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DOE OSTI2026

Design Trade-Offs in Composite Fuel Cell Membranes: Effects of Reinforcement and Chemical Additives

Perfluorosulfonic acid (PFSA) membranes are critical components in proton exchange membrane fuel cells, where performance depends on balancing ionic conductivity, mechanical durability, and chemical stability. This study characterizes a composite membrane (NC700) featuring PFSA-impregnated expanded polytetrafluoroethylene (ePTFE) reinforcement and cerium-based radical scavengers, benchmarked against unreinforced NR211. Complementary techniques, including electron microscopy, X-ray scattering, infrared spectroscopy, thermogravimetric analysis, and dynamic mechanical analysis, identify the structural and compositional strategies employed in NC700. Water sorption isotherms reveal lower water uptake for NC700 across all conditions, attributed to reinforcement and cerium incorporation. Reinforcement reduces in-plane swelling from 11% to 2.1% at 90% RH, confirming strong swelling anisotropy, while maintaining mechanical properties at elevated temperatures. While the ionic conductivity of NC700 is approximately 10% lower than that of NR211, the reduced thickness yields a 40% decrease in calculated area-specific resistance, suggesting the composite architecture can favorably shift the conductivity-stability trade-off. The composite structure also reduces gas permeability, indicating potential for improved separator function alongside favorable transport properties. Systematic deconvolution of reinforcement and additive contributions shows that conductivity losses from cerium incorporation are largely offset by gains from the lower equivalent-weight polymer, providing quantitative relationships that may guide composite membrane design for fuel cells and other electrochemical applications.

25 ENERGY STORAGE↗

NASA NTRS1993

Micromechanics of crenulated fibers in carbon/carbon composites

The influence of crenulated noncircular fibers on the micromechanical stress states due to a transverse strain and to a temperature change in carbon/carbon composites is examined using the finite element method. Stresses at the interface of both fully bonded and fully disbonded fibers having two crenulation amplitudes and with two fiber volume fractions are presented. In each case, these interface stresses are compared to stresses at the interface of circular fibers which have the same degree of disbond and fiber volume fraction and are under the same loading conditions. For the disbonded cases, deformed meshes showing locations of fiber/matrix contact are also included. In addition to the interface stress states, selected composite properties are also computed and compared in each case examined. Interest in studying noncircular fibers stems from a desire to increase the transverse properties of carbon/carbon by introducing a mechanical interlocking between the fiber and the matrix. Results presented here indicate that this interlocking does in fact occur. Evidence from the interface stress data suggests, however, that any possible advantage of this interlocking may be outweighed by the disadvantage of stress concentrations which arise at the interface due to the crenulated geometry of the fibers.

E. E. Carapella↗

DOE OSTI2026

Large Scale Granulator Development Designed to Process Reclaimed Feedstock for Sustainable Additive Manufacturing Applications

This CRADA between UT-Battelle, LLC (Contractor) and re:3D Inc. (Participant) aims to develop an affordable large-scale granulator system designed to process reclaimed plastic feedstock suitable for additive manufacturing applications. The 24-month project will focus on testing, prototyping, and optimizing a shredder/granulator system. This project also focuses on the processing steps (e.g. washing and sorting) that can convert waste plastics, like discarded water bottles, into flake/granules which can be 3D printed using re:3D’s Fused Granular Fabrication (FGF) 3D printers. If successful, this could enable more localized 3D printing using recycled plastics, reducing waste and feedstock costs.

Wang, Peter [Oak Ridge National Laboratory (ORNL),↗

DOE OSTI2025

High-throughput micro-scale bandgap mapping for perovskite-inspired materials with complex composition space

