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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

ATHENA: Analytical Tool for Heterogeneous Neuromorphic Architectures

The ASC program seeks to use machine learning to improve efficiencies in its stockpile stewardship mission. Moreover, there is a growing market for technologies dedicated to accelerating AI workloads. Many of these emerging architectures promise to provide savings in energy efficiency, area, and latency when compared to traditional CPUs for these types of applications — neuromorphic analog and digital technologies provide both low-power and configurable acceleration of challenging artificial intelligence (AI) algorithms. If designed into a heterogeneous system with other accelerators and conventional compute nodes, these technologies have the potential to augment the capabilities of traditional High Performance Computing (HPC) platforms [5]. This expanded computation space requires not only a new approach to physics simulation, but the ability to evaluate and analyze next-generation architectures specialized for AI/ML workloads in both traditional HPC and embedded ND applications. Developing this capability will enable ASC to understand how this hardware performs in both HPC and ND environments, improve our ability to port our applications, guide the development of computing hardware, and inform vendor interactions, leading them toward solutions that address ASC’s unique requirements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

High-Performance CO 2 Capture from Air by Harnessing the Power of CaO- and Superbase-Ionic-Liquid-Engineered Sorbents

Direct air capture (DAC) of CO 2 by solid porous materials represents an attractive “negative emission” technology. However, state-of-the-art sorbents based on supported amines still suffer from unsolved high energy consumption and stability issues. For this work, taking clues from the CO 2 interaction with superbase-derived ionic liquids (SILs), high-performance and tunable sorbents in DAC of CO 2 was developed by harnessing the power of CaO- and SIL-engineered sorbents. Deploying mesoporous silica as the substrate, a thin CaO layer was first introduced to consume the surface-OH groups, and then active sites with different basicities (e. g., triazolate and imidazolate) were introduced as a uniformly distributed thin layer. The as-obtained sorbents displayed high CO 2 uptake capacity via volumetric (at 0.4 mbar) and breakthrough test (400 ppm CO 2 source), rapid interaction kinetics, facile CO 2 releasing, and stable sorption/desorption cycles. Operando diffuse reflectance infrared Fourier transformation spectroscopy (DRIFTS) analysis under simulated air atmosphere and solid-state NMR under 13 CO 2 atmosphere demonstrated the critical roles of the SIL species in low-concentration CO 2 capture. The fundamental insights obtained in this work provide guidance on the development of high-performance sorbents in DAC of CO 2 by leveraging the combined advantages of porous solid scaffolds and the unique features of CO 2 -philic ionic liquids.

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

Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

Development of high capacity anode materials is one of the essential strategies for next-generation high-performance Li/Na-ion batteries. Rational design, using density functional theory, can expedite the discovery of these anode materials. Here, we propose a new anode material, germanium carbide, g-GeC, for Li/Na-ion batteries. Our results show that g-GeC possesses both benefits of the high stability of graphene and the strong interaction between Li/Na and germanene. The single-layer germanium carbide, g-GeC, can be lithiated/sodiated on both sides yielding Li 2 GeC and Na 2 GeC with a storage capacity as high as 633 mA h/g. Besides germagraphene’s 2D honeycomb structure, fast charge transfer, and high (Li/Na)-ion diffusion and negligible volume change further enhance the anode performance. These findings provide valuable insights into the electronic characteristics of newly predicted 2D g-GeC nanomaterial as a promising anode for (Li/Na)-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Hydride Accessibility and Reactivity in the Configurational and Stoichiometric Space of β-Ga 2 O 3 for CO 2 Hydrogenation

Understanding how surface species evolve under reaction conditions is essential for improving catalyst design for efficient CO 2 hydrogenation. This work combines systematic DFT calculations with grand canonical sampling to investigate the stability and reactivity of Ga–H species on β-Ga 2 O 3 across a range of reaction conditions. Initial DFT studies reveal that when Ga–H species are present, they facilitate formate formation via a low-barrier pathway, largely independent of the surface termination or hydrogen site. However, grand canonical sampling shows that under a broad range of reaction conditions─especially at high oxygen chemical potentials associated with high water content─Ga–H species are thermodynamically inaccessible. Furthermore, adsorbed water molecules can block reactive sites, inhibiting CO 2 activation even when hydrides are present. These findings suggest that the lack of accessible hydride species, rather than their intrinsic reactivity, could contribute to reduced catalytic performance of β-Ga 2 O 3 under more oxidizing, high-conversion conditions.

