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1998 Research and Technology

This report selectively summarizes the NASA Lewis Research Center's research and technology accomplishments for the fiscal year 1998. It comprises 134 short articles submitted by the staff scientists and engineers. The report is organized into five major sections: Aeronautics, Research and Technology, Space, Engineering and Technical Services, and Commercial Technology. A table of contents and an author index have been developed to assist readers in finding articles of special interest. This report is not intended to he a comprehensive summary of all the research and technology work done over the past fiscal year. Most of the work is reported in Lewis-published technical reports, journal articles, and presentations prepared by Lewis staff and contractors. In addition, university grants have enabled faculty members and graduate students to engage in sponsored research that is reported at technical meetings or in journal articles. For each article in this report, a Lewis contact person has been identified, and where possible, reference documents are listed so that additional information can be easily obtained. The diversity of topics attests to the breadth of research and technology being pursued and to the skill mix of the staff that makes it possible. At the time of publication, NASA Lewis was undergoing a name change to the NASA John H. Glenn Research Center at Lewis Field.

Donald J Campbell

Vidyut3d: A Gpu Accelerated Fluid Solver for Non-Equilibrium Plasmas on Adaptive Grids

We present the numerical methods, programming methodology, verification, and performance assessment of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures, in this work. Our plasma fluid model solves the coupled conservation equations for species transport, electrostatic Poisson and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive-grid/particle management library, AMReX, and is portable over widely available vendor specific GPU architectures. We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth-order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on capacitive discharges and atmospheric pressure streamer propagation. We demonstrate the use of our solver on two 3D simulation cases: an atmospheric streamer propagation in Ar-H2 mixtures and a low pressure twin electrode radio frequency reactor. Our performance studies on three different CPU+GPU architectures indicate approximately 150-400X speed-up using AMD and NVIDIA GPUs per time step compared to a single CPU core for a 4 million cell simulation with 15 species.

Sitaraman, Hariswaran

An Ultra-long Life, High-performance, Flexible Li-CO2Battery Based on Multifunctional Carbon Electrocatalysts

Integrating CO2 utilization and renewable energy delivery/storage, the rechargeable Li–CO2 battery has been considered as a promising candidate for next-generation secondary batteries. However, high-performance catalyst(s) for efficient formation and decomposition of the discharge product, Li2CO3, are an imperative part of a Li–CO2 battery. The development of flexible Li–CO2 batteries extends their applications into compliant and wearable devices/systems, but at the same time imposes a big challenge for battery fabrication and lifetime enhancement. In this study, a rechargeable quasi-solidus flexible Li–CO2 battery was designed and fabricated using highly active N,S-doped carbon nanotubes (N,S-doped CNTs) as the cathode catalyst, and a smart polymer gel as the flexible electrolyte. This newly-developed flexible Li–CO2 battery exhibited a capacity as high as 23560 mAh g−1 based on the catalyst mass and an ultra-long lifetime of up to 538 cycles with excellent mechanical flexibility. This work provides a platform for the design and development of high-performance flexible Li–CO2 batteries from low-cost, earth-abundant, carbon-based multifunctional cathode catalysts.

Superior stability

CFD Simulation of the Dosing Behavior within the Atomic Layer Deposition Feeding System

The effective operation of atomic layer deposition (ALD) feeding system is the premise of realizing specific ALD processes. In the present work, a detailed computational fluid dynamics (CFD) model of the feeding system has been developed and validated, which accounts for the roles of ALD valves and manifolds. A numerical simulation of the compressible fluid flow and heat/mass transfer within the feeding system was conducted. The dosing amounts and the spatiotemporal distributions of the precursors can be accurately predicted using the CFD model, as validated by experimental results. Different precursors, operating conditions, and structures of the feeding system were simulated and analyzed to examine the operating flexibility of the feeding system. The simulation results can be adopted as the upstream boundary conditions for simulations of the ALD process in the reaction chamber. The substrate-scale simulation indicates that the effect of the feeding system on the film deposition is highly related to the surface kinetics of ALD. The present work can serve as a guide for the development and optimization of different ALD-based processes via proper operation and even the design of the feeding system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Long Duration Exposure Facility experiment M0003 deintegration observation database

