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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A review of the effect of nanoclays on the fresh and hardened properties of cement-based materials

This paper provides an overview of the use of nanoclays in cement-based materials. The effect of nanoclays on shear rheological properties will be discussed, with a focus on structural build-up behavior. This macroscale flow behavior will then be tied to the effect of nanoclays on the fresh microstructure as characterized via in-situ particle size measurements and rheological techniques. This will provide insight on the mechanisms underlying the effect of nanoclays on fresh state properties through an improved understanding of their effect on flocculation and coagulation behavior. In addition, secondary effects nanoclays have on the hardening and hardened properties will also be discussed. Examples of casting applications in which nanoclays have been effectively utilized as rheological modifiers, i.e. reducing self-consolidating concrete formwork pressure, extrusion, semi-flowable concrete for slipform paving, and 3D concrete printing, will be presented. Finally, some thoughts on potential directions for future work will be shared.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Extending the Near-Infrared Emission Range of Indium Phosphide Quantum Dots for Multiplexed In Vivo Imaging

This report of the reddest emitting indium phosphide quantum dots (InP QDs) to date demonstrates tunable, near-infrared (NIR) photoluminescence (PL) as well as PL multiplexing in the first optical tissue window while avoiding toxic constituents. This synthesis overcomes the InP “growth bottleneck” and extends the emission peak of InP QDs deeper into the first optical tissue window using an inverted QD heterostructure, specifically ZnSe/InP/ZnS core/shell/shell nanoparticles. The QDs exhibit InP shell thickness-dependent tunable emission with peaks ranging from 515–845 nm. The high absorptivity of InP yields effective photoexcitation of the QDs with UV, visible, and NIR wavelengths. These nanoparticles extend the range of tunable direct-bandgap emission from InP-based nanostructures, effectively overcoming a synthetic barrier that has prevented InPbased QDs from reaching their full potential as NIR imaging agents. Further, multiplexed lymph node imaging in a mouse model demonstrates the potential of the NIR-emitting InP particles for in vivo imaging.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Gasoline fuels properties for multi-mode operation – Observations in a GDI and the CFR engine

The combustion behavior of five full boiling range RON98 gasoline blends was evaluated for multi-mode operation in a GDI and the CFR octane rating engine. The GDI engine tests were conducted with stoichiometric air-fuel ratio in spark-ignition (SI), and with air-diluted homogeneous charge compression ignition (HCCI) mode. In the CFR engine, the knocking combustion was analyzed under standard RON testing conditions at both peak knocking lambda and stoichiometric air-fuel ratios, whereas compression ignited operation was characterized by utilizing the HCCI number test protocol. Disparate knock limited SI and HCCI combustion behavior was observed for the test fuels, despite four of the fuels having the same RON and octane sensitivity. It was found that knock-limited combustion phasing in the GDI engine did not align well with the RON. However, a detailed comparison of knock-limited SI operation in the GDI and CFR engine revealed that a more appropriate effective RON based on a common knock intensity metric (MAPO) and stoichiometric air-fuel ratio resulted in comparable knock characterization between the two engine platforms. Furthermore, the critical intake air temperature and the critical compression ratio were proposed to characterize knock-limited SI operation, while the minimum intake air heating and compression ratio were used to define a fuel's autoignition propensity for compression ignition operation in the GDI and CFR engine, respectively. Finally, each fuel's characteristic compression ratio needed to obtain knock-limited SI (KLSI) and HCCI operation was used to calculate an effective multi-mode octane number (MM-ON) based on the primary reference fuel blends.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Static Self-Energy and Effective Mass of the Homogeneous Electron Gas from Quantum Monte Carlo Calculations

We discuss the methodology of quantum Monte Carlo calculations of the effective mass based on the static self-energy Σ(k,0). We then use variational Monte Carlo calculations of Σ(k,0) of the homogeneous electron gas at various densities to obtain results very close to perturbative G 0 W 0 calculations for values of the density parameter 1 ≤ r s ≤ 10. Here, the obtained values for the effective mass are close to diagrammatic Monte Carlo results and disagree with previous quantum Monte Carlo calculations based on a heuristic mapping of excitation energies to those of an ideal gas.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Frontiers of Ionic Liquids in Carbon Dioxide Separation and Valorization