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

Adhesive Polymers as Efficient Binders for High-Capacity Silicon Electrodes

The major cause for capacity fading of silicon nanoparticle (SiNP)-based electrodes is the immense pressure applied toward the conductive networks during the charge/discharge process. While numerous efforts have been devoted to investigating different types of polymer binders, the rational design of an adhesive binder with pressure sensitivity has rarely been reported. Herein, a series of pressure-sensitive adhesives (PSAs) synthesized via copolymerization of 2-ethylhexyl acrylate (2-EHA) and acrylic acid (AA) are evaluated as polymer binders for SiNP-based electrodes. The balance between the density of interaction groups and viscoelastic properties is systematically investigated for efficient binding performance. The SiNP-based electrode using PSA with 20 mol % of 2-EHA (Si-PSA-20%) exhibits excellent electrochemical performance, achieving a capacity retention of 83% at the 100th cycle compared with 54% for Si-PAA after activation. Si-PSA-20% also delivers a superior cycling performance at a high current density (1731 mAh g –1 after 350 cycles vs 719 mAh g –1 after 150 cycles for Si-PAA, 1.8 A g –1 ) and at high mass loading of active materials (capacity retention of 74 vs 38% for Si-PAA after 100 cycles, SiNP content ~1.2 mg cm –2 ). Atomic force microscopy (AFM), peel tests, and Car–Parrinello molecular dynamics (CPMD) simulations are employed to understand their binder performance. The novel design and systematical investigation of PSAs as binders will definitely be appealing for not only the Si electrode but also for other high-energy-density electrode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dual-Color Optical Recording of Bioelectric Potentials by Polymer Electrochromism

Optical recording based on voltage-sensitive fluorescent reporters allows for spatial flexibility of measuring from desired cells, but photobleaching and phototoxicity of the fluorescent labels often limit their sensitivity and recording duration. Voltage-dependent optical absorption, rather than fluorescence, of electrochromic materials, would overcome these limitations to achieve long-term optical recording of bioelectrical signals. Electrochromic materials such as PEDOT:PSS possess the property that an applied voltage can either increase or decrease the light absorption depending on the wavelength. In this work, we harness this anticorrelated light absorption at two different wavelengths to significantly improve the signal detection. With dual-color detection, electrical activity from cells produces signals of opposite polarity, while artifacts, mechanical motions, and technical noises are uncorrelated or positively correlated. Using this technique, we are able to optically record cardiac action potentials with a high signal-to-noise ratio, 10 kHz sampling rate, >15 min recording duration, and no time-dependent degradation of the signal. Furthermore, we can reliably perform multiple recording sessions from the same culture for over 25 days.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Machine Learning Assisted Synthesis of Metal–Organic Nanocapsules

Herein, we report machine learning algorithms by training data sets from a set of both successful and failed experiments for studying the crystallization propensity of metal–organic nanocapsules (MONCs). Among a variety of studied machine learning algorithms, XGBoost affords the highest prediction accuracy of >90%. The derived chemical feature scores that determine importance of reaction parameters from the XGBoost model assist to identify synthesis parameters for successfully synthesizing new hierarchical structures of MONCs, showing superior performance to a well-trained chemist. This work demonstrates that the machine learning algorithms can assist the chemists to faster search for the optimal reaction parameters from many experimental variables, whose features are usually hidden in the high-dimensional space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Expeditious Coordination-Driven Construction of Hierarchically Nanoporous Barium Salts

Organic moieties-derived salts with permanent porosity and polarized channels have shown unique features and attractive performance in the field of adsorption, separation, and conduction. However, state-of-the-art organic salts generally rely on ionic interaction and hydrogen bonding formation to maintain the porous channels. The synthesis of organic moiety-derived salts with permanent accessible pores even after removal of the trapped guest molecules, and without the constraint of hydrogen bonding formation still remains a great challenge. Herein, we present an expeditious construction pathway to generate hierarchically nanoporous barium salts without hydrogen bonding formation. The strong ionic interaction of the barium cation and sulfonate anions led to rapid reaction equilibrium (~2 min), affording diverse barium-derived ionic polymer (Ba-IP) with permanent porosity and highly polarized channels. The produced Ba-IP materials with abundant cations and anions displayed high CO 2 /N 2 and CO 2 /CH 4 separation performance, with the selectivities reaching up to 89.5 and 280, respectively, at 273 K, surpassing most of the organic polymers functionalized by ionic moieties.

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

Glancing Angle Deposition in Gas Sensing: Bridging Morphological Innovations and Sensor Performances

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO2, CO, H2S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies.