The four trays of the M0003 materials experiment on LDEF contained 1274 samples from 19 subexperiments. The complete sample complement represented a broad range of materials, including thin film optical coatings, paints, polymer sheets and tapes, adhesives, and composites, for use in various spacecraft applications including thermal control, structures, optics, and solar power. Since some subexperiments included duplicate samples exposed on the leading and trailing edge trays, for 9 week, 19 week, 40 week, and 68 month durations on both the leading and trailing edges, comparisons provided a valuable time history of degradation. During the deintegration of the subexperiments from the M0003 trays, each sample was examined using bright field, dark field, and Normarski light microscopy techniques. Over 3,000 color macrographs and photomicrographs were made of the condition of M0003 trays and the individual samples. Records of the condition of the samples, photographic records, and all available references of publications on postflight analyses on each sample were collected in a database. The photographs provide a visual comparison of the response of materials common to various subexperiments in different LDEF environments. Aerospace Corporation is distributing the database records and photographs and written records on materials of interest from the database is given in this presentation.

S. R. Gyetvay

Three-chamber electrochemical reactor for selective lithium extraction from brine

Efficient lithium recovery from geothermal brines is crucial for the battery industry. Current electrochemical separation methods struggle with the simultaneous presence of Na + , K + , Mg 2+ , and Ca 2+ because these cations are similar to Li + , making it challenging to separate effectively. We address these challenges with a three-chamber reactor featuring a polymer porous solid electrolyte in the middle layer. This design improves the transference number of Li + (t Li+ ) by 2.1 times compared to the two-chamber reactor and also reduces the chlorine evolution reaction, a common side reaction in electrochemical lithium extraction, to only 6.4% in Faradaic Efficiency. Employing a lithium-ion conductive glass ceramic (LICGC) membrane, the reactor achieved high t Li+ of 97.5% in LiOH production from simulated brine, while the concentrations of Na + K + , Mg 2+ , and Ca 2+ are below the detection limit. Electrochemical experiments and surface analysis elucidated the cation transport mechanism, highlighting the impact of Na + on Li + migration at the LICGC interface.

Science & Technology - Other Topics

A butterfly-shaped acceptor with rigid skeleton and unique assembly enables both efficient organic photovoltaics and high-speed organic photodetectors

ABSTRACT It remains challenging to design efficient bifunctional semiconductor materials in organic photovoltaic and photodetector devices. Here, we report a butterfly-shaped molecule, named WD-6, which exhibits low energy disorder and small reorganization energy due to its enhanced molecular rigidity and unique assembly with strong intermolecular interaction. The binary photovoltaic device based on PM6:WD-6 achieved an efficiency of 18.41%. Notably, an efficiency of 19.42% was achieved for the ternary device based on PM6:BTP-eC9:WD-6. Moreover, the photodetection device based on WD-6 demonstrated an ultrafast response speed (205 ns response time at λ of 820 nm) and a high cutoff frequency of −3 dB (2.45 MHz), surpassing the values of most commercial Si photodiodes. Based on these findings, we showcased an application of the WD-6-based photodetection device in high-speed optical communication. These results offer valuable insights into the design of organic semiconductor materials capable of simultaneously exhibiting high photovoltaic and photodetective performance.

Science & Technology - Other Topics

Performance Assessment of LunaNet’s Augmented Forward Signal

LunaNet provides a common set of interoperable specifications for communication and position, navigation and time (PNT) services and interfaces soon to be implemented in lunar vicinity. The LunaNet Interoperability Specification (LNIS) provides the design for the GNSS-like Augmented Forward Signal (AFS), which enables orbiting and surface users in lunar space, such as Artemis, to estimate their position, velocity, and time. The specification of AFS defines two orthogonal signal components on a single carrier: the in-phase component (AFS-I), a lower-chip-rate data channel tailored for applications where low SWaP (Size, Weight, and Power) is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q), a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in LNIS 2023, with initial analysis results shown in Dafesh 2024 and Dafesh 2025, and the current signal in space description provided in LNIS 2025. As part of NASA's Lunar Communication Relay and Navigation Systems (LCRNS) project, this work expands upon the initial analysis results and proposes a new expanded set of AFS-Q spreading codes that exceed the cross-correlation and autocorrelation sidelobe performance of L1C and other GNSS signals, while providing additional expansion capabilities for future service satellites. A set of 420 codes was selected from a Weil-based code derived from the prime number 10247, which is larger than the 10243 prime number used to derive BeiDou’s B1C Weil sequences. Both the initial set of 210 codes and the expanded set of 420 codes are shown to provide the best cross-correlation of any 10230-chip satellite navigation codes. The performance is demonstrated for hierarchical sets of spreading codes optimized and organized in sets of 30 codes. The work also compares LunaNet’s AFS to terrestrial GNSS signals in terms of acquisition, tracking, and data demodulation performance. Performance is evaluated for receivers that only track the 1.023 MCPS data channel spreading code for low SWaP IoT use cases, as well as for receivers that track both the 1.023 MCPS data channel and the 5.115 MCPS pilot channel spreading code for high-performance use cases. Performance is assessed in the presence of interference and thermal noise. The analysis is performed in terms of expected operating conditions on the lunar surface. Several unique flexibility aspects of the augmented forward signal are described, including the use of the Q channel’s secondary and tertiary codes to enable variable coherent integrations during acquisition. This is compared to GNSS signals such as L5/E5 and MBOC in terms of achievable processing gain for interference mitigation versus acquisition complexity. The work details acquisition and tracking techniques used to optimally acquire and track the primary, secondary, and tertiary codes on the Q channel, as well as acquisition of the I channel spreading code. Acquisition of the 8 ms, Q channel spreading code is also compared to joint acquisition of the I and Q channel primary codes in noise and interference environments