Ionic liquids (ILs) have emerged as highly tunable sorbents and membranes for gas separation, especially in the purification of CO 2 -containing gas streams such as air, natural gas, biogas, and syngas. Their negligible volatility, high thermal stability, and chemical versatility position them as promising alternatives to conventional amine and alkaline metal derivative-based systems, effectively addressing key challenges such as volatility, stability, and high regeneration energy. Here, this Review explores IL-derived systems for CO 2 -related gas separation across dense, porous, and supported categories. At the dense liquid level, we discuss strategies for tailoring IL properties to optimize CO 2 sorption, focusing on the correlation between IL-CO 2 interaction strength, uptake capacity, and regeneration energy. Key advancements in carbon capture, including amino-functionalized (AILs) and superbase-derived ILs (SILs), are highlighted, along with strategies such as chemical structure engineering, multiple binding site integration, alternative driving force exploration, and stability enhancement. Then, the porous liquids (PLs) scale focuses on the emerging field integrating IL properties with permanent porosity engineering, spanning ultramicropores (<5 Å) to macropores (around 100 nm). These innovations improve gas uptake capacity, accelerate transport kinetics, introduce the gating effect, and enable the coexistence of active sites with antagonistic properties within a single IL medium. At the supported IL scale, the discussion shifts to IL- and ionic pair-modified sorbents and membranes, emphasizing the modulation of cations and anions, confinement effects from porous supports, and the IL–interface interaction to enhance CO 2 separation performance, particularly in diluted gas streams. Beyond separation, this Review highlights IL-based integrated processes for CO 2 capture and conversion into value-added chemicals via thermocatalytic, electrocatalytic, and photocatalytic pathways. At each scale, advanced computational and experimental tools for IL design are also discussed, providing insights into stability enhancement, sorption efficiency, and process integration. The Review concludes by addressing existing challenges and outlining future directions for IL-driven innovations in gas separation technologies.

Qiu, Liqi [Univ. of Tennessee, Knoxville, TN (Unit↗
DOE OSTI2025

Design Strategies Based on Electronic Interactions for Effective Catalysts in Lithium–Sulfur Batteries

Abstract Lithium–sulfur batteries (LSBs) are considered promising next‐generation batteries due to their high energy density (>500 W h kg −1 ). However, LSBs exhibit an unsatisfactory energy density (<400 W h kg −1 ) and cycle life (<300 cycles) because of the shuttle effect caused by soluble lithium polysulfide (LiPS) intermediates and the sluggish conversion reaction kinetics caused by insulating sulfur (S 8 ) and lithium sulfide (Li 2 S). Although various types of catalysts, including metal‐based compounds to single‐atom catalysts, have been reported to address these issues, most catalysts exhibited limited catalytic activity under practical lean electrolyte conditions (<5 µL mg −1 ). A comprehensive understanding of the synthetic strategy and catalytic mechanism of catalysts is essential for their design, but understanding the electronic effects of the catalysts and LiPS is more important. Furthermore, the electronic design of these catalysts is not well understood. In this review, we introduce the catalytic mechanisms in LSBs and discuss catalyst design strategies in terms of electronic effects on the interactions between reactants and catalysts, with a primary focus on heterogeneous catalytic systems. We additionally consider how the electronic property of homogeneous systems, particularly redox mediators, affects catalytic behavior under lean electrolyte conditions and propose future research directions for catalyst development in LSBs.

Chemistry↗
DOE OSTI2022

Fast estimation of reaction rates in spherical and non-spherical porous catalysts

Here we present a methodology for modeling multi-step reaction rates in porous catalyst particles for use in CFD-DEM and two fluid models. Single-step effectiveness factors based on a Thiele modulus, while useful, cannot accurately capture the cascading reaction systems common in high temperature vapor-phase chemical reactors like fluidized catalytic cracking units and catalytic biomass fast pyrolysis systems. Instead, multi-step effectiveness vectors derived from steady-state solutions to the governing reaction-diffusion equations are needed. Solutions for various catalyst shapes are presented, including spheres, cylinders, and prisms. Computational challenges inherent in repeated evaluation of reaction rates with diffusion limitations are discussed, and an efficient implementation based on pre-computed lookup tables is proposed and demonstrated on a simulation of a fluidized bed reactor. Open-source code is provided for the compilation of reaction rate tables for use in ODE, DEM, and two-fluid models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Acid–base concentration swing for direct air capture of carbon dioxide

