 2− or ATP 3− over halides, nitrate, or hydrogen sulfate; all Na + salts in water) but also cellular polyphosphate or phospholipids. This selectivity is harnessed in a real-time monitoring of cell lysis by lysozyme, which releases orthophosphate and other phosphates and anions from the cells. This sensitive (LOD 0.4 μM) fluorescence-based microscale method compares favorably with the state-of-the-art techniques but can easily be practiced in a high-throughput screening (HTS) manner. The anion binding and selectivity in aqueous solutions were investigated by NMR and put in context with phosphate binding of the parent calix[4]pyrrole. The microscopic understanding of anion binding by the hybrid receptor was then obtained from a combination of density functional theory (DFT), classical molecular dynamics (MD) with explicit water solvation, and ab initio MD (AIMD) simulations. Correlating the NMR and fluorescence binding data with studies of solvation of the receptor, phosphate anion, and the resulting complex confirms the binding is largely driven by entropic component (TΔS) associated with receptor and anion desolvation.

Anions↗

DOE OSTI2025

A systematic review of machine learning in groundwater monitoring

With increasing concerns about water scarcity, groundwater has become crucial since this resource provides most of the freshwater needs. However, various human and natural activities often contaminate the groundwater, making it unsuitable for use. Over the years, scientists and engineers have used many methods to predict and track groundwater contamination as part of environmental monitoring. Consequently, there is an urgent need for improved methods, particularly in the face of increasing contamination. Machine learning has sometimes been used to monitor groundwater, air quality, and climate. Traditional methods must be improved due to the complexity and large amount of environmental data. This includes using hybrid models that combine traditional and new techniques. Despite the use of machine learning in many scientific areas, there is a lack of comprehensive reviews focusing on its use in environmental monitoring, especially groundwater monitoring. We aim to fill this gap by exploring machine-learning applications in groundwater monitoring. We discuss relevant methods, their limitations, and future potential. We summarize research on automating data processing and model training using groundwater sensor data. Our research underscores the transformative potential of machine learning to revolutionize long-term groundwater monitoring and contamination detection, providing valuable insights for future research and practical applications.

AI/ML↗

DOE OSTI2025

Entanglement Benchmarking in Quantum Simulations of Spin Systems

We simulate quantum spin systems and measure entanglement using circuits tailored for near-term quantum computers. Traditional tools like entanglement entropy are limited to pure states and require full state tomography, making them impractical on current hardware. Instead, we employ the novel approach, Positive Partial Transpose (PPT) criterion to efficiently detect pairwise entanglement from two-spin reduced density matrices, applicable to both pure and mixed states. This method enables scalable entanglement detection, providing a practical route to study quantum correlations, phase transitions, and benchmark quantum devices.

Baul, Anshumitra [ORNL] (ORCID:0000000268947191)↗

NASA NTRS1972

Applications of NASTRAN to nuclear problems

The extent to which suitable solutions may be obtained for one physics problem and two engineering type problems is traced. NASTRAN appears to be a practical tool to solve one-group steady-state neutron diffusion equations. Transient diffusion analysis may be performed after new levels that allow time-dependent temperature calculations are developed. NASTRAN piecewise linear anlaysis may be applied to solve those plasticity problems for which a smooth stress-strain curve can be used to describe the nonlinear material behavior. The accuracy decreases when sharp transitions in the stress-strain relations are involved. Improved NASTRAN usefulness will be obtained when nonlinear material capabilities are extended to axisymmetric elements and to include provisions for time-dependent material properties and creep analysis. Rigid formats 3 and 5 proved to be very convenient for the buckling and normal-mode analysis of a nuclear fuel element.

Spreeuw, E.↗

NASA NTRS1975

Comparative evaluation of predicted and measured performance of a 68-cubic meter truncated reverberant noise chamber

The performance of a medium size, truncated reverberation chamber is evaluated in detail. Chamber performance parameters are predicted, using classical acoustic theory, and are compared to results from actual chamber measurements. Discrepancies are discussed in relation to several available empirical corrections developed by other researchers. Of more practical interest is the confirmation of a recent theory stating that the present guide for the ratio of specimen volume to test chamber volume, approximately 10 percent, is overly conservative, and can be increased by a factor of at least 2 and possibly 3. Results and theoretical justification of these findings are presented.

