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NASA NTRS1990

High-temperature superconductor antenna investigations

The use of superconductors to increase antenna radiation efficiency and gain is examined. Although the gain of all normal-metal antennas can be increased through the use of superconductors, some structures have greater potential for practical improvement than others. Some structures suffer a great degradation in bandwidth when replaced with superconductors, while for others the improvement in efficiency is trivial due to the minimal contribution of the conductor loss mechanism to the total losses, or the already high efficiency of the structure. The following antennas and related structures are discussed: electrically small antennas, impedance matching of antennas, microstrip antennas, microwave and millimeter-wave antenna arrays, and superdirective arrays. The greatest potential practical improvements occur for large microwave and millimeter-wave arrays and the impedance matching of antennas.

Karasack, Vincent G.↗

DOE OSTI2025

Protein-ligand binding affinity prediction using multi-instance learning with docking structures

Recent advances in 3D structure-based deep learning approaches demonstrate improved accuracy in predicting protein-ligand binding affinity in drug discovery. These methods complement physics-based computational modeling such as molecular docking for virtual high-throughput screening. Despite recent advances and improved predictive performance, most methods in this category primarily rely on utilizing co-crystal complex structures and experimentally measured binding affinities as both input and output data for model training. Nevertheless, co-crystal complex structures are not readily available and the inaccurate predicted structures from molecular docking can degrade the accuracy of the machine learning methods. We introduce a novel structure-based inference method utilizing multiple molecular docking poses for each complex entity. Our proposed method employs multi-instance learning with an attention network to predict binding affinity from a collection of docking poses. We validate our method using multiple datasets, including PDBbind and compounds targeting the main protease of SARS-CoV-2. The results demonstrate that our method leveraging docking poses is competitive with other state-of-the-art inference models that depend on co-crystal structures. This method offers binding affinity prediction without requiring co-crystal structures, thereby increasing its applicability to protein targets lacking such data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Initial Fracture Propagation Modeling of Graphite Components with Grizzly

Graphite has historically been extensively used in power reactor cores and will be used in multiple types of advanced reactors currently under development. These graphite structural components can experience significant stresses due to nonuniform volumetric strains induced by irradiation and thermal expansion, which can lead to fracture. Robust tools for predicting fracture initiation and propagation in graphite structural components in nuclear reactors are important for evaluating component integrity, developing design standards, and interpreting experimental results to characterize graphite performance. The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program has been developing degradation models for other structural components in nuclear reactors within the Grizzly and BlackBear codes. This report documents an effort to develop initial capabilities for modeling graphite fracture within these codes, building on prior efforts to model fracture in other materials. Major elements of this effort include developing a new system for modeling fracture nucleation and growth in two dimensions using the extended finite element method and incorporating a damage and plasticity model. These capabilities are applied here to model a representative graphite component and a splitting disc experiment used to obtain tensile strength.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Microcrystalline silicon growth for heterojunction solar cells

A single source of evaporation with B mixed with highly doped Si is used instead of the coevaporation of separate Si and B sources to reduce possible carbon contamination. The results of both the heterojunction or heteroface structures, however, are similar when evaporation is used. The best Voc of the heterojunction is about 460mV and no improvement in Voc in the heteroface structure is observed. Slight Voc degradation occurred. A study of the p m-Si/p c-Si structure showed a negative Voc in many cases. The interface properties between the two materials are such that instead of repelling minority carriers from the substrate carrier, collection actually occurred. Another study of cells made in the part of substrates not covered by n-Si results in performance lower than the controls. This indicates possible substrate degradation in the process.

