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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Active Turbine Tip Clearance Control Trade Space Analysis of an Advanced Geared Turbofan Engine

Tip clearance within the high pressure turbine of a gas turbine engine is a significant factor in engine performance and efficiency. In the pursuit of higher efficiency, aero-engine designs are migrating toward compact gas turbine (CGT) technology that seeks to increase the bypass ratio of the gas turbine engine without increasing the size of the fan, which is constrained by its underwing location. The reduced size of CGTs invoke concern over increased sensitivity of engine performance due to turbine tip clearance gap that makes an argument for advanced tip clearance mitigation and control techniques to be employed. This paper evaluates the tip clearance trade space for a conceptual geared turbofan engine with a CGT core. This is accomplished through a modeling and simulation approach that includes a sensitivity analysis of engine performance in response to high pressure turbine tip clearance as well as an evaluation of the sensitivity of tip clearance to various design parameters, including material properties and component cooling characteristics. Also included is a parametric study of actuators that provides preliminary requirements for implementation of active turbine tip clearance control actuation systems. The results produced from these studies are meant to be informative, with special emphasis on the demonstration of a systematic approach. The modeling approach appears to capture expected trends. The studies suggest that the tip clearance gap will have a greater impact on the new CGT engines and that a relatively slow, actively controlled actuation system may be sufficient as long as it has control authority to both open and close the tip clearance gap.

tip clearance control↗
DOE OSTI2024

Data Analytics for Catalysis Predictions: Are We Ready Yet?

Catalysis informatics has received tremendous attention in recent years as a tool to design catalysts and discover unique descriptors that capture the relationships between chemical properties and catalytic performance. One of the stop-gaps in understanding catalytic effects, which is often ignored and limits the deployment of data science tools, relates to the lack of uniform data. The catalytic cleavage of C–X (X= H, C, N, and O) bonds is relevant to many fundamental catalytic processes. In this Perspective, we performed data analytics on four groups of C–X cleavage reactions that are common in production, upcycling, or reactive separation: the C–C cleavage in cyclopropyl alcohol, the C–H cleavage in hydroacylation reactions, the C–O cleavage in β-O-4 linkages, and the C–N cleavage in amides, using experimental data collected from the literature to understand their underlying correlations. Experimental variables of high impact are identified for each reaction by dimensionality reduction methods. We highlight the urgent need for experimental data sets that include full details on the reaction conditions, such as reagent concentration, reaction temperature, or time in machine-readable forms. We discuss the potential improvement of the data of these reactions and promising approaches such as autonomous experiments to fill the gaps in unbiased experimental data. Finally, we also address the early stage consideration of separation aspects in the experimental design of efficient catalytic systems for these fundamental examples of chemical reactivity.

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

Hierarchical Hybrid Multifunctional Materials through Interface Engineering

This project focuses on the development of stimuli-responsive hybrid multifunctional materials. We place emphasis on the design, synthesis, structural characterization, evaluation of functional properties (electronic, thermal and optical) of several (1-x)Cu 2 Se/(x)WBGS hierarchical bulk composites between Cu 2 Se, a narrow band gap semiconductor (NBGS), with a range of wider band gap semiconductors (WBGS) such as CuMSe 2 (M = Al, Ga, In, Fe, Cr) and Cu 4 TiSe 4 . Cu2Se is a well-studied NBGS with excellent thermoelectric properties (high electrical conductivity, large thermopower, etc.) while CuMSe 2 and Cu 4 TiSe 4 are high performance solar absorber materials (large band gap, large absorption coefficient, etc.). Our primary objectives are (i) to demonstrate the ability to integrate dissimilar functional properties such as large optical absorption coefficient and high electronic conductivity, within (1-x)Cu 2 Se/(x)WBGS composite; and (ii) to establish the correlation between the hierarchical structural entanglement of Cu 2 Se with WBGS (CuMSe 2 or Cu 4 TiSe 4 ) phase, the interactions between native electronic defects within the coexisting phases in the resulting (1-x)Cu 2 Se/(x)WBGS bulk composites , and the impacts on their electronic conductivity, thermal transport and optical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Possible Spin-Triplet Excitonic Insulator in the Ultraquantum Limit of HfTe 5

