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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Overview of recent results from the ST40 compact high-field spherical tokamak

ST40 is a compact, high-field ($B_{\mathrm{T0}}\unicode{x2A7D} 2.1\,\,\,\textrm{T}$) spherical tokamak (ST) with a mission to expand the physics and technology basis for the ST route to commercial fusion. The ST40 research programme covers confinement and stability; solenoid-free start-up; high-performance operating scenarios; and plasma exhaust. In 2022, ST40 obtained central deuterium ion temperatures of $9.6 \pm 0.4\ \textrm{keV}$, demonstrating for the first time that pilot plant relevant ion temperatures can be reached in a compact, high-field ST. Analysis of these high-ion temperature plasmas is presented, including a summary of confinement, transport and microstability characteristics, and energetic particle instabilities. Recent scenario development activities have focused on establishing diverted H-mode plasmas across a range of toroidal fields and plasma currents, along with scenarios with high non-inductive current fractions. In future operations, beginning in 2025, a 1 MW dual frequency (104/137 GHz) electron cyclotron (EC) system will be installed to enable the study of EC and electron Bernstein wave plasma start-up and current drive. Predictive modelling of the potential performance of these systems is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Mg-Ion Conduction in Antiperovskite Solid Electrolytes Revealed by 25 Mg Ultrahigh Field NMR and First-Principles Calculations

Magnesium-ion batteries hold the potential to outperform the energy density of lithium-ion batteries, given the divalent charge carried by each Mg 2+ cation, but remain in an early stage of development. Here, in this study, 25 Mg solid-state nuclear magnetic resonance (ssNMR) is used to gain insight into the local structure and Mg-ion dynamics of candidate Mg-ion solid electrolytes, the antiperovskites Mg 3 SbN and Mg 3 AsN. Using the highest available magnetic field (35.2 T) for high-resolution solid-state NMR, the largest 25 Mg quadrupole coupling constants (C Q ) yet measured of up to 22 MHz are reported and corroborated by first-principles calculations. Predicted C Q values are shown to correlate with the antiperovskite’s tolerance factor; thus, 25 Mg NMR linewidths can report on lattice distortions and phase stability of these antiperovskites. Variable-temperature 25 Mg NMR spectra demonstrate changes at elevated temperatures, ascribed to Mg-ion motional effects. 25 Mg T 1 relaxometry measurements at ultrahigh field reveal a lower activation energy for the more distorted Mg 3 AsN phase, matching computational predictions of a lower energy barrier for Mg 2+ ion migration and suggesting that additional scrutiny of antiperovskites as Mg-ion conductors is warranted. Given the inherent challenges of 25 Mg NMR, this work demonstrates the benefits of combining ultrahigh field NMR spectroscopy, advanced pulse sequences, modern signal processing, and first-principles calculations to facilitate NMR of quadrupolar nuclei as a tool to probe the local structure and ion dynamics in beyond-Li battery materials.

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

Biogeochemical reactions and release of iron-bound organic carbon during the redox processes. Final report

Accurate simulation and prediction for reactions of soil organic carbon (OC) under different biogeochemical conditions remain a grand challenge. This project aims to investigate the transformation and degradation of OC under anaerobic and aerobic conditions as well as anaerobic-aerobic transitions, as well as its coupling with reactions for iron (Fe) oxide minerals. We determined that OC can serve as electron shuttle (including pyrogenic OC) and donor for accelerating the reduction of Fe oxide. The presence of OC can inhibit the transformation of poor crystalline Fe oxide (ferrihydrite) to other more crystalline forms. Reduction of Fe oxide can lead to the mobilization of OC, depending on the ratio of OC/Fe. More condensed aromatic OC can be selectively associated with Fe oxide and also resistant to the reduction release, enhancing their stability during the anaerobic reactions. Under aerobic condition, the association with Fe oxide can inhibit the degradation of OC and also its priming effects on the degradation of indigenous soil OC. During an anaerobic-aerobic transition, OC mineralization was inhibited substantially compared to controls incubated only aerobically. Our field measurement in the Arctic region revealed the importance of deep soil temperature in regulating the generation of CO 2 and CH 4 . These results highlighted the importance of redox reactions in controlling the fate and stability of soil OC. For future studies, investigations are required to fill in the knowledge gap regarding the structure and chemical nature of important organic ligands for Fe, accurate quantification of Fe-bound OC in soils, the long-term effects of anaerobic-aerobic transitions on the OC mineralization as well as response of microbial communities to redox transitions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Effects of characteristics of image quality in an immersive environment