Abstract To realize the full promise of high-throughput experimental workflows, the rate of sample synthesis must be matched by that of characterization. Of growing interest are contactless optical techniques that can rapidly measure material homogeneity and properties. Here, we present a hyperspectral imaging method to measure local optical bandgap distributions within samples, utilizing spatially-resolved reflectance spectra coupled with automated data analysis. We collect approximately one million optical bandgap data across the compositional space of Cs 3 (Bi x Sb 1-x ) 2 (Br y I 1-y ) 9 perovskite-inspired materials. Our results show non-monotonic bandgap variations (i.e., bandgap bowing) along six composition gradient sequences, in addition to identifying samples with multiple bandgaps in statistics. High-throughput transient absorption spectroscopy reveals that within these compositions, the depletion of the ground state carriers to excited states occurred at discrete energy levels with independent carrier dynamics, consistent with the bandgap observation and indicative of phase separation. This work demonstrates the potential for rapid optical measurements to assess material quality and homogeneity in a high-throughput experimental setting, supporting screening and recipe optimization of optoelectronic material candidates with desired carrier dynamics and optical properties.

Science & Technology - Other Topics↗

DOE OSTI2025

Electronic structure prediction of medium and high entropy alloys across composition space

We propose machine learning (ML) models to predict the electron density — the fundamental unknown of a material’s ground state — across the composition space of concentrated alloys. From this, other physical properties can be inferred, enabling accelerated exploration. A significant challenge is that the number of descriptors and sampled compositions required for accurate prediction grows rapidly with species. To address this, we employ Bayesian Active Learning (AL), which minimizes training data requirements by leveraging uncertainty quantification capabilities of Bayesian Neural Networks. Compared to the strategic tessellation of the composition space, Bayesian-AL reduces the number of training data points by a factor of 2.5 for ternary (SiGeSn) and 1.7 for quaternary (CrFeCoNi) systems. We also introduce easy-to-optimize, body-attached-frame descriptors, which respect physical symmetries while keeping descriptor-vector size nearly constant as alloy complexity increases. Our ML models demonstrate high accuracy and generalizability in predicting both electron density and energy across composition space.

materials science↗

DOE OSTI2023

Shear and combustion characterization of printable ammonium perchlorate composite propellant formulations

Seven formulations of ammonium perchlorate composite propellant (APCP) are developed and their properties relevant for successful additive manufacture are characterized. Extrusion in a custom-built 3D printing system and spindle viscometry are used to collect viscosity measurements of curing primary and non-curing secondary versions of the formulations. The formulations that behave similarly to a Bingham plastic, with apparent viscosities between 4 and 8 thousand Pa*s at 30 minutes post-mix, are determined to be most suitable for printing applications. Measurements of one material show a yield stress of 1 kPa. Ambient pressure burn rates of 2.0–2.9 mm/s were measured for the compositions tested. All measured burn rates were comparable to the lower end of typical burn rates for APCP. In conclusion, the results of the characterization demonstrate a propellant suitable for use in a 3D printing system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2026

Micromechanical Design of Carbon Nanotube Ribbon Reinforced Polymer Composite Materials

Lightweight materials are an important component of the design of aerospace structures. Carbon nanotube materials have been considered for this purpose due to the strength and stiffness of individual nanotubes, and the commercial availability of bulk formats such as fibers. These fibers can have a ribbon cross section which results in a different design space for their composites relative to traditional reinforcements which have a round cross section. This work applies brick-and-mortar micromechanical models and classical lamination theory with an inverse approach to investigate the design space of these composites. Using this approach, the influences of fiber geometry and axial and transverse mechanical properties are mapped. Finally, a sensitivity study is performed and the relative impacts of ±10% variations in the constituent material and geometric properties are ranked. Lamina axial moduli were found to range from a maximum of 3x to 1x minimum relative to a target quasi-isotropic laminate modulus depending on the anisotropy and shear modulus of the lamina. The fiber targets depended strongly on the fiber volume fraction in the lamina and the fiber axial modulus target was found to range from 4.8x to 3.2x the quasi-isotropic laminate target. The sensitivity analysis found that the largest driver of performance was the volume fraction, followed by the fiber axial modulus. While bio-based brick-and-mortar composites, such as nacre, can benefit from reinforcement aspect ratios above 10, for carbon nanotube ribbon (or carbon fiber)/polymer composites the sensitivity study indicated that the optimal cross-sectional aspect ratio was relatively smaller, potentially less than three.

