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NASA NTRS2019

Physics-Based Modeling and Simulation of Emerging Battery Technologies for Aerospace

Recently there is a growing interest in the aviation sector to reduce air and noise pollution. Electrochemical energy storage devices such as batteries coupled with a distributed electric propulsion system can reduce noise concerns as well as emissions and allow the concept of Urban Air Mobility to come to fruition. The battery performance needs to improve considerably compared from current state-of-art Li-ion battery (about 200Wh/Kg) to realize all-electric passenger jet for short flights (up to 690 miles). NASA is exploring lithium-oxygen battery chemistry to power hybrid (battery powered electrical system) and all-electric aircraft for short distance and long-distance flights. Li-O2 is one of the advanced Li-ion technologies that promise to provide specific energy of more than 750Wh/Kg. For this presentation, we present our work on improving power density of Li-O2 batteries through the use of multiphysics simulations. Next, a path is outlined to port these model to simulate performance for a new battery chemistry for space application, Li-CO2. Li-CO2 uses carbon dioxide as the active material instead of oxygen. Although this technology is in its early development, the offers two benefits: it can be used as a CO2 scrubber, as oxygen is one of the by-products on charging, and as a backup or a standalone battery for various Mars or Venus missions, where the carbon dioxide content in the atmosphere is high and need battery to operate at higher temperatures.

Mehta, Mohit↗

NASA NTRSDate not supplied

Natural Fiber Simulations and Analysis for Composites

As the U.S. government and the aviation industry strive to achieve net-zero carbon emissions by 2050, the Sustainable Manufacturing of Aircraft (SUMAC) project, supported by the Convergent Aeronautics Solutions (CAS) program of the National Aeronautics and Space Administration (NASA), aims to develop sustainably derived thermoplastic composites and manufacturing technologies for future aviation. A multidisciplinary team of experts drives this initiative through a collective effort. The team’s key focus areas are sustainably derived thermoplastic resins, natural fiber reinforcement, composite manufacturing, structural health monitoring, computational materials modeling, and systems analysis. This presentation will give an overview of the SUMAC project. Fiber-scale microscopy analysis characterized fiber cross sections finding that hemp and flax fibers are very deformable and non-circular (circularities of 0.2 were observed), and diameters range from submicron to 20 μm. Fiber shapes range from flattened, with aspect ratios Rlong/Rshort up to 5, to round, Rlong/Rshort =1. And Fiber core perimeters, which likely drives deformability, were calculated Pcore=7 μm. Explicit-fiber yarn simulations, parameterized from single-fiber measurements, resolved and identified slack as a cause for yarn strain-hardening tensile behavior. The bonded network model of PLA, PHA and PA11 resins captures tensile behavior, and can model an infused weave. Computational models of the weave unit cells matched the pattern (including plain, twill and triaxial braid), yarn ply (1to 2), and yarn twist from optical microscopy.

thermoplastic↗

NASA NTRSDate not supplied

Natural Fiber Simulations and Analysis for Composites

thermoplastic↗

DOE OSTI2026

Reduced-order CFD modeling of cryogenic hydrogen isotope extrusion for pellet fueling

This study presents a reduced-order model (ROM) for computational fluid dynamics (CFD) simulations of cryogenic hydrogen isotope extrusions, focusing on protium (H₂) and deuterium (D₂) piston extruders. Using a 2D axisymmetric ROM in ANSYS-Polyflow, significant computational savings were achieved (runtime reduced from 9∼24 h to 3∼5 min), with extrusion force discrepancies between the 2D ROM and 3D models being on the order of 1%. Parametric studies identified optimal cutoff shear rates in the viscosity model (0.01/s for H₂ and 0.001/s for D₂), providing recommendations for future simulations. Finally, a comprehensive comparison of ROM results with experimental data was performed across varying geometries, cryogenic materials, temperatures, extrusion lengths, and piston velocities. Predictions at low extrusion temperatures met the objective of providing quick and efficient solutions with an acceptable extrusion force error of approximately 10% or less, validating the effectiveness of the 2D ROM approach. However, at high temperatures closer to the triple point, extrusion force error grows, which necessitates developing an improved model that accounts for temperature effects, e.g. melting. Nevertheless, the findings still represent a significant improvement in efficiency of CFD modeling of cryogenic hydrogenic extrusion. The ROM framework can also be extended to tritium (T2) and screw extruders, which will ultimately provide a fast and effective tool for optimizing pellet injector design for ITER and future reactor systems.