Image quality issues such as field of view (FOV) and resolution are important for evaluating "presence" and simulator sickness (SS) in virtual environments (VEs). This research examined effects on postural stability of varying FOV, image resolution, and scene content in an immersive visual display. Two different scenes (a photograph of a fountain and a simple radial pattern) at two different resolutions were tested using six FOVs (30, 60, 90, 120, 150, and 180 deg.). Both postural stability, recorded by force plates, and subjective difficulty ratings varied as a function of FOV, scene content, and image resolution. Subjects exhibited more balance disturbance and reported more difficulty in maintaining posture in the wide-FOV, high-resolution, and natural scene conditions.

Non-NASA Center↗
DOE OSTI2020

Direct Demonstration of Topological Stability of Magnetic Skyrmions via Topology Manipulation

Topological protection precludes a continuous deformation between topologically inequivalent configurations in a continuum. Motivated by this concept, magnetic skyrmions, topologically nontrivial spin textures, are expected to exhibit topological stability, thereby offering a prospect as a nanometer-scale nonvolatile information carrier. In real materials, however, atomic spins are configured as not continuous but discrete distributions, which raises a fundamental question if the topological stability is indeed preserved for real magnetic skyrmions. Answering this question necessitates a direct comparison between topologically nontrivial and trivial spin textures, but the direct comparison in one sample under the same magnetic fields has been challenging. Here we report how to selectively achieve either a skyrmion state or a topologically trivial bubble state in a single specimen and thereby experimentally show how robust the skyrmion structure is in comparison with the bubbles. We demonstrate that topologically nontrivial magnetic skyrmions show longer lifetimes than trivial bubble structures, evidencing the topological stability in a real discrete system. Our work corroborates the physical importance of the topology in the magnetic materials, which has hitherto been suggested by mathematical arguments, providing an important step toward ever-dense and more-stable magnetic devices.

36 MATERIALS SCIENCE↗
NASA NTRS1981

The role of the helical jet mode in aerodynamic noise generation

The helical jet mode is modeled by an infinite helical vortex filament, and an exact analytical solution for the induced velocity field interior to the filament is derived. These expressions are then used to model the jet flow field and to analyze the high subsonic and supersonic jet noise generation. It is shown that noise will be generated directly if the helical mode convects or rotates. Reducing this noise by stabilizing the mode is difficult, since the self-induced velocities of the mode itself cause it to convect and rotate; the use of noncircular nozzles is suggested to eliminate the symmetry of the boundary condition. The helical mode can also generate noise indirectly by inducing time-dependent Coriolis accelerations on small-scale turbulence propagating in its induced velocity field. This suggests that any upstream turbulence generation has an enhanced potential for noise propagation when propagating in the presence of the helical mode.

Hardin, J. C.↗
DOE OSTI2023

Relaxation measurements of an MRI system phantom at low magnetic field strengths

Abstract Objective Temperature controlled T 1 and T 2 relaxation times are measured on NiCl 2 and MnCl 2 solutions from the ISMRM/NIST system phantom at low magnetic field strengths of 6.5 mT, 64 mT and 550 mT. Materials and methods The T 1 and T 2 were measured of five samples with increasing concentrations of NiCl 2 and five samples with increasing concentrations of MnCl 2 . All samples were scanned at 6.5 mT, 64 mT and 550 mT, at sample temperatures ranging from 10 °C to 37 °C. Results The NiCl 2 solutions showed little change in T 1 and T 2 with magnetic field strength, and both relaxation times decreased with increasing temperature. The MnCl 2 solutions showed an increase in T 1 and a decrease in T 2 with increasing magnetic field strength, and both T 1 and T 2 increased with increasing temperature. Discussion The low field relaxation rates of the NiCl 2 and MnCl 2 arrays in the ISMRM/NIST system phantom are investigated and compared to results from clinical field strengths of 1.5 T and 3.0 T. The measurements can be used as a benchmark for MRI system functionality and stability, especially when MRI systems are taken out of the radiology suite or laboratory and into less traditional environments.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Using non-invasive MEMS pressure sensors for measuring building envelope air leakage