More than 50 years ago, excitonic insulators formed by the pairing of electrons and holes due to Coulomb interactions were first predicted [A. N. Kozlov and L. A. Maksimov, Sov. J. Exp. Theor. Phys. 21, 790 (1965); L. V. Keldysh and Y. V. Kopaev, Sov. Phys. Solid State 6, 2219 (1965); D. Jérome, T. M. Rice, and W. Kohn, Phys. Rev. 158, 462 (1967)]. Since then, excitonic insulators have been observed in various classes of materials, including quantum Hall bilayers, graphite, transition metal chalcogenides, and more recently in moiré superlattices. In these excitonic insulators, an electron and a hole with the same spin bind together, and the resulting exciton is a spin singlet. Here, we report the experimental observation of a spin-triplet excitonic insulator in the ultra-quantum limit of a three-dimensional topological material HfTe 5 . We observe that the spin-polarized zeroth Landau bands dispersing along the field direction cross each other beyond a characteristic magnetic field in HfTe 5 , forming the one-dimensional Weyl mode. Transport measurements reveal the emergence of a gap of about 2⁢5⁢0 μ⁢eV when the field surpasses a critical threshold. By performing the material-specific modeling, we identify this gap as a consequence of a spin-triplet exciton formation, where electrons and holes with opposite spin form bound states, and the translational symmetry is preserved. The system reaches charge neutrality following the gap opening, as evidenced by the zero Hall conductivity over a wide magnetic field range (10–72 T). In conclusion, our finding of the spin-triplet excitonic insulator paves the way for studying novel spin transport including spin superfluidity, spin Josephson currents, and Coulomb drag of spin currents in analogy to the transport properties associated with the layer pseudospin in quantum Hall bilayers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

BitGNN: Unlocking the Performance Potential of Binary Graph Neural Networks on GPUs

Graph Neural Networks (GNNs) have shown compelling results in many graph-based learning tasks. They are, however, time-consuming. Recent work has shown a promising direction in improving GNN speed and shrinking the size — network binarization, which binarizes network values and operations. Prior work, however, mainly focused on algorithm designs, leaving it open on how to fully materialize the performance potential. This work fills the gap by proposing techniques to best map binary GNNs and their computations to fit the nature of bit manipulations, optimizations and algorithms to maximize BSpMM kernel efficiency, and solutions to other factors influencing the end-to-end time on GPUs. Results on real-world graphs show that the proposed techniques outperform state of-the-art binary GNN implementations by 21-67× with little accuracy loss.

Chen, Jou-An↗
DOE OSTI2015

Improving Fatigue Performance of AHSS Welds

Reported herein is technical progress on a U.S. Department of Energy CRADA project with industry cost-share aimed at developing the technical basis and demonstrate the viability of innovative in-situ weld residual stresses mitigation technology that can substantially improve the weld fatigue performance and durability of auto-body structures. The developed technology would be cost-effective and practical in high-volume vehicle production environment. Enhancing weld fatigue performance would address a critical technology gap that impedes the widespread use of advanced high-strength steels (AHSS) and other lightweight materials for auto body structure light-weighting. This means that the automotive industry can take full advantage of the AHSS in strength, durability and crashworthiness without the concern of the relatively weak weld fatigue performance. The project comprises both technological innovations in weld residual stress mitigation and due-diligence residual stress measurement and fatigue performance evaluation. Two approaches were investigated. The first one was the use of low temperature phase transformation (LTPT) weld filler wire, and the second focused on novel thermo-mechanical stress management technique. Both technical approaches have resulted in considerable improvement in fatigue lives of welded joints made of high-strength steels. Synchrotron diffraction measurement confirmed the reduction of high tensile weld residual stresses by the two weld residual stress mitigation techniques.