This work demonstrates the first experimental evidence of the acid–base concentration swing (ABCS) for direct air capture of CO 2 . This process is based on the effect that concentrating particular acid–base chemical reactants will strongly acidify solution, through Le Chatelier's principle, and result in outgassing absorbed CO 2 . After collecting the outgassed CO 2 , diluting the solution will result in a reversal of the acid–base reaction, basifying the solution and allowing for atmospheric CO 2 absorption. The experimental study examines a system that includes sodium cation as the alkalinity carrier, boric acid, and a polyol complexing agent that reversibly reacts with boric acid to strongly acidify solution upon concentration. Though the tested experimental system faces absorption rate and water capacity limitations, the ABCS process described here provides a basis for further process optimization. A generalized theoretical ABCS reaction framework is developed and different reaction orders and conditions are studied mathematically. Higher order reactions yield favorable cycle output results, reaching volumetric cycle capacity above 50 mM for third-order and 80 mM for fourth-order reactions. Optimal equilibrium constants are determined in order to guide alternative chemical searches and synthetic chemistry design targets. There is a substantial energetic benefit for reaction orders above the first, with second- and third-order ABCS cycles exhibiting a thermodynamic minimum work for the concentrating and outgassing steps around 150 kJ per mole of CO 2 . A significant advantage of the ABCS is that it can be driven through well-developed and widely-deployed desalination technologies, such as reverse osmosis, with opportunities for energy recovery when recombining the concentrated and diluted streams, and extraction can occur directly from the liquid phase upon vacuum application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Effective viscosity, resistivity, and Reynolds number in weakly collisional plasma turbulence

ABSTRACT We examine dissipation and energy conversion in weakly collisional plasma turbulence, employing in situ observations from the Magnetospheric Multiscale mission and kinetic particle-in-cell simulations of proton–electron plasma. A previous result indicated the presence of viscous-like and resistive-like scaling of average energy conversion rates – analogous to scalings characteristic of collisional systems. This allows for extraction of collisional-like coefficients of effective viscosity and resistivity, and thus also determination of effective Reynolds numbers based on these coefficients. The effective Reynolds number, as a measure of the available bandwidth for turbulence to populate various scales, links turbulence macroscale properties with kinetic plasma properties in a novel way.

Astronomy & Astrophysics↗
DOE OSTI2025

Prediction of Alpha-Particle-Immune Gate-All-Around Field-Effect Transistors (GAA-FET) Based SRAM Design

Alpha particles are known to be a major source of particles creating soft errors in semiconductor devices, such as content flipping in Static Random-Access Memory (SRAM). Recent advancements in transistor nodes have led to the introduction of Gate-All-Around Field Effect Transistors (GAA-FETs), which have better gate control, thus better electrostatics. Moreover, the introduction of bottom dielectric isolation (BDI) eliminates substrate leakage and thus is expected to enhance its radiation hardness. It is thus important to explore if one can design an SRAM that is completely radiation-hard to alpha particles. In this paper, using 3D Technology Computer-Aided-Design (TCAD) simulations, we show that it is possible to design an SRAM using GAA-FET technology so that it is immune to single alpha particle radiation error. In other words, with the design, there will be no single-event upset (SEU) due to alpha particles. We first use ab initio calculations in PHITS to show that there is a maximum linear energy transfer (LET), LET max , for the alpha particle in Si and Si x Ge 1-x . Based on that, by de signing a sub-7nm GAA-FET-based SRAM with BDI, we show that the SRAM does not flip even if the particle strike is in the worst-case scenario for LET > LET max .

42 ENGINEERING↗
DOE OSTI2022

Evaluating the effectiveness of a camera-based detection system to support informed curtailment and minimize eagle fatalities at wind energy facilities

The American Wind Wildlife Institute (AWWI – now Renewable Energy Wildlife Institute, REWI) – was appointed prime awardee of DOE award number DE-EE0007880 to lead a team of scientists, wind developers, and technology manufacturers in a collaborative evaluation of the effectiveness of a technology intended to help reduce eagle collisions with wind turbines. IdentiFlight, developed by Renewable Energy Systems (RES) in collaboration with Boulder Imaging, is an autonomous aerial monitoring and detection system. REWI partnered with ecological consultants, Western Ecosystems Technology, Inc. (WEST), to independently evaluate the performance of IdentiFlight reducing eagle collision risk under a suite of environmental conditions relative to the performance of a Biomonitor (human observer-based) Program. The project objectives were to 1) evaluate how IdentiFlight compared to biomonitors in detecting and identifying eagles under a suite of environmental conditions and 2) use the observation data to model how IdentiFlight and biomonitors reduced the eagle fatality prediction through informed curtailment. Field testing was to take place at two geographically distinct wind farms over two field seasons at each wind farm with a study design appropriate for meta-analyses across sites and years.