LCRNS

Tidal Tomography Reveals a Thermal Anomaly Beneath Mars’s Crustal Dichotomy

Mars undergoes seasonal tidal forcing as a result of its eccentric orbit and the tilt of its rotation axis relative to the Sun1. Response to this forcing produces temporal variations in the Martian gravity field and is sensitive to the internal structure of the planet2,3,4. Using tracking data from the Mars Global Surveyor (MGS), Mars Odyssey (ODY) and Mars Reconnaissance Orbiter (MRO) spacecraft5,6,7, we demonstrate that degree-3 components of the time-variable gravity field of Mars differ by up to 300% from predictions for a spherically symmetric planet8,9,10. These deviations can be explained if the effective shear modulus of the mantle varies by >20% over a roughly north–south pattern that closely aligns with the surface expression of the Martian crustal dichotomy11. On the basis of this correlation, we infer preservation of a 200–400 °C thermal anomaly in the present-day mantle below the southern highlands of Mars. This temperature variation could reflect regional mantle convection12,13 or insulation by the thick southern highlands crust of Mars that has persisted over several billion years14,15.

Mars

Spin‐Polarized Interfaces Redirect CO 2 Reduction From CO to Formate

Achieving high product selectivity in electrocatalytic carbon dioxide reduction (CO 2 RR) remains a critical challenge due to competition between multiple proton-coupled electron-transfer pathways on catalyst surfaces. Meanwhile, chirality-induced spin selectivity (CISS), which enables spin-polarized electron transport through chiral interfaces, has recently emerged as a promising strategy to modulate interfacial electrochemical reactions. Although the CISS effect has been shown to enhance selectivity and efficiency in the spin-sensitive oxygen evolution reaction (OER), its role in regulating CO 2 RR pathways and in stabilizing intermediates remains largely unexplored. Here, chiral molecules (R- and S-1,1′-bi-2-naphthyl-2,2′-diyl hydrogen phosphate, BNP) were integrated with SnO 2 to construct chiral-modified catalysts (R-BNP/SnO 2 and S-BNP/SnO 2 ). Compared with bare SnO 2 and racemic BNP-modified SnO 2 (Rac-BNP/SnO 2 ), the chiral catalysts exhibited a pronounced shift in product selectivity from CO toward formate production. Importantly, in-situ attenuated total reflectance surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS) reveals that the chiral interface selectively stabilizes the O-bound *OCHO intermediate associated with the formate pathway and modulates interfacial water structure and hydrogen-bonding dynamics. These findings demonstrate that spin-polarized interfacial electron transfer can regulate CO 2 RR pathway selectivity by modulating the stabilization of key intermediates. More broadly, this work establishes chiral spin-selective interfaces as a new strategy for regulating competitive electrocatalytic reaction pathways.