Fan, Joy [ORNL] (ORCID:0000000229751735)↗

NASA NTRS1997

NASA Microgravity Combustion Science Program

Combustion is a key element of many critical technologies used by contemporary society. For example, electric power production, home heating, surface and air transportation, space propulsion, and materials synthesis all utilize combustion as a source of energy. Yet, although combustion technology is vital to our standard of living, it poses great challenges to maintaining a habitable environment. For example, pollutants, atmospheric change and global warming, unwanted fires and explosions, and the incineration of hazardous wastes are major problem areas which would benefit from improved understanding of combustion. Effects of gravitational forces impede combustion studies more than most other areas of science since combustion involves production of high-temperature gases whose low density results in buoyant motion, vastly complicating the execution and interpretation of experiments. Effects of buoyancy are so ubiquitous that their enormous negative impact on the rational development of combustion science is generally not recognized. Buoyant motion also triggers the onset of turbulence, yielding complicating unsteady effects. Finally, gravity forces cause particles and drops to settle, inhibiting deconvoluted studies of heterogeneous flames important to furnace, incineration and power generation technologies. Thus, effects of buoyancy have seriously limited our capabilities to carry out 'clean' experiments needed for fundamental understanding of flame phenomena. Combustion scientists can use microgravity to simplify the study of many combustion processes, allowing fresh insights into important problems via a deeper understanding of elemental phenomena also found in Earth-based combustion processes and to additionally provide valuable information concerning how fires behave in microgravity and how fire safety on spacecraft can be enhanced.

Merrill K King↗

DOE OSTI2023

Overcoming the Entropy Penalty of Direct Air Capture for Efficient Gigatonne Removal of Carbon Dioxide

Atmospheric carbon poses an existential threat to civilization via global climate change. Hundreds of gigatonnes of carbon dioxide must be removed from earth’s atmosphere in the next three decades, necessitating a low-cost, energy-efficient process to extract low concentrations of carbon dioxide for conversion to a stable material permanently stored for thousands of years. In this work, the challenge of removing gigatonnes of CO 2 is described via the scale of effort and the thermodynamics of collecting and reducing this diffuse chemical, the accumulation of which imparts a substantial entropy penalty on any atmospheric carbon capture process. The methods of CO 2 reduction combined with upstream direct air capture (DAC) including absorption, membrane separation, and adsorption are compared with biomass torrefaction and permanent burial (BTB). A Monte Carlo model assesses the mass, energy, and economics of the full process of biomass torrefaction from biomass collection and transport to stable carbon burial to determine that 95% of scenarios could remove carbon for less than $200 per CO 2 -tonne-equivalent. Torrefied carbon is further discussed for its long-term stability and availability at the scale required to substantially mitigate the threat of climate change.

biomass↗

DOE OSTI2026

Enzymatic Nylon Deconstruction: Enzyme Discovery, Engineering, and Opportunities

Nylons are widely used synthetic polyamides valued for their strength, versatility, and durability across diverse applications. However, their petrochemical origin and energy-intensive production underscore the need for efficient, circular solutions. Conventional recycling methods remain limited by incomplete recovery, material degradation, and costly sorting requirements. Enzymatic depolymerization offers a selective, low-energy alternative capable of processing mixed waste streams under mild conditions. While significant progress has been achieved for polyesters, enzymatic degradation of polyamides is still at an early stage. The discovery of nylon hydrolases demonstrated the potential of biological systems to evolve catalysts for synthetic polyamides, yet reported depolymerization yields remain low. These limitations reflect both the structural complexity of nylons and the need for improved enzyme discovery and engineering. In conclusion, this review highlights recent advances, key challenges, and future directions for enzymatic nylon recycling, outlining its potential role enabling mixed polymer waste to be used as a green feedstock for remanufacturing.

