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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 289 records · Page 16

Neutralizer Characterization of a NEXT Multi-Thruster Array With Electrostatic Probes

Neutralizers in a multi-thruster array configuration were characterized using conventional diagnostics such as peak-to-peak keeper oscillation amplitude as well as unconventional methods which featured the application of electrostatic probes. The response of the array local plasma environment to neutralizer flow rate changes were documented using Langmuir probes and retarding potential analyzers. Such characterization is necessary for system efficiency and stability optimization. Because the local plasma environment was measured in conjunction with the neutralizer characterization, particle fluxes at the array and thus array lifetime impacts associated with neutralizer operating mode could also be investigated. Neutralizer operating condition was documented for a number of multithruster array configurations ranging from three-engines, three-neutralizers to a single engine, one-neutralizer all as a function of neutralizer flow rate.

Foster, John E.↗

Surface Ligand Effects on Energetics, Charge Transfer, and Stability at Interfaces Between Metal Halide Perovskites and Organic Semiconductors

Chemistry at organic-inorganic interfaces plays a major role in determining the performance of electronic and optoelectronic devices. Understanding, developing, and using surface chemistry is thus essential for creating improved and novel materials and devices. Organic metal halide perovskites (HPs) are inexpensive semiconductors that can be printed from solution to make efficient photovoltaic cells for harvesting solar energy, light emitting diodes for energy efficient solid-state lighting applications, solid-state lasers, and even spin selective devices with applications to quantum computing. To realize the potential of HPs, their surface chemistry and interfacial properties must be better understood and appropriately adjusted to meet the needs of the targeted application. For example, surface chemistry influences non-radiative recombination, which influences the efficiency of light emission and solar energy conversion, charge-carrier injection and extraction from optoelectronic devices, and material and device stability. This research project centered around determining how the surface chemistry of HP thin films and nanoparticles influences optical properties, charge transfer processes, energetics, and stability. In this project we characterized ligand binding strengths to HPs; determined how surface ligand chemistry influences photoluminescence properties, energetics, and charge transfer processes; determined that surface ligands often penetrate into HPs and uncovered methods of reducing surface ligand penetration through structural modifications; and discovered how interfacial energetics impact charge transfer processes and photovoltaic performance parameters. Overall, this research established important insights into how surface ligands interact with HPs to influence their optical properties, electronic properties, stability, and device level performance.

14 SOLAR ENERGY↗

Role of Zeolite Structural Properties toward Iodine Capture: A Head-to-head Evaluation of Framework Type and Chemical Composition

This study evaluated zeolite-based sorbents for iodine gas [I2(g)] capture. Based on the framework structures and porosities, five zeolites, including two faujasite (FAU), one ZSM-5 (MFI), one mesoMFI, one ZSM-22 (TON), as well as two mesoporous materials, were evaluated for I2(g) capture at room temperature and 150 °C in an iodine-saturated environment. From these preliminary studies, the three best-performing zeolites were ion-exchanged with Ag+ and evaluated for I2(g) capture under similar conditions. Energy-dispersive X-ray spectroscopy data suggest that Ag-FAU frameworks were the materials with the highest capacity for I2(g) in this study, showing ~3× higher adsorption compared to Ag-mordenite (Ag-MOR) at room temperature, but X-ray diffraction measurements show that the faujasite structure collapsed during the adsorption studies because of dealumination. The Ag-MFI zeolites are decent sorbents in real-life applications, showing both good sorption capacities and higher stability. In-depth analyses and characterizations, including synchrotron X-ray absorption spectroscopy, revealed the influence of structural and chemical properties of zeolites on the performance for iodine adsorption from the gas phase.

aluminosilicate zeolites, iodine, porosity, acidit↗

Non -degenerate marginal-likelihood calibration with application to quantum characterization

Here, we propose a marginal likelihood strategy within the Kennedy-O’Hagan (KOH) Bayesian framework, where a Gaussian process (GP) models the discrepancy between a physical system and its simulator. Our approach introduces a novel marginalized likelihood by integrating out the degenerate eigenspace of the covariance matrix, rather than approximating the original likelihood. Unlike approximation methods that compromise accuracy for computational efficiency, our method defines an exact likelihood—distinct from the original but preserving all relevant information. This formulation achieves computational efficiency and stability, even for large datasets where the covariance matrix nears degeneracy. Applied to the characterization of a superconducting quantum device at Lawrence Livermore National Laboratory, the approach enhances the predictive accuracy of the Lindblad master equations for modeling Ramsey measurement data by effectively quantifying uncertainties consistent with the quantum data.