17 WIND ENERGY↗
DOE OSTI2020

An effective survey method for studying volant species activity and behavior at tall structures

The effects of anthropogenic modification of air space on wildlife, particularly volant species, is not fully understood. Thus, it is essential to understand wildlife-interactions with tall structures to implement effective mitigation strategies. Yet, we are currently lacking standard protocols for visual surveys of wildlife behavior at such heights. Our study sought to determine an effective, repeatable method using readily available night vision and thermal technology to survey wildlife at tall structures. Using bats as the taxonomic group of interest, we (1) created a key to identify bats and their behavior, (2) compared the effectiveness of 2 different technologies, and (3) assessed optimal equipment placement to visually capture bat activity and behavior in proximity to wind turbine towers. For the latter, we tested thermal cameras at four distances from the base of the tower. The results of our study revealed that thermal cameras captured ∼34% more flying animals than night vision at a 2 m distance. However, due to the heat signature of the turbine towers themselves, it was challenging to identify behaviors and interactions that occurred in close proximity to the towers. In contrast, it was difficult to identify bats approaching the towers using night vision, yet we were able to clearly observe interactions with the towers themselves. With regards to equipment placement, we visually captured more bats with the thermal cameras placed 2 m from the tower base compared to farther distances. From our findings, we recommend that when using either thermal or night vision technology at tall structures, they be placed 2 m from the base to effectively observe interactions along the length of these structures. In addition, we further recommend that consideration be given to the use of these two technology types together to effectively conduct such surveys. If these survey techniques are incorporated into standard protocols, future surveys at a variety of tall structures are likely to become comparable and repeatable, thereby more effectively informing any mitigation strategies that may be required.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Identification and Exploration of a Series of SARS-Cov-2 M Pro Cyano-Based Inhibitors Revealing Ortho-Substitution Effects within the P3 Biphenyl Group

Starting from a simple scaffold hopping exercise based on our previous exploration of cysteine protease inhibitors against legumain, compound 6a was identified as a starting point for the development of a SARS-CoV-2 main protease (M Pro ) inhibitor. Compound 6a displayed submicromolar biochemical potency in the ultrasensitive assay developed by Drag and coworkers. Through an iterative structure−activity relationship campaign, we discovered an unexpected improvement in both biochemical and cellular potency through the incorporation of an ortho substituent within the P3 benzamide. X-ray crystallography revealed that incorporation of the ortho substituent caused a subtle but important binding enhancement of the P1 glutamate group within the M Pro S1 pocket. While incorporation of the ortho substituent improved the potency, the off-target selectivity against a panel of cysteine proteases and cell activity remained suboptimal. Further scanning of the P2 core revealed that incorporation of the 3.1.0 proline could address these issues and afford compound 22e, a highly potent and cellularly active M Pro inhibitor.

COVID-19 infection↗
DOE OSTI2020

The Sixth Data Release of the Radial Velocity Experiment (Rave). II. Stellar Atmospheric Parameters, Chemical Abundances, and Distances

We present part 2 of the sixth and final Data Release (DR6) of the Radial Velocity Experiment (Rave), a magnitude-limited (9<I<12) spectroscopic survey of Galactic stars randomly selected in Earth’s southern hemisphere. The Rave medium-resolution spectra (R ∼ 7500) cover the Ca triplet region (8410–8795 Å) and span the complete time frame from the start of Rave observations on 2003 April 12 to their completion on 2013 April 4. In the second of two publications, we present the data products derived from 518,387 observations of 451,783 unique stars using a suite of advanced reduction pipelines focusing on stellar atmospheric parameters, in particular purely spectroscopically derived stellar atmospheric parameters (T{sub eff}, logg, and the overall metallicity), enhanced stellar atmospheric parameters inferred via a Bayesian pipeline using Gaia DR2 astrometric priors, and asteroseismically calibrated stellar atmospheric parameters for giant stars based on asteroseismic observations for 699 K2 stars. In addition, we provide abundances of the elements Fe, Al, and Ni, as well as an overall [α/Fe] ratio obtained using a new pipeline based on the GAUGUIN optimization method that is able to deal with variable signal-to-noise ratios. The Rave DR6 catalogs are cross-matched with relevant astrometric and photometric catalogs, and are complemented by orbital parameters and effective temperatures based on the infrared flux method. The data can be accessed via the Rave website (http://rave-survey.org) or the Vizier database.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Privacy-Preserving Real-Time Action Detection in Intelligent Vehicles Using Federated Learning-Based Temporal Recurrent Network