Amides↗

DOE OSTI2026

Revealing Hidden Quinones Through Diagnostic MS² Fragmentation of Peptide–Quinone Adducts

Quinones are redox-active components of natural organic matter that mediate electron transfer and influence biogeochemical processes, but many quinones in pyrogenic organic matter (PyOM) remain unresolved because they ionize poorly by mass spectrometry. Here, we present a peptide-tagging approach to improve detection of cysteine-reactive electrophiles in PyOM, with quinones expected to be a dominant subset based on reaction chemistry and selectivity experiments. A cysteine-containing peptide was used to form Michael-addition adducts, enhancing electrospray ionization and enabling untargeted screening by high-performance liquid chromatography-high-resolution tandem mass spectrometry. The method was benchmarked with five quinone standards and applied to extracts from charred plant material as a discovery-level screen for cysteine-reactive targets. We identified 98 quinone-candidate adducts (mean neutral mass ~603 Da), of which more than 70% were not detectable in native MS1 data. Among formula-assigned features, hidden quinone candidates had median (O+N)/C of 0.391 and normalized oxidation state of carbon of -0.281, consistent with relatively low polarity and low oxidation state. These results reveal a previously inaccessible pool of hidden redox-active compounds in PyOM and provide a framework for prioritizing quinone-like electrophiles for confirmation and incorporation into models of fire-driven biogeochemical cycling.

LC-MS/MS↗

NASA NTRS1999

Initial Test Firing Results for Solid CO/GOX Cryogenic Hybrid Rocket Engine for Mars ISRU Propulsion Applications

ORBITEC is developing methods for producing, testing, and utilizing Mars-based ISRU fuel/oxidizer combinations to support low cost, planetary surface and flight propulsion and power systems. When humans explore Mars we will need to use in situ resources that are available, such as: energy (solar); gases or liquids for life support, ground transportation, and flight to and from other surface locations and Earth; and materials for shielding and building habitats and infrastructure. Probably the easiest use of Martian resources to reduce the cost of human exploration activities is the use of the carbon and oxygen readily available from the CO2 in the Mars atmosphere. ORBITEC has conducted preliminary R&D that will eventually allow us to reliably use these resources. ORBITEC is focusing on the innovative use of solid CO as a fuel. A new advanced cryogenic hybrid rocket propulsion system is suggested that will offer advantages over LCO/LOX propulsion, making it the best option for a Mars sample return vehicle and other flight vehicles. This technology could also greatly support logistics and base operations by providing a reliable and simple way to store solar or nuclear generated energy in the form of chemical energy that can be used for ground transportation (rovers/land vehicles) and planetary surface power generators. This paper describes the overall concept and the test results of the first ever solid carbon monoxide/oxygen rocket engine firing.

Eric E Rice↗

NASA NTRS2026

Aerodynamic Performance and Acoustic Impacts of Varying Tip Speeds and Tripping Conditions on Small Rotors in an Anechoic Hover Chamber

Performance and acoustic measurements were taken in a hover chamber for various optimum hovering rotors (OPT2) and a commercial-off-the-shelf (COTS) rotor. A total of 10 rotors are included in this report, all of which have two blades and a tip radius of 0.1905 m (7.5 in.). For the OPT2, results for three additive manufacturing methods of fabrication are presented: stereolithography(SLA) using Accura Xtreme, SLA using FormLabs 10K resin, and selective laser sintering (SLS) using mineral-filled PA12 nylon material. All but one set of rotors were designed with a trailing edge bluntness that is 3% of the chord length, and one set was designed with a bluntness that is 1% of the chord length. Spanwise boundary layer trips were applied to the SLA, FormLabs and COTS rotors. Performance comparisons between untripped and tripped configurations demonstrate the impact of boundary layer state on rotor efficiency. Acoustic results, including periodic and broadband noise components, are presented. The effects of tripping these rotors near the leading edge are also presented. For some of the rotors, acoustic spectra of tip speed sweeps are presented to show how the frequency content changes with tip speed. Amplitude and frequency scaling methods are used to collapse broadband spectra at various tip speeds towards a unified curve. These findings contribute to the understanding of small rotor aeroacoustics and provide valuable datasets for computational model validation in urban air mobility applications.