14 SOLAR ENERGY

Enhanced Hydrogen Evolution Catalysis of Pentlandite due to the Increases in Coordination Number and Sulfur Vacancy during Cubic‐Hexagonal Phase Transition

Abstract The search for new phases is an important direction in materials science. The phase transition of sulfides results in significant changes in catalytic performance, such as MoS 2 and WS 2 . Cubic pentlandite [cPn, (Fe, Ni) 9 S 8 ] can be a functional material in batteries, solar cells, and catalytic fields. However, no report about the material properties of other phases of pentlandite exists. In this study, the unit‐cell parameters of a new phase of pentlandite, sulfur‐vacancy enriched hexagonal pentlandite (hPn), and the phase boundary between cPn and hPn are determined for the first time. Compared to cPn, the hPn shows a high coordination number, more sulfur vacancies, and high conductivity, which result in significantly higher hydrogen evolution performance of hPn than that of cPn and make the non‐nano rock catalyst hPn superior to other most known nanosulfide catalysts. The increase of sulfur vacancies during phase transition provides a new approach to designing functional materials.

Chemistry

A Reflection on the Evolution of Sodium/Metal Chloride (ZEBRA) Batteries and Lithium-Ion Cathode Materials (1975–2025): A Tribute to Johan Coetzer

This narrative summarizes, in retrospect, the enormous and quietly-conducted contribution of Dr Johan Coetzer, a South African scientist and entrepreneur, to the discovery, development and implementation of the high temperature sodium—metal chloride “ZEBRA” battery (Na/β-Al 2 O 3 , NaAlCl 4 /MCl 2 (M = Ni, Fe)). Here, this research activity was initiated in the mid 1970’s at the Council for Scientific and Industrial Research (CSIR) in South Africa and subsequently developed primarily in partnership with the Atomic Energy Research Establishment (AERE, Harwell, UK), Beta R&D (Derby, UK) and Daimler Benz (Germany), before being transferred to industry worldwide for electric vehicle and energy storage applications, albeit at a relatively low production rate. Coetzer’s wide-ranging, innovative and, at times, unconventional scientific approach also laid the foundation for the discovery and implementation of manganese-based spinel and layered metal oxide cathode materials for the Li-ion battery industry.

ZEBRA Battery

Structure–Property Linkage in Alloys Using Graph Neural Network and Explainable Artificial Intelligence

Deep learning tools have recently shown significant potential for accelerating the prediction of microstructure–property linkage in materials. While deep neural networks like convolution neural networks (CNNs) can extract physics information from 3D microstructure images, they often require a large network architecture and substantial training time. In this research, we trained a graph neural network (GNN) using phase field generated microstructures of Ni-Al alloys to predict the evolution of mechanical properties. We found that a single GNN is capable of accurately predicting the strengthening of Ni-Al alloys with microstructures of varying sizes and dimensions, which cannot otherwise be done with a CNN. Additionally, GNN requires significantly less GPU utilization than CNN and offers more interpretable explanation of predictions using saliency analysis as features are manually defined in the graph. We also utilize explainable artificial intelligence tool Bayesian Inference to determine the coefficients in the power law equation that governs coarsening of precipitates. Overall, our work demonstrates the ability of the GNN to accurately and efficiently extract relevant information from material microstructures without having restrictions on microstructure size or dimension and offers an interpretable explanation.

Chemistry

Patchy nanoparticles by atomic stencilling

Stencilling, in which patterns are created by painting over masks, has ubiquitous applications in art, architecture and manufacturing. Modern, top-down microfabrication methods have succeeded in reducing mask sizes to under 10 nm, enabling ever smaller microdevices as today’s fastest computer chips. Meanwhile, bottom-up masking using chemical bonds or physical interactions has remained largely unexplored, despite its advantages of low cost, solution-processability, scalability and high compatibility with complex, curved and three-dimensional (3D) surfaces. Here we report atomic stencilling to make patchy nanoparticles (NPs), using surface-adsorbed iodide submonolayers to create the mask and ligand-mediated grafted polymers onto unmasked regions as ‘paint’. We use this approach to synthesize more than 20 different types of NP coated with polymer patches in high yield. Polymer scaling theory and molecular dynamics (MD) simulation show that stencilling, along with the interplay of enthalpic and entropic effects of polymers, generates patchy particle morphologies not reported previously. These polymer-patched NPs self-assemble into extended crystals owing to highly uniform patches, including different non-closely packed superlattices. We propose that atomic stencilling opens new avenues in patterning NPs and other substrates at the nanometre length scale, leading to precise control of their chemistry, reactivity and interactions for a wide range of applications, such as targeted delivery, catalysis, microelectronics, integrated metamaterials and tissue engineering.