Chemistry↗
NASA NTRS1979

Computer and laboratory simulation of interactions between spacecraft surfaces and charged-particle environments

Cases where the charged-particle environment acts on the spacecraft (e.g., spacecraft charging phenomena) and cases where a system on the spacecraft causes the interaction (e.g., high voltage space power systems) are considered. Both categories were studied in ground simulation facilities to understand the processes involved and to measure the pertinent parameters. Computer simulations are based on the NASA Charging Analyzer Program (NASCAP) code. Analytical models are developed in this code and verified against the experimental data. Extrapolation from the small test samples to space conditions are made with this code. Typical results from laboratory and computer simulations are presented for both types of interactions. Extrapolations from these simulations to performance in space environments are discussed.

Stevens, N. J.↗
NASA NTRS1982

Nonlinear structural and life analyses of a turbine blade

The most critical structural requirements that aircraft gas turbine engines must meet result from the diversity of extreme environmental conditions in the turbine section components. Accurate life assessment of the components under these conditions requires sound analytical tools and techniques. The utility of advanced structural analysis techniques and advanced life prediction techniques in the life assessment of hot-section components was evaluated. The extend to which a three-dimensional cyclic isoparametric finite element analysis of a hot-section component would improve the accuracy of component life predictions was assessed. At the same time, high temperature life prediction theories such as strainrange partitioning and the frequency modified approaches were applied and their efficiency judged. A stress analysis was performed on a commercial air-cooled turbine blade. The evaluation of the life prediction methods indicated that none of those studied were satisfactory.

Kaufman, A.↗
NASA NTRS1988

A comparison of experimental and theoretical results for labyrinth gas seals with honeycomb stators

Experimental results for the rotordynamic stiffness and damping coefficients of a labyrinth -rotor honeycomb-stator seal are presented. The coefficients are compared to the coefficients of a labyrinth-rotor smooth-stator seal having the same geometry. The coefficients are compared to analytical results from a two-control-volume compressible flow model. The experimental results show that the honeycomb stator configuration is more stable than the smooth stator configuration at low rotor speeds. At high rotor speeds and low clearance, the smooth stator seal is more stable. The theoretical model predicts the cross-coupled stiffness of the honeycomb stator seal correctly within 25 percent of measured values. The model provides accurate predictions of direct damping for large clearance seals. Overall, the model does not perform as well for low clearance seals as for high clearance seals.

Hawkins, Lawrence Allen↗
NASA NTRS1987

An integrated approach for friction damper design

A procedure is outlined for determining the optimal design of friction dampers for high speed turbomachinery blading. The procedure includes: an integration of bench test results with finite element analysis and a single mode blade model to ensure accuracy of the analytical model and improve reliability of the friction damper design; an extension of the single mode blade model to predict the engine behavior of friction dampers; and a new way of viewing analytical and experimental results to determine optimal design parameters when the levels of excitation and damping in the system are unknown. Analysis and experiments are performed on a test disk in order to demonstrate and verify the accuracy of the design procedure.

Cameron, T. M.↗
NASA NTRS1990

Models of space averaged energetics of plates

The analysis of high frequency vibrations in plates is of particular interest in the study of structure borne noise in aircrafts. The current methods of analysis are either too expensive (finite element method) or may have a confidence band wider than desirable (Statistical Energy Analysis). An alternative technique to model the space and time averaged response of structural acoustics problems with enough detail to include all significant mechanisms of energy generation, transmission, and absorption is highly desirable. The focus of this paper is the development of a set of equations which govern the space and time averaged energy density in plates. To solve this equation, a new type of boundary value problem must be treated in terms of energy density variables using energy and intensity boundary conditions. A computer simulation verification study of the energy governing equation is performed. A finite element formulation of the new equations is also implemented and several test cases are analyzed and compared to analytical solutions.

Bouthier, O. M.↗
NASA NTRS1990

Introduction to the internal fluid mechanics research session

Internal fluid mechanics research at LeRC is directed toward an improved understanding of the important flow physics affecting aerospace propulsion systems, and applying this improved understanding to formulate accurate predictive codes. To this end, research is conducted involving detailed experimentation and analysis. The following three papers summarize ongoing work and indicate future emphasis in three major research thrusts: inlets, ducts, and nozzles; turbomachinery; and chemical reacting flows. The underlying goal of the research in each of these areas is to bring internal computational fluid mechanic to a state of practical application for aerospace propulsion systems. Achievement of this goal requires that carefully planned and executed experiments be conducted in order to develop and validate useful codes. It is critical that numerical code development work and experimental work be closely coupled. The insights gained are represented by mathematical models that form the basis for code development. The resultant codes are then tested by comparing them with appropriate experiments in order to ensure their validity and determine their applicable range. The ultimate user community must be a part of this process to assure relevancy of the work and to hasten its practical application. Propulsion systems are characterized by highly complex and dynamic internal flows. Many complex, 3-D flow phenomena may be present, including unsteadiness, shocks, and chemical reactions. By focusing on specific portions of a propulsion system, it is often possible to identify the dominant phenomena that must be understood and modeled for obtaining accurate predictive capability. The three major research thrusts serve as a focus leading to greater understanding of the relevant physics and to an improvement in analytic tools. This in turn will hasten continued advancements in propulsion system performance and capability.