Micro-electromechanical systems (MEMS)-based sensors have seen significant improvements in accuracy and cost over the past several years, and due to the need for altitude sensing in unmanned aerial vehicles and wearable technologies, absolute pressure sensors have shown the most dramatic improvements. This paper investigates applications of MEMS sensors in commercial buildings, including pairing two absolute pressure sensors to determine differential pressures between different locations in and around buildings. Differential pressure measurements are commonly made in commercial buildings for a number of applications, including static pressure measurements for variable-speed supply fan control, air balancing in hospitals, and for envelope and duct air leakage testing. This paper focuses specifically on envelope air-leakage testing applications of these sensors. The use of continuous pressure measurements in addition to one-time non-intrusive outdoor airflow measurements of rooftop packaged units is investigated. A comparison with standardized leakage testing indicated that continuous measurements with MEMS pressure-sensors were able to estimate envelope leakage to within 3–16% of the standardized test result. In addition, the magnitude and stability of differential pressure differences that can be resolved with absolute pressure sensors are also investigated in the laboratory and the field. Results show that the sensors can be effectively used for pressures seen in low rise buildings with rooftop units.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Perovskite Quantum Dot Solar Cells: Mapping Interfacial Energetics for Improving Charge Separation

Colloidal halide perovskite nanocrystals or quantum dots (QDs) show similar defect tolerance as thin film perovskite materials with added nanoscale phenomena. Perovskite QD solar cells have demonstrated efficiencies of 16.6%, greater than that of any other QD material system. While the efficiency lags behind the best thin-film perovskite devices, these solar cells could have advantages over the thin-film versions in terms of processability, phase stability, and high open-circuit voltages. However, some operating principles behind perovskite quantum dot device stacks and the associated electric field properties are still unknown. Here, we characterize the junction structure within perovskite QD solar cells, by exposing functioning cross-sections and using nanometer-scale Kelvin probe force microscopy to offer insight into the selection and performance of charge selective contacts. We also evaluated various solar cell device architectures with different selective contacts to isolate the role of each junction in device performance. We show that in high-performance n-i-p architectures, both electron- and hole-transport layer (HTL) interfaces possess a strong electric field, but in the case of the inverted p-i-n architecture, we find that high interfacial recombination at the HTL/QD junction is responsible for subpar device performance. Perovskite QD and thin film materials can synergistically be combined to offer more design flexibility in PV devices, and here we demonstrate that the interface between perovskite thin films and QDs are relatively benign and amenable for synergistic device design.

14 SOLAR ENERGY↗
DOE OSTI2025

Atomistic Insights into Lithium–Glyme Solvate Ionic Liquids: Effects of Chain Length and Anion Coordination

For this study, mixtures of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) in diglyme (G2), triglyme (G3) and tetraglyme (G4) at solvate ionic liquid (SIL) concentrations were investigated using classical molecular dynamics (cMD) simulations with a physically motivated force-field specifically developed for modeling these systems. The structural and dynamical properties of the mixtures were computed and analyzed. Lithium solvation shells, radial distribution functions, and X-ray structure factors were studied across the different SIL systems. Translational diffusion and rotational relaxation times were also evaluated, exhibiting similar trends with increasing glyme chain length. The results are consistent with experimental data and in good agreement with previous computational studies on G3 and G4. These findings validate the accuracy of the force field in modeling glyme systems and its use for describing the [Li(G2) 4/3 ][TFSI] mixture. Additionally, the thermal and electrochemical stability of these electrolytes were systematically examined. The thermal stability appears to be governed by cooperative interactions among glyme molecules, while the electrochemical stability is primarily influenced by Li + -anion interactions, which vary significantly with glyme chain length. Overall, the study sheds light on the crucial role of the anion in these glyme-based SILs and offers valuable insights into Li + -glyme systems at SIL concentrations, highlighting their promise as potential Li-ion battery electrolytes.