Iles, P. A.↗

NASA NTRS2019

Internal Electrostatic Discharge Testing of Inert Solid Rocket Motor Materials

Jupiter’s moon Europa is believed to have a global liquid-water ocean beneath its icy surface. As such, it is a highly interesting destination for explorers seeking signs of life outside of Earth. This interest has given rise to the Europa Lander Mission [Hand, et al., 2017]. The central goal of the Europa Lander Mission is to place a stationary lander on Europa and make surface and sub-surface measurements, dramatically improving understanding of this Jovian moon, and potentially detecting signs of life.Placing a lander on Europa will require multiple spacecraft elements deployed across a multi-year mission timeline. Some of the key elements include: a large payload capacity rocket, such as the Space Launch System (SLS), capable of providing direct Jupiter orbit insertion; a solar-powered carrier; a de-orbit system; a sky crane landing system; and, of course, the surface lander. A noteworthy fact is that the current design requires a large solid rocket motor to provide the necessary braking thrust for the de-orbit stage. While solid rocket motors have been used extensively by NASA during launch, in-space use has been limited. In addition to the normal challenges associated with a long-distance planetary mission, the Europa Lander Mission must also contend with the high-radiation environment associated with the Jovian system. The size of Jupiter, combined with its magnetic field strength, and rotation speed, result in a harsh radiation environment composed of high energy charged particles (ions and electrons) as well as high-temperature plasmas [de Soria-Santacruz Pich, 2016]. Due to this high-radiation environment, each component of the Europa Lander spacecraft must be evaluated to determine its radiation dose tolerance and its likelihood for experiencing electrostatic charging (and discharging). In general, metal components in a Jovian environment do not pose a concern for radiation degradation; in fact, metal structures and closeouts can act as radiation shielding for the more sensitive components. Charging of a metal component is only an issue if the component is not properly grounded to the spacecraft chassis. However, electrically insulating materials, such as polymers, are subject to radiation degradation as well as surface and internal charging, and therefore require extra scrutiny. The focus of this paper will be on the insulating materials that are commonly used inside solid rocket motors. The special application of a solid rocket motor used in space after a relatively long duration flight, combined with the high energy electron environment in the Jovian system, raises concerns about the possibility of significant charging and discharging leading to reduced performance.

Schneider, Todd A.↗

DOE OSTI2026

Redox‐Mediated Electrochemical Regeneration of Spent LiFePO 4 Battery Cathodes

Direct recycling of lithium-ion battery cathodes offers considerable appeal over metallurgical approaches. Here, we demonstrate a mediated electrochemical method for direct regeneration of degraded LiFePO 4 (LFP). The approach uses a redox mediator, iron propylenediamine tetraacetate, that undergoes electrochemical reduction and is circulated through an external reservoir, where it supplies the electrons needed to regenerate LFP in the presence of Li + ions derived from LiOH oxidation. Rapid outer-sphere electron transfer is observed from the mediator to the degraded LFP material. This feature, together with good aqueous solubility of the mediator (0.3 M), supports current densities up to 100 mA/cm 2 , and this electrochemical recycling process is demonstrated on 100 g scale. 57 Fe Mössbauer spectroscopy is used to monitor the correction of structural defects in the degraded LFP, providing the basis for regeneration of LFP that matches the electrochemical performance of pristine LFP.

Electrochemical Relithiation↗

NASA NTRS1975

Aerothermal performance and structural integrity of a Rene 41 thermal protection system at Mach 6.6

A flightweight panel based on a metallic thermal-protection-system concept for hypersonic and reentry vehicles was subjected repeatedly to thermal cycling by quartz-lamp radiant heating using a thermal history representative of a reentry heat pulse and to aerodynamic heating at heating rates required to sustain a surface temperature of 1089 K (1960 R). The panel consisted of a corrugated heat shield and support members of 0.05-cm (0.02-in.) thick Rene 41 of riveted construction and 5.08-cm (2-in.) thick silica fibrous insulation packages covered by Rene 41 foil and inconel screening. All tests were conducted in the Langley 8-foot high-temperature structures tunnel with the heat shield corrugations alined in the stream direction. The panel sustained 5.33 hr of intermittent radiant heating and 6.5 min of intermittent aerodynamic heating of up to 1-min duration for differential pressures up to 6.2 kPa (0.9 psi) with no apparent degradation of thermal or structural integrity, as indicated by temperature distributions and results from load deflection tests and vibration surveys of natural frequencies.

Deveikis, W. D.↗

DOE OSTI2020

Surface regulation enables high stability of single-crystal lithium-ion cathodes at high voltage

Abstract Single-crystal cathode materials for lithium-ion batteries have attracted increasing interest in providing greater capacity retention than their polycrystalline counterparts. However, after being cycled at high voltages, these single-crystal materials exhibit severe structural instability and capacity fade. Understanding how the surface structural changes determine the performance degradation over cycling is crucial, but remains elusive. Here, we investigate the correlation of the surface structure, internal strain, and capacity deterioration by using operando X-ray spectroscopy imaging and nano-tomography. We directly observe a close correlation between surface chemistry and phase distribution from homogeneity to heterogeneity, which induces heterogeneous internal strain within the particle and the resulting structural/performance degradation during cycling. We also discover that surface chemistry can significantly enhance the cyclic performance. Our modified process effectively regulates the performance fade issue of single-crystal cathode and provides new insights for improved design of high-capacity battery materials.