general physics↗

Versatile tape-drive target for high-repetition-rate laser-driven proton acceleration

We present the development and characterization of a high-stability, multi-material, multi-thickness tape-drive target for laser-driven acceleration at repetition rates of up to 100 Hz. The tape surface position was measured to be stable on the sub-micrometre scale, compatible with the high-numerical aperture focusing geometries required to achieve relativistic intensity interactions with the pulse energy available in current multi-Hz and near-future higher repetition-rate lasers ( > kHz). Long-term drift was characterized at 100 Hz demonstrating suitability for operation over extended periods. The target was continuously operated at up to 5 Hz in a recent experiment for 70,000 shots without intervention by the experimental team, with the exception of tape replacement, producing the largest data-set of relativistically intense laser–solid foil measurements to date. This tape drive provides robust targetry for the generation and study of high-repetition-rate ion beams using next-generation high-power laser systems, also enabling wider applications of laser-driven proton sources.

47 OTHER INSTRUMENTATION↗

Thermal Analysis of the Advanced Technology Large Aperture Space Telescope (ATLAST) 8 Meter Primary Mirror

The Advanced Technology Large Aperture Space Telescope (ATLAST) preliminary design concept consists of an 8 meter diameter monolithic primary mirror enclosed in an insulated, optical tube with stray light baffles and a sunshade. ATLAST will be placed in orbit about the Sun-Earth L2 and will experience constant exposure to the sun. The insulation on the optical tube and sunshade serve to cold bias the telescope which helps to minimize thermal gradients. The primary mirror will be maintained at 280K with an active thermal control system. The geometric model of the primary mirror, optical tube, sun baffles, and sunshade was developed using Thermal Desktop(R) SINDA/FLUINT(R) was used for the thermal analysis and the radiation environment was analyzed using RADCAD(R). A XX node model was executed in order to characterize the static performance and thermal stability of the mirror during maneuvers. This is important because long exposure observations, such as extra-solar terrestrial planet finding and characterization, require a very stable observatory wave front. Steady state thermal analyses served to predict mirror temperatures for several different sun angles. Transient analyses were performed in order to predict thermal time constant of the primary mirror for a 20 degree slew or 30 degree roll maneuver. This paper describes the thermal model and provides details of the geometry, thermo-optical properties, and the environment which influences the thermal performance. All assumptions that were used in the analysis are also documented. Parametric analyses are summarized for design parameters including primary mirror coatings and sunshade configuration. Estimates of mirror heater power requirements are reported. The thermal model demonstrates results for the primary mirror heated from the back side and edges using a heater system with multiple independently controlled zones.

Hornsby, Linda↗

First-Principles Characterization of Surface Phonons of Halide Perovskite CsPbI 3 and Their Role in Stabilization

The stability of halide perovskites has been a long-standing issue for their real-world application. Approaches to improve stability include nanostructuring, dimensionality reduction, and strain engineering, where surfaces play an important role in the formation of a stable structure. To understand the mechanism we compute the lattice dynamics of the surface of CsPbI 3 using density functional theory. We demonstrate, for the first time, that CsPbI 3 crystals exhibit surface phonons that are localized on the outermost layers of the slabs, and we perform a complete symmetry characterization including an identification of the Raman/IR active modes. These surface phonons are present in the optically active cubic phase but are absent in the optically inactive "yellow" phase. Furthermore, we show that the surface suppresses bulk instabilities by hardening soft modes of the bulk cubic phase, resulting in phase stabilization and quenching of dynamical disorder. Finally, this study is fundamental for understanding the structural behavior of halide perovskite materials with high surface area-to-volume ratios, and for guiding stabilization strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design of Next-Gen Cathode Materials With Both Cation and Anion Redox

Among all candidates of positive electrode materials for lithium ion batteries, the lithium rich layered oxides have gained growing research interests in recent years. Their energy density can reach closely to 700-900Wh/g (at materials level), making them the positive electrode materials with highest energy density among all known intercalation compounds for cathode materials. Combining both first principles computation, advanced electron and X-ray based imaging, we demonstrated that in the Li-rich materials oxygen vacancies are present and assist the transition metal ion migration through a facile mechanism. This means it is critically important to control the oxygen activities in these compounds for high voltage operations. In addition, the NiMn spinel oxides show little oxygen activities and under optimized synthesis condition the electrolyte/electrode interface showed superior stability. Combining the strengths of materials synthesis and the advanced characterization, I will discuss in details the strategies for stabilizing the anion redox for higher voltage electrode materials for lithium ion batteries.