anions↗
DOE OSTI2022

Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility

Mechanistic understanding of large molecule conversion and the discovery of suitable heterogeneous catalysts have been lagging due to the combinatorial inventory of intermediates and the inability of humans to enumerate all structures. Here, we introduce an automated framework to predict stable configurations on transition metal surfaces and demonstrate its validity for adsorbates with up to 6 carbon and oxygen atoms on 11 metals, enabling the exploration of ~10 8 potential configurations. It combines a graph enumeration platform, force field, multi-fidelity DFT calculations, and first-principles trained machine learning. Clusters in the data reveal groups of catalysts stabilizing different structures and expose selective catalysts for showcase transformations, such as the ethylene epoxidation on Ag and Cu and the lack of C-C scission chemistry on Au. Deviations from the commonly assumed atom valency rule of small adsorbates are also manifested. This library can be leveraged to identify catalysts for converting large molecules computationally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Colloidal quantum dots for optoelectronics

Colloidal quantum dots (QDs) are semiconductor nanocrystals that have unique size-tunable optoelectronic properties and are suitable for wet processing. QD research aims to answer fundamental questions about the chemical and physical properties of nanoscale materials and use these tools for technological applications ranging from bio-imaging to quantum optics. At the core of this field is a set of synthetic, processing and analytical methods designed to produce QDs in uniform ensembles that meet the highest performance standards. Here, this Primer reviews QD fabrication methods with a focus on the applications of QDs in printed optoelectronics and quantum optics. After outlining the current state-of-the-art QD syntheses, the experimental and computational analysis of QDs is discussed. These topics are then connected to the methodologies, processes and concepts required for developing QD-based photodetectors, light-emitting devices and quantum optics applications. Special attention is paid to challenges in reproducibility and current limitations of the field, such as the need to balance non-restricted material composition with high performing technology while achieving long-term stability in QD devices under operating conditions. Finally, the ongoing advancement in QD synthesis, precise atomic-level analysis and computational methodologies are highlighted as key drivers towards rational QD design, particularly in understanding how structural changes under loading impact QD properties.

optical materials↗
DOE OSTI2022

Prospects for H-mode inhibition in negative triangularity tokamak reactor plasmas

Instability to high toroidal mode number ($\textit{n}$) ballooning modes has been proposed as the primary gradient-limiting mechanism for tokamak equilibria with negative triangularity (NT) (δ) shaping, preventing access to strong H-mode regimes when δ is sufficiently negative. To understand how this mechanism extrapolates to reactor conditions, we model the infinite-$\textit{n}$ ballooning stability as a function of internal profiles and equilibrium shape using a combination of the CHEASE and BALOO codes. While the critical δ required for avoiding 2nd stability to high-$\textit{n}$ modes is observed to depend in a complicated way on various shaping parameters, including the equilibrium inverse aspect ratio, elongation and squareness, equilibria with NT are robustly prohibited from accessing the 2nd stability region, offering the prediction that NT reactors should maintain L-mode-like operation. In order to access high-$\textit{n}$ 2nd stability, the local shear over the entire bad curvature region must be sufficiently negative to overcome curvature destabilization on the low field side. Finally, scalings of the ballooning-limited pedestal height are provided as a function of plasma parameters to aid future scenario design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