25 ENERGY STORAGE↗

DOE OSTI2024

Sorption and Oxidative Degradation of Small Organic Molecules on Mn-Oxides-Effects of pH and Mineral Structures

Manganese (Mn)-oxides regulate carbon (C) cycling in soils by sorbing and oxidizing organic compounds. The composition of soil organic matter varies widely, and little is known about the reactivity of individual organic compounds with structurally diverse Mn-oxides under various environmentally relevant pH conditions. Here, in this study, we examined the affinity of six organic compounds for three Mn-oxides, comprised of layer (birnessite and hydrous Mn oxide HMO) or tunnel (cryptomelane) structures, at acidic (pH 4), slightly acidic (pH 6), and slightly alkaline (pH 8) conditions. Cryptomelane, with a higher specific surface area and point of zero charge, showed higher reactivity than that of HMO and birnessite. Interestingly, these Mn-oxides, although different in structures, decomposed each organic compound to form the same products. Citrate, pyruvate, ascorbate, and catechol induced reduction and dissolution of Mn-oxides. After the reaction, the average oxidation state of Mn in the solids was much lower at pH 4 than at pH 6 and 8, suggesting more reduction under more acidic conditions. Even when reacting with phthalate and propanol, which only sorbed to Mn-oxides but did not degrade, there was proton-promoted Mn dissolution under acidic conditions. These results suggest the significance of environmental pH and mineral structures in affecting the Mn–organic interactions and provide fundamental insights into a better understanding of the roles of Mn-oxides in regulating soil C cycling.

58 GEOSCIENCES↗

DOE OSTI2020

Flowthrough Pretreatment of Softwood under Water-only and Alkali Conditions

Flowthrough pretreatment provides valuable insight in the fundamentals of deconstruction of plant biomass. In this study, the potential softwood degradation pathways under water-only and alkali conditions were determined by elucidating the deconstructed biomass-derived products at 0-270 °C for 2-10 min at a flow rate of 25 mL/min with water-only or alkaline at initial pH of 8, 9, 11, and 12, respectively. Results indicated that the initial pH value was a convenient indicator along with the severity parameter to control biomass degradation through the non-oxidative (pH<9) and oxidative (pH=9) pathways. Up to 100 % of hemi-sugars, 90 % of cellulose, and 70 % of lignin were derived from softwood under non-oxidative conditions at severity parameter LogR0 around 5.5, respectively. On the contrary, at pH 12, the oxidative degradation resulted in pretreated hydrolysate rich in monomeric and oligomeric phenolic products as well as glycolic acid, acetic acid, and formic acid from carbohydrates. The two dimensional 1H-13C heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) analysis revealed that non-oxidative degradation at initial pH values lower than 9 mainly cleaved ß-O-4, all of the ß-ß, and ß-5/a-O-4 linkages, whereas substantial aromatic ring structures with limited ß-O-4 structures remaining at pH 12 through oxidative degradation.

Zhang, Libing↗

DOE OSTI2020

Direct observation of defect-aided structural evolution in Ni-rich layered cathode

Ni-rich LiNi 1-x-y Mn x Co y O 2 (NMC) layered compounds have become the dominated cathode for lithium ion batteries. The role of crystallographic defects on their structure evolution and consequent performance degradation during electrochemical cycling is not yet fully understood. In this work, we investigated the structural evolution of Ni-rich NMC cathode in a solid-state cell via in-situ transmission electron microscopy. We identified antiphase boundary (APB) and twin boundary (TB) separating layered phases played an important role on phase change. Upon the lithium depletion, the APB extends across the layered structure, while Li/transition metal (TM) ion mixing in the layered phases is detected to induce the rock-salt phase formation along the coherent TB. According to DFT calculations, Li/TM mixing and phase transition are aided by the low diffusion barriers of TM ions at planar defects. Finally, this work reveals the dynamical scenario of secondary phase evolution, which helps to unveil the origin of performance fading in Ni-rich NMC.