eVTOL↗

NASA NTRS2026

The Trajectory of Recent Solid State Fusion Results

Both NASA and Google have explored and funded Low Energy Nuclear Reaction (LENR) aka Solid-State Fusion or Lattice Confinement Fusion (LCF) research. NASA has funded efforts since 1989, and Google Research began in 2014. Google, and researchers initially-funded by Google, published significant scientific papers in Nature, Nature Communications and the Journal of Applied Physics. NASA began a significant set of LENR-triggering programs in 2012 resulting in papers in Physical Review C, the Journal of Electroanalytical Chemistry and the Journal of Condensed Matter Nuclear Science. Both NASA and Google engaged researchers across fields of nuclear physics, chemistry, electrochemistry, material science and more. NASA built upon early novel gas pumping experiments then followed the patented work of the US Navy SPAWAR (US8,419,919, “System and Method to Generate Particles”) and experiments with the Naval Surface Warfare Centers. Google supported researchers at Lawrence Berkeley National Laboratory (LBNL), the University of British Columbia (UBC), MIT and others. This resulted in patent applications and two granted patents (US10264661B2, “Target structure for enhanced electron screening” and US10566094B2 “Enhanced electron screening through plasmon oscillations”). These separate efforts, unknown to the researchers at the time, provided the impetus for the DoE ARPA-E LENR program followed by the DARPA DSO “Mechanisms for Amplification of Fusion Reaction Rates in Solids” (MARRS) program. This document briefly describes the overlapping NASA and Google Research efforts in plasma loading and electron screening emphasizing the results of the latest paper in Nature Communications. The papers and patents cited are listed.

electron screening↗

DOE OSTI2026

Intrinsic even-odd thickness-driven anomalous Hall effect in epitaxial MnBi2⁢Te4 thin films

We demonstrate precise control of magnetism in MnBi2⁢Te4 thin films through careful synthesis by molecular beam epitaxy, achieving minimal defects and accurate layer thickness control. By optimizing Mn-Bi-Te ratios and growth temperatures, we minimize detrimental self-doping effects and accurately target integer-layer films. X-ray diffraction and reflectivity provide quantitative measures of film quality and thickness. When these macroscale probes of structure and thickness are integrated with magnetotransport measurements, a striking even-odd layer dependence of the anomalous Hall effect is revealed. Odd-layer films exhibit a large hysteresis up to the Néel temperature (∼25K), consistent with noncompensated antiferromagnetism, while even-layer films show minimal response, as expected for an antiferromagnet. The sign of the anomalous Hall effect exhibits a sign reversal for intrinsic magnetism versus magnetism associated with defects. This work identifies critical factors for inducing pure, noncompensated ferromagnetism and reveals the characteristics of the intrinsic anomalous Hall effect in MnBi2⁢Te4, which together is a step toward realizing the zero-field quantum anomalous Hall effect in topological materials.

Mallick, Deb [ORNL] (ORCID:000900005806411X)↗

DOE OSTI2024

High-Density Capacitive Energy Storage in Low-Dielectric-Constant Polymer PMMA/2D Mica Nanofillers Heterostructure Composite

The ubiquitous, rising demand for energy storage devices with ultra-high storage capacity and efficiency has drawn tremendous research interest in developing energy storage devices. Dielectric polymers are one of the most suitable materials used to fabricate electrostatic capacitive energy storage devices with thin-film geometry with high power density. In this work, we studied the dielectric properties, electric polarization, and energy density of PMMA/2D Mica nanocomposite capacitors where stratified 2D nanofillers are interfaced between the multiple layers of PMMA thin films using two heterostructure designs of the capacitors, PMMA/2D Mica/PMMA (PMP) and PMMA/2D Mica/PMMA/2D Mica/PMMA (PMPMP). The incorporation of a 2D Mica nanofiller in the low-dielectric-constant PMMA leads to an enhancement in the dielectric constant, with ∆ε ~ 15% and 53% for PMP and PMPMP heterostructures at room temperature. Additionally, a significant improvement in discharged energy density was measured for the PMPMP capacitor (Ud ~ 38 J/cm3 at 825 MV/m) compared to the pristine PMMA (Ud ~ 9.5 J/cm3 at 522 MV/m) and PMP capacitors (Ud ~ 19 J/cm3 at 740 MV/m). This excellent capacitive and energy storage performance of the PMMA/2D Mica heterostructure nanocomposite may inform the fabrication of thin-film, high-density energy storage capacitor devices for potential applications in various platforms.