Cyphers, H. D.↗

NASA NTRS1981

Common pressure vessel development for the nickel hydrogen technology

The design of a pressure vessel nickel hydrogen cell is described. The cell has the following key features: it eliminates electrolyte bridging; provides for independent electrolyte management for each unit stack; provides for independent oxygen management for each unit stack; has good heat dissipation; has a mechanically sound and practical interconnection; and has the maximum in common with state of the art individual pressure vessel technology.

Holleck, G.↗

NASA NTRS1988

Applications of surface analysis and surface theory in tribology

Tribology, the study of adhesion, friction and wear of materials is a complex field which requires a knowledge of solid state physics, surface physics, chemistry, material science and mechanical engineering. It has been dominated, however, by the more practical need to make equipment work. With the advent of surface analysis and advances in surface and solid state theory, a new dimension has been added to the analysis of interactions at tribological interfaces. In this paper the applications of tribological studies and their limitations are presented. Examples from research at the NASA Lewis Research Center are given. Emphasis is on fundamental studies involving the effects of monolayer coverage and thick films on friction and wear. A summary of the current status of theoretical calculations of defect energetics is presented. In addition, some new theoretical techniques which enable simplified quantitative calculations of adhesion, fracture and friction are discussed.

Ferrante, John↗

NASA NTRS1996

Assessment of Error in Synoptic-Scale Diagnostics Derived from Wind Profiler and Radiosonde Network Data

A topic of current practical interest is the accurate characterization of the synoptic-scale atmospheric state from wind profiler and radiosonde network observations. We have examined several related and commonly applied objective analysis techniques for performing this characterization and considered their associated level of uncertainty both from a theoretical and a practical standpoint. A case study is presented where two wind profiler triangles with nearly identical centroids and no common vertices produced strikingly different results during a 43-h period. We conclude that the uncertainty in objectively analyzed quantities can easily be as large as the expected synoptic-scale signal. In order to quantify the statistical precision of the algorithms, we conducted a realistic observing system simulation experiment using output from a mesoscale model. A simple parameterization for estimating the uncertainty in horizontal gradient quantities in terms of known errors in the objectively analyzed wind components and temperature is developed from these results.

Mace, Gerald G.↗

NASA NTRS2001

Baseline Testing of The EV Global E-Bike

The NASA John H. Glenn Research Center initiated baseline testing of the EV Global E-Bike as a way to reduce pollution in urban areas, reduce fossil fuel consumption and reduce Operating costs for transportation systems. The work was done Linder the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB). The E-Bike is a state of the art, ground up, hybrid electric bicycle. Unique features of the vehicle's power system include the use of an efficient, 400 W. electric hub motor and a 7-speed derailleur system that permits operation as fully electric, fully pedal, or a combination of the two. Other innovative features, such as regenerative braking through ultracapacitor energy storage are planned. Regenerative braking recovers much of the kinetic energy of the vehicle during deceleration. The E-Bike is an inexpensive approach to advance the state of the art in hybrid technology in a practical application. The project transfers space technology to terrestrial use via nontraditional partners, and provides power system data valuable for future space applications. A description of the E-bike, the results of performance testing, and future vehicle development plans is the subject of this report. The report concludes that the E-Bike provides excellent performance, and that the implementation of ultracapacitors in the power system can provide significant performance improvements.

Eichenberg, Dennis J.↗

NASA NTRS2001

Baseline Testing of the EV Global E-Bike SX

The NASA John H. Glenn Research Center initiated baseline testing of the EV Global E-Bike SX as an update of the state of the art in hybrid electric bicycles. The E-bike is seen as a way to reduce pollution in urban areas, reduce fossil fuel consumption, and reduce operating costs for transportation systems. The work was done under the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB). The SX is a high performance, state of the art, ground up, hybrid electric bicycle. Unique features of the SX's 36 V power system include the use of an efficient, 400 W, electric hub motor, and a seven-speed derailleur system that permits operation as fully electric, fully pedal, or a combination of the two. Other innovative features, such as regenerative braking through ultracapacitor energy storage, are planned. Regenerative braking recovers much of the kinetic energy of the vehicle during deceleration. The E-Bike is an inexpensive approach to advance the state of the art in hybrid technology in a practical application. The project transfers space technology to terrestrial use via nontraditional partners, and provides power system data valuable for future space applications. A description of the SX, the results of performance testing, and future vehicle development plans are given in this report. The report concludes that the SX provides excellent performance, and that the implementation of ultracapacitors in the power system can provide significant performance improvements.