25 ENERGY STORAGE↗

NASA NTRS1999

Development of GENOA Progressive Failure Parallel Processing Software Systems

A capability consisting of software development and experimental techniques has been developed and is described. The capability is integrated into GENOA-PFA to model polymer matrix composite (PMC) structures. The capability considers the physics and mechanics of composite materials and structure by integration of a hierarchical multilevel macro-scale (lamina, laminate, and structure) and micro scale (fiber, matrix, and interface) simulation analyses. The modeling involves (1) ply layering methodology utilizing FEM elements with through-the-thickness representation, (2) simulation of effects of material defects and conditions (e.g., voids, fiber waviness, and residual stress) on global static and cyclic fatigue strengths, (3) including material nonlinearities (by updating properties periodically) and geometrical nonlinearities (by Lagrangian updating), (4) simulating crack initiation. and growth to failure under static, cyclic, creep, and impact loads. (5) progressive fracture analysis to determine durability and damage tolerance. (6) identifying the percent contribution of various possible composite failure modes involved in critical damage events. and (7) determining sensitivities of failure modes to design parameters (e.g., fiber volume fraction, ply thickness, fiber orientation. and adhesive-bond thickness). GENOA-PFA progressive failure analysis is now ready for use to investigate the effects on structural responses to PMC material degradation from damage induced by static, cyclic (fatigue). creep, and impact loading in 2D/3D PMC structures subjected to hygrothermal environments. Its use will significantly facilitate targeting design parameter changes that will be most effective in reducing the probability of a given failure mode occurring.

Abdi, Frank↗

NASA NTRS1992

Application of fiber-reinforced bismaleimide materials to aircraft nacelle structures

Existing aircraft engine nacelle structures employ advanced composite materials to reduce weight and thereby increase overall performance. Use of advanced composite materials on existing aircraft nacelle structures includes fiber-reinforced epoxy structures and has typically been limited to regions furthest away from the hot engine core. Portions of the nacelle structure that are closer to the engine require materials with a higher temperature capability. In these portions, existing nacelle structures employ aluminum sandwich construction and skin/stringer construction. The aluminum structure is composed of many detail parts and assemblies and is usually protected by some form of ablative, insulator, or metallic thermal shield. A one-piece composite inner cowl for a new-generation engine nacelle structure has been designed using fiber-reinforced bismaleimide (BMI) materials and honeycomb core in a sandwich construction. The new composite design has many advantages over the existing aluminum structure. Multiple details were integrated into the one-piece composite design, thereby significantly reducing the number of detail parts and fasteners. The use of lightweight materials and the reduction of the number of joints result in a significant weight reduction over the aluminum design; manufacturing labor and the overall number of tools required have also been reduced. Several significant technical issues were addressed in the development of a BMI composite design. Technical evaluation of the available BMI systems led to the selection of a toughened BMI material which was resistant to microcracking under thermal cyclic loading and enhanced the damage tolerance of the structure. Technical evaluation of the degradation of BMI materials in contact with aluminum and other metals validated methods for isolation of the various materials. Graphite-reinforced BMI in contact with aluminum and some steels was found to degrade in salt spray testing. Isolation techniques such as those used for graphite-reinforced epoxy structures were shown to provide adequate protection. The springback and producibility of large BMI structures were evaluated by manufacturing prototype hardware which had the full-scale cross section of the one-piece composite structure.

Peros, Vasilios↗

NASA NTRS2017

An Overview of Materials Structures for Extreme Environments Efforts for 2015 SBIR Phases I and II

Technological innovation is the overall focus of NASA's Small Business Innovation Research (SBIR) program. The program invests in the development of innovative concepts and technologies to help NASA's mission directorates address critical research and development needs for Agency projects. This report highlights innovative SBIR 2015 Phase I and II projects that specifically address areas in Materials and Structures for Extreme Environments, one of six core competencies at NASA Glenn Research Center. Each article describes an innovation, defines its technical objective, and highlights NASA applications as well as commercial and industrial applications. Ten technologies are featured: metamaterials-inspired aerospace structures, metallic joining to advanced ceramic composites, multifunctional polyolefin matrix composite structures, integrated reacting fluid dynamics and predictive materials degradation models for propulsion system conditions, lightweight inflatable structural airlock (LISA), copolymer materials for fused deposition modeling 3-D printing of nonstandard plastics, Type II strained layer superlattice materials development for space-based focal plane array applications, hydrogenous polymer-regolith composites for radiation-shielding materials, a ceramic matrix composite environmental barrier coating durability model, and advanced composite truss printing for large solar array structures. This report serves as an opportunity for NASA engineers, researchers, program managers, and other personnel to learn about innovations in this technology area as well as possibilities for collaboration with innovative small businesses that could benefit NASA programs and projects.