Biochemistry & Molecular Biology↗

NASA NTRS2024

NIAC Phase I Final Report Lunar South Pole Oxygen Pipeline (LSPOP)

The Lunar South Pole Oxygen Pipeline (LSPOP) Phase I NIAC, is to analyze the feasibility of constructing a pipeline at the Moon’s South Pole for transporting gaseous oxygen from point of generation to point of use. A lunar pipeline has never been pursued and will revolutionize lunar surface operations for the Artemis program and reduce cost and risk. Our starting concept is for a 5 km pipeline to transport oxygen gas from an oxygen production source, for example from our molten regolith electrolysis (MRE, currently at TRL 5, see references[1],[2],[3],[4],[5],[6] for technical discussions of the MRE process) extraction site, or any other source, to an oxygen storage/liquification plant near a lunar base. The pipeline is designed to: 1) be constructed robotically from regolith-derived metals with minimal material transferred from Earth, 2) be repairable robotically, 3) have an oxygen flow rate of ~2 kg/hour, which is commensurate with the NASA initial projected need of 10,000 kg/year, 4) operate with minimal power over the lifetime of the pipeline, with a goal of high operational reliability and the ability to survive in the lunar environment for > 10 years. We compare this concept to a pipeline concept with pipe produced on Earth and then transported to and assembled on the Moon. Both approaches will use earth-based compressors, valves, and fittings which are integrated into the pipeline on the Moon.

NIAC Phase I↗

DOE OSTI2026

Molecular origin of anisotropic shear elastoplasticity in chitin

Chitin nano- and mesoscale structures present in the exoskeleton of crustaceans exhibit exceptional longitudinal stiffness and toughness, rivaling or even exceeding that of many synthetic polymer architectures. Here, we reveal the origin of the asymmetric shear response in chitin multiscale architectures, marked by pronounced anisotropy in deformation. Under shear aligned with the molecular axis, chitin accommodates strain through coherent atomic rearrangements that enable elastic recovery. In contrast, shear applied perpendicular to this axis induces liquid-like plasticity via localized sliding. These results demonstrate the intrinsic mechanical anisotropy of chitin, underpinning a dual function in resisting repetitive loading while dissipating internal stress during high-strain events. Our findings establish the molecular basis of shear elastoplasticity in multiscale chitin structures, wherein axial elasticity supports energy storage in load-bearing regions, whereas transverse plasticity enables controlled energy dissipation. These atomic-scale insights lay a foundation for the predictive design of chitin-based materials with tunable strength-toughness profiles.

Wan, Zhangmin [University of British Columbia, Van↗

DOE OSTI2026

A Data-Driven Method for Modeling Creep-Fatigue Stress- Strain Behavior Using Neural ODEs

In this paper, we introduce a data-driven machine learning approach for modeling one-dimensional stress–strain behavior under cyclic loading, utilizing experimental data from the nickel-based Alloy 617. The study employs uniaxial creep–fatigue test data acquired under various loading histories and compares two distinct neural network-based ODE models. The first model, known as the black-box model, comprehensively describes the strain–stress relationship using a Neural ODE equation. To interpret this black-box model, we apply the Sparse Identification of Nonlinear Dynamical Systems (SINDy) technique, transforming the black-box model into an equation-based model using symbolic regression. The second model, the Neural flow rule model, incorporates Hooke’s Law for the linear elastic component, with the nonlinear part characterized by a Neural ODE. Both models are trained with experimental data to accurately reflect the observed stress–strain behavior. We conduct a detailed comparison with the standard Chaboche model, which includes three back stresses. Our results demonstrate that the neural network-based ODE models precisely capture the experimental creep–fatigue mechanical behavior, exceeding the standard Chaboche model’s accuracy. Furthermore, an interpretable model derived from the black-box neural ODE model through symbolic regression achieves accuracy comparable to the Chaboche model, enhancing its interpretability. The results highlight the potential of neural network-based ODE models to depict complex creep–fatigue behavior, eliminating the necessity for experts to define a specific, material-focused model form.

creep-fatigue↗

DOE OSTI2026

Evolution of magnetic bubble domains in the uniaxial ferromaget CeRu 2 Ga 2 B inferred from the Hall effect and ac magnetic susceptibility

We study the Hall effect, AC magnetic susceptibility (χ ac ), and magnetic force microscopy of the uniaxial ferromagnet CeRu 2 Ga 2 B with a centrosymmetric crystal structure. We observe a finite topological Hall effect (THE) within the ordered phase, before the magnetization is polarized by applied field. By comparing the field dependences of the area fraction of the magnetic bubbles, the derivative of χ ac , and the THE signal, we deduce that the magnetic bubbles in CeRu 2 Ga 2 B evolve from the trivial to topological spin texture with field. Our findings enable the expansion of the search for magnetic materials hosting topological spin textures to include uniaxial ferromagnets and open a new possibility to tailor the topological spin texture.