This study introduces a privacy-preserving approach for the real-time action detection in intelligent vehicles using a federated learning (FL)-based temporal recurrent network (TRN). This approach enables edge devices to independently train models, enhancing data privacy and scalability by eliminating central data consolidation. Our FL-based TRN effectively captures temporal dependencies, anticipating future actions with high precision. Extensive testing on the Honda HDD and TVSeries datasets demonstrated robust performance in centralized and decentralized settings, with competitive mean average precision (mAP) scores. The experimental results highlighted that our FL-based TRN achieved an mAP of 40.0% in decentralized settings, closely matching the 40.1% in centralized configurations. Notably, the model excelled in detecting complex driving maneuvers, with mAPs of 80.7% for intersection passing and 78.1% for right turns. These outcomes affirm the model’s accuracy in action localization and identification. The system showed significant scalability and adaptability, maintaining robust performance across increased client device counts. The integration of a temporal decoder enabled predictions of future actions up to 2 s ahead, enhancing the responsiveness. Our research advances intelligent vehicle technology, promoting safety and efficiency while maintaining strict privacy standards.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Impact of impurities on peeling–ballooning modes and turbulence in tokamak plasmas

This study investigates the impact of various impurity species on peeling–ballooning (PB) modes and microturbulence in tokamak plasmas through the extension of traditional two-fluid and gyro-landau-fluid (GLF) models. By incorporating finite Larmor radius (FLR) effects, the analysis provides a comprehensive understanding of impurity-driven impact and its interaction with plasma turbulence. Depending on charge state and local plasma conditions, heavy impurities may exhibit gyro-radii larger than those of main ions, which are captured in the extended GLF model presented. Following the presentation of modified two-fluid equations incorporating impurity effects, we systematically analyze the distinctions between impurity and main ion dynamics and their resultant feedback mechanisms on plasma behavior. Derivation of the linear dispersion relation enables quantification of impurity-mediated modifications to: plasma vorticity, diamagnetic drift and gyroviscous effects, electron Hall physics, and FLR effects. BOUT++ – based linear simulations corroborate this formalism, demonstrating systematic stabilization of PB modes upon impurity seeding. And then operational implications for practical impurity control strategies in tokamak devices are proposed. The results underscore the necessity of impurity management to maintain stability and optimize plasma confinement, with specific focus on how FLR effects contribute to transport dynamics. This work paves the way for enhanced modeling and simulation efforts, supporting the development of strategies to control impurity-induced turbulence and improve overall reactor performance.

BOUT++ simulation↗
DOE OSTI2020

The effect of moisture on hydrocarbon-based solvent liquefaction of pine, cellulose and lignin

In this report we examined the effect of moisture on the solvent liquefaction of loblolly pine, cellulose, and lignin in tetralin at 280 °C and pressures ranging from 15 to 70 bar. Solvent liquefaction experiments were conducted in a quasi-batch reactor capable of continuous pressure control and external vapor condensation. Moisture was varied by the controlled addition of de-ionized water. Control over the system pressure subsequently impacted the removal of water vapor from the reactor. Liquid yield decreased by 25, 21, and 35 wt%, for pine, cellulose, and lignin, respectively, when moisture content was increased from 1 to 50 wt% at 42 bar. Humins were observed in the solid residue from liquefaction of wet cellulose. Wet lignin yielded a substantial amount of solid residue compared to dry lignin with a corresponding decrease in total phenolic monomer production. It was concluded that the ionic dissociation of water was an important factor in loss of liquid yield in the presence of water. Although water was less than 20 wt% of the solvent loading in these experiments, it strongly influenced the liquefaction of biomass and biomass components.

09 BIOMASS FUELS↗
DOE OSTI2023

Atmospheric effects on the laser-driven avalanche-based remote detection of radiation

Here, the effect of realistic atmospheric conditions on mid-IR (λ = 3.9 µm) and long-wave-IR (λ = 10 µm) laser-induced avalanche breakdown for the remote detection of radioactive material is examined experimentally and with propagation simulations. Our short-range in-lab mid-IR laser experiments show a correlation between increasing turbulence level and a reduced number of breakdown sites associated with a reduction in the portion of the focal volume above the breakdown threshold. Simulations of propagation through turbulence are in excellent agreement with these measurements and provide code validation. We then simulate propagation through realistic atmospheric turbulence over a long range (0.1–1 km) in the long-wave-IR regime (λ = 10 µm). The avalanche threshold focal volume is found to be robust even in the presence of strong turbulence, only dropping by ~50% over a propagation length of ~0.6 km. We also experimentally assess the impact of aerosols on avalanche-based detection, finding that, while background counts increase, a useful signal is extractable even at aerosol concentrations 10 5 times greater than what is typically observed in atmospheric conditions. Our results show promise for the long-range detection of radioactive sources under realistic atmospheric conditions.

54 ENVIRONMENTAL SCIENCES↗