42 ENGINEERING↗
DOE OSTI2024

Spectral gaps of two- and three-dimensional many-body quantum systems in the thermodynamic limit

We present an expression for the spectral gap, opening up new possibilities for performing and accelerating spectral calculations of quantum many-body systems. We develop and demonstrate one such possibility in the context of tensor network simulations. Our approach requires only minor modifications of the widely used simple update method and is computationally lightweight relative to other approaches. We validate it by computing spectral gaps of the 2D and 3D transverse-field Ising models and find strong agreement with previously reported perturbation theory results. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Probing Electrode-Electrolyte Interfaces Using Nano-Gap Surface-Enhanced Raman Spectroscopy and Imaging

Performance of portable electronic devices and electric vehicles is currently limited by the energy density, lifetime and safety of lithium rechargeable batteries. Overcoming those limitations requires in-depth understanding of the electrode-electrolyte interfaces. Surface-enhanced Raman spectroscopy (SERS) can provide a critical component to this effort as an in situ technique with ultrahigh surface sensitivity that provides quantitative molecular specificity. SERS relies on local electromagnetic field amplification generated by surface plasmon resonance (SPR) at the surface of metal nanoparticles (NPs) with sub-wavelength dimensions. The most significant Raman enhancements have been observed when the local SPRs of multiple NPs interact. This occurs when the NPs are in close proximity (less than 10 nm), which could be achieved in ordered NP monolayers if they could be assembled reproducibly. Methods to assemble gold NPs into large area (cm2) monolayers will be presented. The interparticle gap can be tuned between 1 and 4 nm by using surface ligands of different sizes. The Au NP monolayers exhibit high SERS sensitivity (enhancement factor greater than 107). This allows for the measurement of electrolyte components across a broad range of concentrations. Components include lithium hexafluorophosphate (LiPF6), fluoroethylene carbonate (FEC), ethylene carbonate (EC) and diethyl carbonate (DEC). The investigation of solutions of LiPF6 in EC + DEC binary solvents using SERS allows for the determination of the solvent coordination numbers, which range from 2 to 5. This result is in sharp contrast to the bulk values calculated from infrared spectroscopy, which range from 3 to 7. Numerical simulations show that the electromagnetic field is concentrated in the nanogap, indicating the information of the aprotic electrolyte solution structures is obtained from the immediately adjacent area of the solid substrate. Our findings facilitate a better understanding of the structure of solvated ions in close proximity to the electrode surface.

Yang, Guang↗
DOE OSTI2018

Using ducted fuel injection to attenuate or prevent soot formation in mixing-controlled combustion strategies for engine applications

Ducted fuel injection is a strategy that can be used to enhance the fuel/charge-gas mixing within the combustion chamber of a direct-injection compression-ignition engine. The concept involves injecting the fuel through a small tube within the combustion chamber to make the most fuel-rich regions of the micture in the autoignition zone leaner relative to a conventional free-spray configuration (i.e., a fuel spray that is not surrounded by a duct). This study is a follow-on to initial proof-of-concept experiments that also were conducted in a constant-volume combustion vessel. While the initial natural luminosity imaging experiments demonstrated that ducted fuel injection lowers soot incandescence dramatically, this work adds a more quantitative diffuse back-illumination diagnostic to measure soot mass, as well as investigates the effects on performance of varying duct geometry (axial gap, length, diameter, and inlet and outlet shapes), ambient density, and charge-gas dilution level. The result is that ducted fuel injection is further proven to be effective at lowering soot by 35–100% across a wide range of operating conditions and geometries, and guidance is offered on geometric parameters that are most important for improving performance and facilitating packaging for engine applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2017

Bandgap Engineering of Lead‐Free Double Perovskite Cs 2 AgBiBr 6 through Trivalent Metal Alloying

Abstract The double perovskite family, A 2 M I M III X 6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3 . Given the generally large indirect band gap within most known double perovskites, band‐gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band‐gap engineering through alloying of In III /Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1− x M x )Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375 )Br 6 . Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three‐metal systems are also assessed.

Du, Ke‐zhao↗
NASA NTRS1982

Bubble domain technology for spacecraft onboard memory

Bubble device technologies for spacecraft onboard memory offer improved reliability and memory functional characteristics. Recent advances include Permalloy gap devices (commercially available) whose improved performance and higher density are attributable to an asymmetric chevron pattern. Secondly, an order of magnitude increase in density at less power than the Permalloy technology is possible with the ion implant technology. A third technology, the self-structured current access system, offers another order of magnitude improvement in density and data rate, and is being studied. Capacity estimates for Permalloy gap, ion implant, and self-structured current access systems are, respectively, 10 to the 8th, 10 to the 9th, and 10 to the 10th bits, and power per unit data rate efficiencies are 140, 60, and 2 W/Mbps. A flexible modular organization system, compatible with all of these device technologies, is analyzed, and, as the system is contained in a bubble, relatively simple retrofitting is foreseen.