AC magnetic susceptibility↗

NASA NTRS2009

General Purpose Data-Driven Monitoring for Space Operations

As modern space propulsion and exploration systems improve in capability and efficiency, their designs are becoming increasingly sophisticated and complex. Determining the health state of these systems, using traditional parameter limit checking, model-based, or rule-based methods, is becoming more difficult as the number of sensors and component interactions grow. Data-driven monitoring techniques have been developed to address these issues by analyzing system operations data to automatically characterize normal system behavior. System health can be monitored by comparing real-time operating data with these nominal characterizations, providing detection of anomalous data signatures indicative of system faults or failures. Data-driven techniques have a number of advantages over other methods for monitoring complex space vehicles. Unlike model-based systems, the developer does not need to understand or encode the internal operation of the system. The knowledge required to monitor the system is automatically derived from archived data from system operation. Unlike rule-based systems, data-driven systems do not require system analysts to define nominal relationships among sensors. Analysts can and often do determine these relationships for a system with few sensors; it is more difficult to analytically determine the nominal relationship among a large number of sensors. Data-driven techniques are not limited to low-dimensional spaces and work as effectively with dozens of parameters as they do with a few. Knowledge bases formed by data-driven techniques are also easy to update. As the operating envelope of the monitored system is expanded, data-driven techniques can be quickly retrained to incorporate the new behavior into the knowledge base. The expertise and time-consuming process of updating a model or rule base to maintain consistency with the new operation is not required. The Inductive Monitoring System (IMS) is a data-driven system health monitoring software tool that has been successfully applied to several aerospace applications. IMS uses a data mining technique called clustering to analyze archived system data and characterize normal interactions between parameters. This characterization, or model, of nominal operation is stored in a knowledge base that can be used for real-time system monitoring or analysis of archived events. System data is compared with the nominal IMS model to produce a measure of how well current system behavior matches the normal behavior defined by the training data. Significant deviations from the nominal system model can provide alerts to system malfunctions or precursors of significant failures. The scope of IMS based data-driven monitoring applications continues to expand with current development activities. Successful IMS deployment in the International Space Station (ISS) flight control room to monitor ISS attitude control systems has led to applications in other ISS flight control disciplines, such as thermal control. It has also generated interest in data-driven monitoring capability for Constellation, NASA's program to replace the Space Shuttle with new launch vehicles and spacecraft capable of returning astronauts to the moon, and then on to Mars. Several projects are currently underway to evaluate and mature the IMS technology and complementary tools for use in the Constellation program. These include an experiment on board the Air Force TacSat-3 satellite, and ground systems monitoring for NASA's Ares I-X and Ares I launch vehicles. The TacSat-3 Vehicle System Management (TVSM) project is a software experiment to integrate fault and anomaly detection algorithms and diagnosis tools with executive and adaptive planning functions contained in the flight software on-board the Air Force Research Laboratory TacSat-3 satellite. The TVSM software package will be uploaded after launch to monitor spacecraft subsystems such as power and guidance, navigation, and control (GN&C). It will analyze data in real-time to demonstrate detection of faults and unusual conditions, diagnose problems, and react to threats to spacecraft health and mission goals. The experiment will demonstrate the feasibility and effectiveness of integrated system health management (ISHM) technologies with both ground and on-board experiments. Initially, the TVSM software will run open loop, providing system health information and recommendations to ground operators, without automatically performing fault-mitigating corrective actions. After the end of the satellite's mission, closed loop tests combining TVSM monitoring and diagnosis with reactive capabilities by the flight software will be performed. In addition to monitoring for long periods of actual operation, the experiment will include fault injection into TacSat-3 data as well as commanded operations to test and evaluate automatic ISHM monitoring and recovery under controlled conditions.

Satellites↗