36 MATERIALS SCIENCE

The Study of Dopant Segregation Behavior During the Growth of GaAs in Microgravity

An investigation into the segregation behavior of selenium doped gallium arsenide during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the first United States Microgravity Laboratory (USML-1). The two crystals grown were 1.5 cm in diameter and 16.5 cm in length with an initial melt length of 14 cm. Two translation periods were executed, the first at 2.5 microns/s and after a specified time, which was different between the two experiments, the translation rate was doubled to 5.0 microns/s. The translation was then stopped and the remaining sample melt was solidified using a gradient freeze technique in the first sample and a rapid solidification in the second experiment. Measurement of the selenium dopant distribution, using quantitative infrared transmission imaging, indicates that the first sample initially achieved diffusion controlled growth as desired. However, after about 1 cm of growth, the segregation behavior was driven from a diffusion controlled growth regime to a complete mixing regime. Measurements in the second flight sample indicated that the growth was always in a complete mixing regime. In both experiments, voids in the center line of the crystal, indicative of bubble entrapment, were found to correlate with the position in the crystal when the translation rates were doubled.

D H Matthiesen

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x (x=0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Chemistry

Performance Assessment of LunaNet’s Augmented Forward Signal

LunaNet provides a common set of interoperable specifications for communication and position, navigation and time (PNT) services and interfaces soon to be implemented in lunar vicinity. The LunaNet Interoperability Specification (LNIS) provides the design for the GNSS-like Augmented Forward Signal (AFS), which enables orbiting and surface users in lunar space, such as Artemis, to estimate their position, velocity, and time. The specification of AFS defines two orthogonal signal components on a single carrier: the in-phase component (AFS-I), a lower-chip-rate data channel tailored for applications where low SWaP (Size, Weight, and Power) is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q), a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in [1], with initial analysis results shown in [2] and [3] and the current signal in space description provided in [4]. As part of NASA's Lunar Communication Relay and Navigation Systems (LCRNS) project, this work expands upon the initial analysis results and proposes a new expanded set of AFS-Q spreading codes that exceed the cross-correlation and autocorrelation sidelobe performance of L1C and other GNSS signals, while providing additional expansion capabilities for future provider satellites. A set of 420 codes was selected from a Weil-based code derived from the prime number 10247, which is larger than the 10243 prime number used to derive Beidou’s B1C Weil sequences. Both the initial set of 210 codes and the expanded set of 420 codes are shown to provide the best cross-correlation of any 10230-chip satellite navigation codes. The performance is demonstrated for hierarchical sets of spreading codes optimized and organized in sets of 30 codes. The new codes were developed using an optimization approach and correlation methodology described in [5]. The work also compares LunaNet’s AFS to terrestrial GNSS signals in terms of acquisition, tracking, and data demodulation performance. Performance is evaluated for receivers that only track the 1.023 MCPS data channel spreading code for low SWaP IoT use cases, as well as for receivers that track both the 1.023 MCPS data channel and the 5.115 MCPS pilot channel spreading code for high-performance use cases. Performance is assessed in the presence of interference and thermal noise. The analysis is performed in terms of expected operating conditions on the lunar surface. Several unique flexibility aspects of the augmented forward signal are described, including the use of the Q channel’s secondary and tertiary codes to enable variable coherent integrations during acquisition. This is compared to GNSS signals such as L5/E5 and MBOC in terms of achievable processing gain for interference mitigation versus acquisition complexity. The work details acquisition and tracking techniques used to optimally acquire and track the primary, secondary, and tertiary codes on the Q channel, as well as acquisition of the I channel spreading code. Acquisition of the 8 ms Q channel spreading code is also compared to joint acquisition of the I and Q channel primary codes in noise and interference environments.

LCRNS

Effect of directed energy deposition process parameter on build quality of tantalum

Tantalum is a refractory metal used in a variety of harsh environment applications. Additive manufacturing of tantalum is limited based on its high melting point and affinity for oxygen. Directed Energy Deposition is an additive manufacturing technique with rapid deposition time and compositional flexibility within builds. Additively manufactured tantalum is susceptible to a variety of material and process-based defects. Various lack-of-fusion defects were identified resulting from excessive powder feed rates or insufficient laser power. Oxygen impurities in some samples caused cracking and increased material hardness. Precipitates were identified in the highly oxidized samples which were printed immediately after the build chamber was opened. High-density, low-defect parts were successfully produced. The effects of scan speed, laser power, and powder feed rate on density and defects were analyzed. A processing window was identified for producing high-quality parts which requires adequately high laser power and lower powder feed rate.

DED