Meng, Ying Shirley↗

Chemical Robotics Enabled Exploration of Stability in Multicomponent Lead Halide Perovskites via Machine Learning

Metal halide perovskites have attracted immense interest as a promising material for a variety of optoelectronic and sensing applications. However, issues regarding long-term stability have emerged as the key bottleneck for commercialization. Here, we develop an automated experimental workflow based on combinatorial synthesis and rapid throughput characterization to explore long-term stability of these materials in ambient conditions. We apply it to four model perovskite systems: MA x FA y Cs 1–x–y PbBr 3 , MA x FA y Cs 1–x–y PbI 3 , Cs x FA y MA 1–x–y Pb(Br x+y I 1–x–y ) 3 , and Cs x MA y FA 1–x–y Pb(I x+y Br 1–x–y ) 3 . Non-negative matrix factorization and Gaussian process regression are used to interpolate the photoluminescent behavior of the phase diagram. This interpolative regression analysis helps to distinguish mixtures that form solid solutions from those that segregate into multiple materials, pointing out the most stable regions of the phase diagram. Here, we find stability dependence on composition to be nonuniform within the composition space, suggesting the presence of potential preferential compositional regions. This proposed workflow is universal and can be applied to other solution-processable materials.

36 MATERIALS SCIENCE↗

Atomic Clock Based on Opto-Electronic Oscillator

A proposed highly accurate clock or oscillator would be based on the concept of an opto-electronic oscillator (OEO) stabilized to an atomic transition. Opto-electronic oscillators, which have been described in a number of prior NASA Tech Briefs articles, generate signals at frequencies in the gigahertz range characterized by high spectral purity but not by longterm stability or accuracy. On the other hand, the signals generated by previously developed atomic clocks are characterized by long-term stability and accuracy but not by spectral purity. The proposed atomic clock would provide high spectral purity plus long-term stability and accuracy a combination of characteristics needed to realize advanced developments in communications and navigation. In addition, it should be possible to miniaturize the proposed atomic clock. When a laser beam is modulated by a microwave signal and applied to a photodetector, the electrical output of the photodetector includes a component at the microwave frequency. In atomic clocks of a type known as Raman clocks or coherent-population-trapping (CPT) clocks, microwave outputs are obtained from laser beams modulated, in each case, to create two sidebands that differ in frequency by the amount of a hyperfine transition in the ground state of atoms of an element in vapor form in a cell. The combination of these sidebands produces a transparency in the population of a higher electronic level that can be reached from either of the two ground-state hyperfine levels by absorption of a photon. The beam is transmitted through the vapor to a photodetector. The components of light scattered or transmitted by the atoms in the two hyperfine levels mix in the photodetector and thereby give rise to a signal at the hyperfine- transition frequency. The proposed atomic clock would include an OEO and a rubidium- or cesium- vapor cell operating in the CPT/Raman regime (see figure). In the OEO portion of this atomic clock, as in a typical prior OEO, a laser beam would pass through an electro-optical modulator, the modulated beam would be fed into a fiber-optic delay line, and the delayed beam would be fed to a photodetector. The electrical output of the photodetector would be detected, amplified, filtered, and fed back to the microwave input port of the modulator. The laser would be chosen to have the same wavelength as that of the pertinent ground-state/higher-state transition of the atoms in the vapor. The modulator/ filter combination would be designed to operate at the microwave frequency of the hyperfine transition. Part of the laser beam would be tapped from the fiberoptic loop of the OEO and introduced into the vapor cell. After passing through the cell, this portion of the beam would be detected differentially with a tapped portion of the fiber-optically-delayed beam. The electrical output of the photodetector would be amplified and filtered in a loop that would control a DC bias applied to the modulator. In this manner, the long-term stability and accuracy of the atomic transition would be transferred to the OEO.