integrated reacting fluid dynamics and predictive ↗

DOE OSTI2025

Exceptional radiation resistance of hardened amorphous SiC under high-temperature hydrogen ion implantation

This study provides a compelling comparison of the structural and mechanical responses of single-crystal silicon carbide (sc-SiC), nanocrystalline silicon carbide (nc-SiC), and amorphous silicon carbide (am-SiC) to hydrogen ion implantation at 650 °C across three distinct fluences: low, medium, and high (LF, MF, HF). While both sc-SiC and nc-SiC exhibit blistering, microcracking, and exfoliation, am-SiC remains free of blisters, demonstrating superior resilience. Notably, nc-SiC, with its high density of stacking faults (SFs), requires a higher fluence to initiate blistering compared to sc-SiC. At high fluences, hydrogen accumulation at grain boundaries (GBs) in nc-SiC elevates internal gas pressure, intensifying exfoliation. In sc-SiC, blistering leads to increased hardness, whereas in nc-SiC, the degradation of the SF structure results in a reduction in hardness. In contrast, am-SiC undergoes structural relaxation during irradiation, resulting in a significant increase in hardness while maintaining its structural integrity, with only the formation of nano-sized spherical bubbles observed. Furthermore, these findings highlight the exceptional suitability of am-SiC for nuclear applications, where resistance to radiation-induced microcracking is critical.

36 MATERIALS SCIENCE↗

NASA NTRS2008

Wear and Tear - Mechanical

The focus of this chapter is on the long term wear and tear, or aging, of the mechanical subsystem of a spacecraft. The mechanical subsystem is herein considered to be the primary support structure (as in a skeleton or exoskeleton) upon which all other spacecraft systems rest, and the associated mechanisms. Mechanisms are devices which have some component that moves at least once, in response to some type of passive or active control system. For the structure, aging may proceed as a gradual degradation of mechanical properties and/or function, possibly leading to complete structural failure over an extended period of time. However, over the 50 years of the Space Age such failures appear to be unusual. In contrast, failures for mechanisms are much more frequent and may have a very serious effect on mission performance. Just as on Earth, all moving devices are subject to normal (and possibly accelerated) degradation from mechanical wear due to loss or breakdown of lubricant, misalignment, temperature cycling effects, improper design/selection of materials, fatigue, and a variety of other effects. In space, such environmental factors as severe temperature swings (possibly 100's of degrees C while going in and out of direct solar exposure), hard vacuum, micrometeoroids, wear from operation in a dusty or contaminated environment, and materials degradation from radiation can be much worse. In addition, there are some ground handling issues such as humidity, long term storage, and ground transport which may be of concern. This chapter addresses the elements of the mechanical subsystem subject to wear, and identifies possible causes. The potential impact of such degradation is addressed, albeit with the recognition that the impact of such wear often depends on when it occurs and on what specific components. Most structural elements of the mechanical system typically are conservatively designed (often to a safety factor of greater than approximately 1.25 on yield for unmanned spacecraft) but do not have backup structure due to the added mass this would impose, and also due to the fact that structural elements can be accurately modeled mathematically and in test. Critical mechanisms or devices may have backups, or alternate work-arounds, since characterization of these systems in a 1g environment is less accurate than structure, and repair in-space is often impossible.

Swanson, Theodore↗

NASA NTRS1993

Nondestructive characterization of the elastic constants of fiber reinforced composites

Composite structural components may be subjected to a variety of defects resulting in a sharp reduction in their load carrying capacity or even catastrophic failure. Thus, it is extremely important to have the means to monitor the degradation suffered by critical components of a structure for safe operation during its service life. A nondestructive method based on ultrasonics has recently been developed for the quantitative evaluation of composite structural components during service. The experimental part of the technique uses a two-transducer, pitch-catch type arrangement to generate a variety of elastic waves within the specimen immersed in water. The recorded reflection data are then analyzed by means of a theoretical model to back out the relevant properties. In this paper the method is applied to determine the stiffness constants of unidirectional graphite/epoxy materials. The measurements are shown to be efficient and sufficiently accurate so that it can be used for early detection of material degradation in composite structural elements during service.

Mal, Ajit K.↗

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)↗