High-performance nanodevices based on WGe 2⁢ N 4 monolayer

Two-dimensional (2D) 𝑀⁢𝐴 2 ⁢𝑍 4 -family monolayers (MLs) have emerged as promising semiconductors due to their element tunability and rich electronic and optoelectronic properties. In this work, using first-principles calculations, we investigate the electronic, mechanical, transport, and optoelectronic properties of WGe 2⁢ N 4 ML with a small indirect bandgap. Various nanodevices based on WGe 2 ⁢N 4 ML are studied, including pn-junction diodes, pin-junction field-effect transistors (FETs), and phototransistors. The present results reveal that the WGe 2⁢ N 4 ML exhibits high rigidity, thermal stability, and remarkable light absorption. These nanodevices demonstrate excellent performance: (1) the pn-junction diode shows a high rectification ratio and a near-Shockley-limit ideality factor, (2) the pin-junction FET exhibits significant gate voltage modulation capability with subthreshold swing as low as 71 mV/dec (close to the theoretical limit calculated based on the Boltzmann distribution), and (3) the phototransistor displays strong optoelectronic responses in the visible and ultraviolet regions. Furthermore, these findings establish WGe 2 ⁢N 4 ML as a versatile platform for developing high-performance, multifunctional nanoelectronic and optoelectronic devices, significantly expanding the application potential of 𝑀⁢𝐴 2⁢ 𝑍 4 -family materials.

2-dimensional systems↗
DOE OSTI2025

Domain Wall Reactions in Multiple-Order Parameter Ferroelectrics

The motion of domain walls is crucial for ferroelectric switching. Conventionally, the switching dynamics is believed to be determined by the motion of one or a few low-energy domain wall types of dominant population. Here, we challenge this conventional idea in multiple-order-parameter ferroelectrics. Using hafnia as example, we show that the multiple-order-parameter nature not only provides various mobile domain walls and defectlike immobile domain walls, but also enables the domain wall reactions. In analogy with chemical reactions where substances react to form new substances, domain walls could also react to form other domain walls during switching. We identify several elementary domain wall reaction types including synthesis, decomposition, and exchange reactions. Domain walls are continually changed by these reactions during switching so that the switching behavior reflects the statistical average of many domain wall types with distinct mobility and stability. These reactions also lead to phenomenon like remanent nuclei and defect-site nucleation that facilitate switching and lower coercive field. Finally, the concept of domain wall reaction is not limited to hafnia but can be generalized to any multiple-order-parameter ferroelectric. As a result, this Letter conceptualizes domain wall reaction, expands the theory of ferroelectric switching, and suggests a practical way for defect engineering to control switching behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigating Soil Organic Matter Complexation using Spectral Induced Polarization

Spectral induced polarization (SIP) laboratory experiments were conducted to determine the sensitivity of this method to the formation of soil organic matter (SOM) complexes, with a long-term goal of field-scale monitoring. There are few SIP experiments that have explored this topic, yet understanding the dynamic behavior and interactions of SOM at the field scale could provide insight into soil fertility and health which influences crop yields, microorganisms that degrade organic pollutants, and carbon stabilization. We present the results of three experiments where the iron oxide, ferrihydrite (Fhy), was used to coat different media, and then the OM compound pentaglycine (PG) was pulse injected to form SOM complexes. SIP data was collected during these injections to capture any surface complexation changes. These experiments were performed in 1) a fluidic cell containing a micromodel, 2) a column containing Fhy coated ceramic beads and 3) a column containing Fhy coated Accusand®. Our results show a higher frequency response (defined here as > 1 Hz) in all three experiments, with the largest amplitude response after the first PG injection (Figure S.1). The repeatability of this response is encouraging and supporting data collected on the Accusand® experiment provides preliminary insight into the mechanisms controlling the SIP signatures. Sampling of fluid conductivity $σ_w$ and pH may indicate deprotonation of SOM occurring or rapid adsorption and release of protons from the Fhy sites. However additional experiments are needed to identify and confirm the primary and secondary reactions impacting the SIP response. We are looking towards other opportunities to continue this work, particularly to repeat experiments while collecting supporting datasets.

58 GEOSCIENCES↗
NASA NTRS1975

Evaluation of active control technology for short haul aircraft

An evaluation of the economics of short-haul aircraft designed with active controls technology and low wing-loading to achieve short field performance with good ride quality is presented. Results indicate that for such a system incorporating gust load alleviation and augmented stability the direct operating cost is better than for aircraft without active controls.

Renshaw, J. H.↗