Maleki, Lute↗

Electroanalytical characterization of Np( VI )/Np( V ) redox in a pentadentate ligand environment and stabilization of [Np V O 2 ] + by hydrogen bonding

The redox chemistry of the actinyl cations (AnO 2 n+ ) heavily influences their reactivity and speciation in solution, but the redox properties of the actinyls in non-aqueous media have received far less attention than they deserve. Here, the non-aqueous electrochemistry of a chemically reversible Np(VI)/Np(V) redox manifold is reported in both protic (CH 3 OH) and aprotic (CH 3 CN) organic media. Using a neutral Np(VI) complex supported by a chelating and strongly donating pentadentate ligand that was fully characterized in prior work, a clean Np(VI)/Np(V) redox couple was found to be accessible under ambient conditions. Coupled electrochemical and spectroscopic studies, as well as simulations of cyclic voltammetry data, confirm the 1e− nature of this couple and establish it to be chemically reversible and nearly electrochemically reversible as well. Bulk electrolysis of a solution of the neutral Np(VI) complex facilitated isolation of the corresponding anionic and monomeric Np(V) species. Data from X-ray diffraction analysis as well as optical and vibrational spectroscopies provide strong evidence in support of metal-centered reduction and the Np(V) oxidation state, findings that are in accord with the measured reduction potentials. Distinctive hydrogen bonding interactions between the terminal (yl) oxo groups and water molecules appear to stabilize the isolated Np(V) species in the solid state, providing insight into the features that afford the uncommon chemically reversible redox encountered in this system.

Mikeska, Emily R.↗

HERMeS Thruster Magnetic Field Topology Optimization Study: Performance, Stability, and Wear Results

NASA's Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5kW Technology Demonstration Unit-1 (TDU-1) has been the subject of extensive technology maturation in preparation for flight system development. The TDU-1 thruster implements a magnetically shielded field topology and has demonstrated the elimination of the discharge channel erosion as a life limiting mechanism. Extensive wear testing the TDU Hall thrusters has identified the thruster front pole covers as the next life limiting component. This effort aims to explore and investigate alternate magnetic field topologies to assess whether reductions in the front pole cover erosion can be attained while still maintaining very low erosion rates on the discharge channel walls. Four candidate magnetic field topologies that reduce the effectiveness of the shielding along the discharge channel walls with the intent to also reduce the erosion rates along the front pole covers were designed. Three of the four candidate magnetic field topologies (B1, B2, and B4) have been manufactured and were subjected to an extensive test campaign that includes laser induced fluorescence (LIF), performance, stability, wear, plume, and thermal characterization. In Phase I, LIF measurements along the discharge chamber centerline found that upstream retraction of the thruster's peak magnetic field does result in an upstream shift of the acceleration zone but the magnitude of the shift does not correspond one-to-one to the shift in the location of the peak radial magnetic field magnitude. Phase II test segment results found at a normalized thruster magnetic field setting of 1, the thruster performance was very similar for all configurations. Discharge current waveforms ripple data indicated that configurations Bo, B1, and B2 has similar oscillatory profiles with the B2 configuration transitioning to higher oscillatory mode at 400V instead of the 450V observed for configurations B0 and B1. Configuration B4 ripple data indicates that the thruster was operating in a very oscillatory mode above 350V. Inner front pole cover erosion rates for configuration B1 were approximately 65% relative to B0 and the erosion rates for configuration B2 were 40% relative to B0. Analysis of the performance, stability, and wear test results of configurations B0, B1, B2, and B4 indicates that configuration B2 may present an alternative option for B0 because it mostly maintained the same performance and stability as configuration B0 but with 40% of the inner front pole cover erosion rate.

Kamhawi, Hani↗

Partially Premixed Flame (PPF) Research for Fire Safety

Incipient fires typically occur after the partial premixing of fuel and oxidizer. The mixing of product species into the fuel/oxidizer mixture influences flame stabilization and fire spread. Therefore, it is important to characterize the impact of different levels of fuel/oxidizer/product mixing on flame stabilization, liftoff and extinguishment under different gravity conditions. With regard to fire protection, the agent concentration required to achieve flame suppression is an important consideration. The initial stage of an unwanted fire in a microgravity environment will depend on the level of partial premixing and the local conditions such as air currents generated by the fire itself and any forced ventilation (that influence agent and product mixing into the fire). The motivation of our investigation is to characterize these impacts in a systematic and fundamental manner.

Puri, Ishwar K.↗

Lyapunov function gradient generated robust control in the absence of the nominal stabilizing control

A relevant facet of the application of Lyapunov gradient-generated robust control to unstable linear autonomous plants is explored. It is demonstrated that if the plant, the output, and the nominal stabilizing control satisfy certain conditions, then the robust component alone stabilizes the nominal plant. An example characterized by two zero eigenvalues and two negative real value poles is presented. These results assure that the robust component will fulfill the role of nominal stabilization successfully so long as the possible magnitude of the robust component can overcome the contribution of the instability to positiveness of the Lyapunov rate.