Eichenherg, Dennis J.↗

NASA NTRS2001

Baseline Testing of the Ultracapacitor Enhanced Photovoltaic Power Station

The NASA John H. Glenn Research Center is developing an advanced ultracapacitor enhanced photovoltaic power station. Goals of this effort include maximizing photovoltaic power generation efficiency and extending the life of photovoltaic energy storage systems. Unique aspects of the power station include the use of a solar tracker, and ultracapacitors for energy storage. The photovoltaic power station is seen as a way to provide electric power in remote locations that would otherwise not have electric power, provide independence form utility systems, reduce pollution, reduce fossil fuel consumption, and reduce operating costs. The work was done under the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB), and the E-Bike. The power station complements the E-Bike extremely well in that it permits the charging of the vehicle batteries in remote locations. Other applications include scientific research and medical power sources in isolated regions. The power station is an inexpensive approach to advance the state of the art in power technology in a practical application. The project transfers space technology to terrestrial use via nontraditional partners, and provides power system data valuable for future space applications. A description of the ultracapacitor enhanced power station, the results of performance testing and future power station development plans is the subject of this report. The report concludes that the ultracapacitor enhanced power station provides excellent performance, and that the implementation of ultracapacitors in the power system can provide significant performance improvements.

Eichenberg, Dennis J.↗

NASA NTRS2011

Toward Intelligent Software Defect Detection

Source code level software defect detection has gone from state of the art to a software engineering best practice. Automated code analysis tools streamline many of the aspects of formal code inspections but have the drawback of being difficult to construct and either prone to false positives or severely limited in the set of defects that can be detected. Machine learning technology provides the promise of learning software defects by example, easing construction of detectors and broadening the range of defects that can be found. Pinpointing software defects with the same level of granularity as prominent source code analysis tools distinguishes this research from past efforts, which focused on analyzing software engineering metrics data with granularity limited to that of a particular function rather than a line of code.

Benson, Markland J.↗

NASA NTRS2012

A New Electron Source for Laboratory Simulation of the Space Environment

We have developed a new collimated electron source called the Photoelectron Beam Generator (PEBG) for laboratory and spaceflight applications. This technology is needed to replace traditional cathodes because of serious fundamental weaknesses with the present state of the art. Filament cathodes suffer from numerous practical problems, even if expertly designed, including the dependence of electron emission on filament temperature, short lifetimes (approx 100 hours), and relatively high power (approx 10s of W). Other types of cathodes have solved some of these problems, but they are plagued with other difficult problems, such as the Spindt cathode's extreme sensitivity to molecular oxygen. None to date have been able to meet the demand of long lifetime, robust packaging, and precision energy and flux control. This new cathode design avoids many common pitfalls of traditional cathodes. Specifically, there are no fragile parts, no sensitivity to oxygen, no intrinsic emission dependencies on device temperature, and no vacuum requirements for protecting the source from contamination or damage. Recent advances in high-brightness Light Emitting Diodes (LEDs) have provided the key enabling technology for this new electron source. The LEDs are used to photoeject electrons off a target material of a low work-function, and these photoelectrons are subsequently focused into a laminar beam using electrostatic lenses. The PEBG works by illuminating a target material and steering photoelectrons into a laminar beam using electrostatic lenses

Krause, Linda Habash↗

NASA NTRS2014

Unsteady Aerodynamic Validation Experiences From the Aeroelastic Prediction Workshop

The AIAA Aeroelastic Prediction Workshop (AePW) was held in April 2012, bringing together communities of aeroelasticians, computational fluid dynamicists and experimentalists. The extended objective was to assess the state of the art in computational aeroelastic methods as practical tools for the prediction of static and dynamic aeroelastic phenomena. As a step in this process, workshop participants analyzed unsteady aerodynamic and weakly-coupled aeroelastic cases. Forced oscillation and unforced system experiments and computations have been compared for three configurations. This paper emphasizes interpretation of the experimental data, computational results and their comparisons from the perspective of validation of unsteady system predictions. The issues examined in detail are variability introduced by input choices for the computations, post-processing, and static aeroelastic modeling. The final issue addressed is interpreting unsteady information that is present in experimental data that is assumed to be steady, and the resulting consequences on the comparison data sets.