Hayes, P. J.↗
DOE OSTI2023

Investigation of SF6 Alternatives in Spark Gap Switches for GWP Reduction

This primary purpose of this project was to evaluate alternative gas mixtures to sulfur hexafluoride (SF6) developed for high voltage power delivery applications for use in high voltage spark gap switches. These SF6 alternatives lower global warming potential emissions and enable improvements to the pressure-voltage design space. A combined experimental, computational, and theoretical study was used to quantify the impact of persistent breakdown products on the breakdown distribution of SF6-replacement gas mixtures. Viable SF6 replacements suitable for use in spark gap switches were studied to enable performance and agility improvements for next-generation pulsed power research relevant to national security missions. Experimental campaign included establishing parameters of switch gases as function of concentration. Various concentrations and pressures were tested for trends in breakdown voltage, repeatability, and durability, and breakdown constituents. A zero-dimensional plasma global model was used to simulate the plasma arc decay and recombination process in spark-gap switches relevant to the Z machine. Finally, a complete and consistent set of electron-neutral collision cross-sections for the novel insulating gas C4F7N is reported.

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

Review of Layered Transition Metal Oxide Materials for Cathodes in Sodium-Ion Batteries

The growing interest in sodium-ion batteries (SIBs) is driven by scarcity and the rising costs of lithium, coupled with the urgent need for scalable and sustainable energy storage solutions. Among various cathode materials, layered transition metal oxides have emerged as promising candidates due to their structural similarity to lithium-ion battery (LIB) counterparts and their potential to deliver high energy density at reduced costs. However, significant challenges remain, including limited capacity at high charge/discharge rates and structural instability during extended cycling. Addressing these issues is critical for advancing SIB technology toward industrial applications, particularly for large-scale energy storage systems. This review provides a comprehensive analysis of layered sodium transition metal oxides, focusing on their structural properties, electrochemical performance, and degradation mechanisms. Special attention is given to the intrinsic and extrinsic factors contributing to their instability, such as structural phase transitions, and cationic/anionic redox behavior. Additionally, recent advancements in material design strategies, including doping, surface modifications, and composite formation, are discussed to highlight the progress toward enhancing the stability and performance of these materials. This work aims to bridge the knowledge gaps and inspire further innovations in the development of high-performance cathodes for sodium-ion batteries.

Ahangari, Mehdi (ORCID:0000000345803969)↗
NASA NTRS1999

Development of Gas Gap Heat Switch Actuator for the Planck Sorption Cryocooler

We present the general principles of gas gap heat switches that impact their performances for the Planck cryocooler, develop two figures of merit relevant to this application, and present initial characterization results of switches using uranium or ZrNi as the hydriding material.

Gas Gap Heat Switch Actuator Cryocooler↗
DOE OSTI2014

The elastic and thermoelectric properties of the Zintl compound Ca{sub 5}Al{sub 2}Sb{sub 6} under high pressure

The elastic and thermoelectric properties of Ca{sub 5}Al{sub 2}Sb{sub 6} under pressure are studied using ab initio calculation and semiclassical Boltzmann theory. The calculated elastic constants and minimum thermal conductivity indicate that Ca{sub 5}Al{sub 2}Sb{sub 6} exhibits an anisotropic structure and high thermoelectric performance. The size of the band gap shows a nonlinear change with increasing pressure. Based on the electronic structure, the calculated thermoelectric parameters show that the Seebeck coefficient has no obvious change under pressure, whereas the electrical conductivity improves with increasing pressure. Therefore, the power factor increases at an appropriate pressure of P = 2.6 GPa. P-type doping of Ca{sub 5}Al{sub 2}Sb{sub 6} may achieve better thermoelectric performance than n-type doping, in agreement with experiment. The anisotropic thermoelectric properties of Ca{sub 5}Al{sub 2}Sb{sub 6} indicate that the thermoelectric performance along the z-direction is superior to other directions. This is attributed to the combination of the large dispersion and high band degeneracy along the Γ-Z direction in the band structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An experimental investigation on the characteristics of heat pipes with annular type composite wick structure