Blackwell, C. C.↗

Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites

2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R-NH 3 ) 2 PbI 4 systems impacts halide diffusion, particularly in the out-of-plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Demonstration of photoreactor platform for on-sun unassisted photoelectrochemical hydrogen generation with tandem III–V photoelectrodes

Photoelectrochemical (PEC) water splitting is a direct solar-driven technology that converts solar energy to storable chemical energy in the form of hydrogen. In addition to semiconductor and catalyst development for improved photoelectrodes, designing reactors for testing and operation of PEC systems under inherently dynamic outdoor solar illumination is necessary to further the commercial viability of PEC technology. Herein, we present a versatile photoreactor system mounted on a solar tracker for outdoor PEC testing and demonstrate unassisted PEC water splitting under real world on-sun conditions. GaInP 2 /GaAs tandem absorber photoelectrodes with a MoS 2 catalyst were fabricated and exhibit >8% solar-to-hydrogen efficiency. On-sun efficiency and stability of the photoelectrodes were characterized on both sunny and partly cloudy days with continuous monitoring of insolation and weather conditions. Furthermore, the versatile photoreactor and outdoor PEC testing capabilities and methods presented here can accelerate the development of other solar fuel generating systems and technologies.

solar fuels↗

Terahertz EPR spectroscopy using a 36-tesla high-homogeneity series-connected hybrid magnet

Electron Paramagnetic Resonance (EPR) is a powerful technique to study materials and biological samples on an atomic scale. High-field EPR in particular enables extracting very small g-anisotropies in organic radicals and half-filled 3d and 4f metal ions such as Mn II (3d 5 ) or Gd III (4f 7 ), and resolving EPR signals from unpaired spins with very close g-values, both of which provide high-resolution details of the local atomic environment. Before the recent commissioning of the high-homogeneity Series Connected Hybrid magnet (SCH, superconducting + resistive) at the National High Magnetic Field Laboratory (NHMFL), the highest-field, high-resolution EPR spectrometer available was limited to 25 T using a purely resistive “Keck” magnet at the NHMFL. Herein, we report the first EPR experiments performed using the SCH magnet capable of reaching the field of 36 T, corresponding to an EPR frequency of 1 THz for g = 2. The magnet’s intrinsic homogeneity (25 ppm, that is 0.9 mT at 36 T over 1 cm diameter, 1 cm length cylinder) was previously established by NMR. We characterized the magnet’s temporal stability (5 ppm, which is 0.2 mT at 36 T over one-minute, the typical acquisition time) using 2,2-diphenyl-1-picrylhydrazyl (DPPH). This high resolution enables resolving the weak g-anisotropy of 1,3-bis(diphenylene)-2-phenylallyl (BDPA), Δg = 2.5 × 10 –4 obtained from measurements at 932 GHz and 33 T. Subsequently, we recorded EPR spectra at multiple frequencies for two Gd III complexes with potential applications as spin labels. In conclusion, we demonstrated a significant reduction in line broadening in Gd[DTPA], attributed to second order zero field splitting, and a resolution enhancement of g-tensor anisotropy for Gd[sTPATCN]-SL.

47 OTHER INSTRUMENTATION↗

Critical mineral substitutions in IN617: A combined computational and experimental approach to performance evaluation and feasibility

Addressing the escalating demand for critical minerals (CMs) driven by global climate change initiatives, this study explores compositional modifications to Inconel 617 (IN617) by substituting cobalt (Co) with manganese (Mn) across various atomic percentages. Here, we conducted a computational feasibility study employing Molecular Dynamics (MD) simulations to provide strategic guidance for experimental validation. The simulations analyzed tensile strength and corrosion resistance for five modified compositions (M1 to M5) to identify optimal properties. Tensile tests on cubic simulation cells were performed to generate stress-strain curves, revealing the impact of Co replacement with Mn on tensile strength—a metric correlated with hardness. Oxygen penetration simulations were conducted to evaluate corrosion resistance, indicating that reduced oxygen penetration depth corresponds to enhanced resistance. Promising compositions underwent phase diagram calculations for assessing phase stability. The optimal composition (M1), characterized by high tensile strength and minimal oxygen penetration, was chosen for experimental validation using induction melting and friction stir consolidation techniques. The materials were further characterized using SEM-EDS, XRD, and Vickers hardness testing. Our findings suggest that Mn substitution in IN617 can yield mechanical performance at par with high-Co alloys in energy-critical applications.

36 MATERIALS SCIENCE↗