Heeg, Jennifer↗

NASA NTRSDate not supplied

TPSAS-NF1676L-13635-DND

Objectives of AePW: Assess state-of-the-art Computational Aeroelasticity (CAe) methods as practical tools for the prediction of static and dynamic aeroelastic phenomena and responses on relevant geometries. - Perform comparative computational studies on selected test cases - Identify errors & uncertainties in computational aeroelastic methods - Identify gaps in existing aeroelastic databases - Provide roadmap of path forward (additional existing data sets, new experimental data sets, and analytical methods developments).

Walt Silva↗

DOE OSTI2026

Deciphering the Dynamic Balance Between Solvation Strength and Polysulfides Reaction Heterogeneity in Practical Lithium‐Sulfur Batteries

Achieving stable interfacial chemistry in lithium–sulfur batteries under practical conditions remains a key barrier to commercialization. Here, we demonstrate that interfacial dynamics can be effectively regulated by coupling solvation-power control with intrinsic heterogeneity of sulfur redox chemistry through the introduction of a weakly solvating fluorinated cosolvent, LIB 1200ET (1200ET). Compared with conventional fluorinated ethers, 1200ET efficiently shifts Li + solvation environment toward a more non-coordinated configuration at low volume fractions, enabling substantial solvation modulation without significantly impairing sulfur redox kinetics. This solvation transition weakens Li + –solvent interactions while strengthening Li + –anion and Li + –lithium polysulfide (LPS) coordination, suppressing LPS solubility and promoting reconstruction of solid–electrolyte interphase (SEI). Regulated LPS chemistry, together with 1200ET, leads to formation of a S 4+ -rich, LiF-reinforced SEI with enhanced ionic conductivity and mechanical robustness. Spatially resolved sulfur K-edge X-ray absorption spectroscopy on pouch cells reveals pronounced current-density-dependent chemical heterogeneity, distinguishing kinetically dominated and solvation-controlled regions. Under practical conditions (3.7 mg cm −2 sulfur loading, E/S = 6 µL mg −1 ), a single-layer pouch cell delivers 527 mAh g −1 over 200 cycles at C/3, while an Ah-level multilayer pouch cell achieves an energy density of 358 Wh kg −1 . These results establish non-coordinating cosolvent-driven solvation engineering as a scalable strategy for practical Li–S batteries.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Coordinated Natural Gas and Electric Planning: Case Studies of Current Approaches and Practices

This paper examines how natural gas and electric utilities across eight U.S. states and two Canadian provinces are beginning to coordinate historically separate planning processes in response to growing system interdependencies, policy mandates, aging infrastructure, and changing customer energy choices. Electricity planning has long relied on robust integrated resource planning frameworks that weigh numerous objectives, risks, and costs. Natural gas planning, on the other hand, is typically less transparent and more narrowly focused on safety and system integrity. As economic, reliability, and policy drivers place new and shared demands on both systems, jurisdictions and utilities are experimenting with approaches such as coordinated forecasting, non pipeline alternatives, and combined planning pilots. A few have issued regulatory or statutory directives for greater data sharing and methodological alignment. Case studies from British Columbia, California, Colorado, Illinois, Massachusetts, Minnesota, New York, Québec, Rhode Island, and Washington illustrate a wide range of approaches to rethinking siloed planning. The paper identifies several common themes across the jurisdictions examined. It provides observations on the methods, processes, and organizational steps that may be needed in the future to address the challenges being faced by states and utilities. Lastly, it identifies some initial steps that states and utilities can consider if they would like to pursue more integrated, cost-effective, policy-aligned energy system planning.

03 NATURAL GAS↗