Here, an experimental investigation has been conducted on the hydraulic characteristics of annular type wick structures for heat pipes. An experimental facility which can measure porosity, permeability, and effective pore radius of the wick structures in a vacuum condition is established. Nine different types of multi-layered (6 layers in total) composite screen meshes are characterized. Based on the measurement results, a wick structure composed of one layer of 100×100 mesh, three layers of 400×400 mesh, and two layers of 60×60 mesh is determined to have the highest permeability to effective pore radius ratio $(K/r_{eff})$ and was selected as a targeted sample. The wick-to-wall gap effect on the hydraulic characteristics of annular type wick structure is also investigated by measuring the permeability and effective pore radius of the sample wick structure with varying gap widths. The result shows that the permeability increases as the gap increases from 0 mm to 1.2 mm. After a peak at 1.2 mm, the permeability decreases as the gap increases and converges to the value of the case measured without a wall structure. The effective pore radius becomes smaller as the gap increases, making a peak at a gap distance of 1.2 mm. This result implies that there is an optimal point in gap distance which is determined to be 1.2 mm for the selected composite mesh structure. A capillary limitation correlation with a multiplying factor which explains the enhanced performance of the wick due to the gap is suggested. An annular wick type heat pipe is constructed and tested. The capillary limitation of the heat pipe showed good agreement with the suggested correlation.

42 ENGINEERING↗
DOE OSTI2021

Technical note: Uncertainties in eddy covariance CO 2 fluxes in a semiarid sagebrush ecosystem caused by gap-filling approaches

Abstract. Gap-filling eddy covariance CO2 fluxes is challenging at dryland sites due to small CO2 fluxes. Here, four machine learning (ML) algorithms including artificial neural network (ANN), k-nearest neighbors (KNNs), random forest (RF), and support vector machine (SVM) are employed and evaluated for gap-filling CO2 fluxes over a semiarid sagebrush ecosystem with different lengths of artificial gaps. The ANN and RF algorithms outperform the KNN and SVM in filling gaps ranging from hours to days, with the RF being more time efficient than the ANN. Performances of the ANN and RF are largely degraded for extremely long gaps of 2 months. In addition, our results suggest that there is no need to fill the daytime and nighttime net ecosystem exchange (NEE) gaps separately when using the ANN and RF. With the ANN and RF, the gap-filling-induced uncertainties in the annual NEE at this site are estimated to be within 16 g C m−2, whereas the uncertainties by the KNN and SVM can be as large as 27 g C m−2. To better fill extremely long gaps of a few months, we test a two-layer gap-filling framework based on the RF. With this framework, the model performance is improved significantly, especially for the nighttime data. Therefore, this approach provides an alternative in filling extremely long gaps to characterize annual carbon budgets and interannual variability in dryland ecosystems.

Yao, Jingyu↗
DOE OSTI2019

Progress of indirect drive inertial confinement fusion in the United States

Abstract Indirect drive converts high power laser light into x-rays using small high- Z cavities called hohlraums. X-rays generated at the hohlraum walls drive a capsule filled with deuterium–tritium (DT) fuel to fusion conditions. Recent experiments have produced fusion yields exceeding 50 kJ where alpha heating provides ~3× increase in yield over PdV work. Closing the gaps toward ignition is challenging, requiring optimization of the target/implosions and the laser to extract maximum energy. The US program has a three-pronged approach to maximize target performance, each closing some portion of the gap. The first item is optimizing the hohlraum to couple more energy to the capsule while maintaining symmetry control. Novel hohlraum designs are being pursued that enable a larger capsule to be driven symmetrically to both reduce 3D effects and increase energy coupled to the capsule. The second issue being addressed is capsule stability. Seeding of instabilities by the hardware used to mount the capsule and fill it with DT fuel remains a concern. Work reducing the impact of the DT fill tubes and novel capsule mounts is being pursed to reduce the effect of mix on the capsule implosions. There is also growing evidence native capsule seeds such as a micro-structure may be playing a role on limiting capsule performance and dedicated experiments are being developed to better understand the phenomenon. The last area of emphasis is the laser. As technology progresses and understanding of laser damage/mitigation advances, increasing the laser energy seems possible. This would increase the amount of energy available to couple to the capsule, and allow larger capsules, potentially increasing the hot spot pressure and confinement time. The combination of each of these focus areas has the potential to produce conditions to initiate thermo-nuclear ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