Miller, Brent A.↗
NASA NTRS1993

Orbit transfer rocket engine technology program

An advanced near term (1990's) space-based Orbit Transfer Vehicle Engine (OTVE) system was designed, and the technologies applicable to its construction, maintenance, and operations were developed under Tasks A through F of the Orbit Transfer Rocket Engine Technology Program. Task A was a reporting task. In Task B, promising OTV turbomachinery technologies were explored: two stage partial admission turbines, high velocity ratio diffusing crossovers, soft wear ring seals, advanced bearing concepts, and a rotordynamic analysis. In Task C, a ribbed combustor design was developed. Possible rib and channel geometries were chosen analytically. Rib candidates were hot air tested and laser velocimeter boundary layer analyses were conducted. A channel geometry was also chosen on the basis of laser velocimeter data. To verify the predicted heat enhancement effects, a ribbed calorimeter spool was hot fire tested. Under Task D, the optimum expander cycle engine thrust, performance and envelope were established for a set of OTV missions. Optimal nozzle contours and quick disconnects for modularity were developed. Failure Modes and Effects Analyses, maintenance and reliability studies and component study results were incorporated into the engine system. Parametric trades on engine thrust, mixture ratio, and area ratio were also generated. A control system and the health monitoring and maintenance operations necessary for a space-based engine were outlined in Task E. In addition, combustor wall thickness measuring devices and a fiberoptic shaft monitor were developed. These monitoring devices were incorporated into preflight engine readiness checkout procedures. In Task F, the Integrated Component Evaluator (I.C.E.) was used to demonstrate performance and operational characteristics of an advanced expander cycle engine system and its component technologies. Sub-system checkouts and a system blowdown were performed. Short transitions were then made into main combustor ignition and main stage operation.

Gustafson, N. B.↗
NASA NTRS2018

Geometry and Joint Systems for Lattice-Based Reconfigurable Space Structures

We describe analytical methods for the design of the discrete elements of ultralight lattice structures. This modular, building block strategy allows for relatively simple element manufacturing, as well as relatively simple robotic assembly of low mass density structures on orbit, with potential for disassembly and reassembly into highly varying and large structures. This method also results in a structure that is easily navigable by relatively small mobile robots. The geometry of the cell can allow for high packing efficiency to minimize wasted payload volume while maximizing structural performance and constructability. We describe the effect of geometry choices on the final system mechanical properties, manufacturability of the components, and automated robotic constructability of a final system. Geometry choices considered include building block complexity, symmetry of the unit cell, and effects of vertex, edge, and face connectivity of the unit cell. Mechanical properties considered include strength scaling, modulus scaling, and structural performance of the joint, including proof load, shear load, mass, and loading area; as well as validation and verification opportunities. Manufacturability metrics include cost and time, manufacturing method (COTS versus custom), and tolerances required. Automated constructability metrics include local effects of loads imparted to the structure by the robot and assembly complexity, encompassing the ability of the robot to clamp and number of placement motions needed for assembly.

Ochalek, Megan E.↗
NASA NTRS2019

Geometry Systems for Lattice-Based Reconfigurable Space Structures

We describe analytical methods for the design of the discrete elements of ultralight lattice structures. This modular, building block strategy allows for relatively simple element manufacturing, as well as relatively simple robotic assembly of low mass density structures on orbit, with potential for disassembly and reassembly into highly varying and large structures. This method also results in a structure that is easily navigable by relatively small mobile robots. The geometry of the cell can allow for high packing efficiency to minimize wasted payload volume while maximizing structural performance and constructability. We describe the effect of geometry choices on the final system mechanical properties and automated robotic constructability of a final system. Geometric properties considered include number of attachments per voxel, number of attachments per coefficient of volume, and effects of vertex, edge, and face connectivity of the unit cell. Mechanical properties considered include strength scaling, modulus scaling, and packing efficiency of the lattice. Automated constructibility metrics include volume allowance for an end-effector, strut clearance angle for an end-effector, and packing efficiency. These metrics were applied to six lattice unit cell geometries: cube, cuboctahedron, octahedron, octet, rhombic dodecahedron, and truncated octahedron. A case study is presented to determine the most suitable lattice system for a specific set of strength and modulus scaling requirements while optimizing for ease of robotic assembly.

lattice geometry↗