Micromechanics↗

NASA NTRS2026

Biobased Polybenzoxazine Derived from Furfurylamine and Piceol with Low Cure Temperature and Advanced Properties for Composite Matrices

A novel benzoxazine made from furfurylamine, paraformaldehyde, and piceol, Bz-FA-HA, is assessed for applications in fiber reinforced (FR) composites. Piceol is a biobased phenolic compound derived from the roots of Norwegian spruce trees and contains a methyl ketone group at the para position. Bz-FA-HA is a liquid at room temperature, has a viscosity of < 1 Pa.s at temperatures above 90 °C, and a Tonset of cure at 132 °C. The carbonyl is found to react with the furan ring, yielding a crosslinking reaction, when cured above 180 °C as indicated by differential scanning calorimetry and thermogravimetric analysis coupled with Fourier transform infrared spectroscopy. Poly(Bz-FA-HA) has a Tg > 350 °C, attributed to the crosslinking reaction. Furthermore, the storage modulus is > 3 GPa, regardless of cure temperature. Poly(Bz-FA-HA) has a char yield at 800 °C of 65.0 % (62.3 % at 1000 °C), and a Tonset of decomposition of 357 °C in nitrogen. The resulting carbon formed during pyrolysis shrinks during the carbonization reaction and scanning electron microscopy imaging shows a cross-section with micro cracks. The high processability, advanced mechanical properties, and exceptional char yield make it a promising candidate as the matrix for FR composites.

Benzoxazine↗

NASA NTRS2025

Enhancing Nasa Sounding Rocket Capabilities Through Composite Material Adoption

Sounding rockets are a suborbital research platform employed by NASA for heliophysics, astrophysics, and geospace science investigations, and for technology development. They follow semi-parabolic trajectories and are launched using surplus military, and commercial, solid-propellant rocket motors. NASA sounding rocket payloads are comprised of standard, modular subassemblies, designed to perform specific functions critical to achieving mission success criteria. Since the program’s inception, payload length and mass have trended upwards, limiting the capability of the platform to reach exospheric apogees and decreasing the time above critical altitudes to observe solar and celestial targets. To offset this trend, composite materials may be of use in payload and subsystem design to decrease payload mass. This investigation seeks to understand if there is a practical benefit to introducing composite materials on the NSRP by assessing mission specific impacts to those missions conducted in fiscal year 2024. To accurately estimate the mass of a composites-based payload, a standard subsystem (NIACS) underwent structural reconfiguration. Materials were selected that align with NSRP design, manufacturing, and testing standards. NIACS reconfiguration resulted in a mass reduction of 19.6% which was then applied to the payload system in entirety. Using vehicle performance carpet plots, delta apogee and time above the Kármán line were determined. Performance improvements were then evaluated against that mission’s success criteria to determine if that mission would have benefitted from using composite materials. On average, each mission would have gained 59.8 kilometers apogee and 62.9 seconds above the Kármán line. However, only nine of the seventeen missions would have benefitted from these performance improvements. Two of the missions could have used a lower-impulse launch vehicle to achieve mission success. Upleg stability met programmatic criteria; downleg instability and dynamic pressure improved, showing that ballast would not offset the mass reduction of using composite materials. Cost analysis showed that production costs will increase 39%. For the two missions that could have used a lower-impulse launch vehicle, the cost of the launch vehicle would have offset payload production costs. In summary, composite materials are not recommended for universal use on NASA sounding rocket payloads due to unclear programmatic benefits and added cost. However, they are justified for optical astrophysics and heliophysics missions, high-apogee (exosphere) requirements, or when they reduce payload costs versus higher impulse launch vehicles. Reflown, recoverable subsystems should use composites to enhance apogee and observation time.

Robert Henry Burth↗

NASA NTRSDate not supplied

Dust Composition of Comet 81P/Wild 2 From JWST Spectroscopy Compared to Stardust’s Fine-Grained Materials and Gems-Rich IDPS

The Stardust Mission returned samples from the coma of Jupiter Family comet 81P/Wild 2 for detailed laboratory analyses. Here we present and discuss the best-fit thermal dust model for the coma dust of comet 81P/Wild 2 as observed by JWST. Comet 81P was observed through JWST GO 018xx, using NIRSpec (2.9–5.3µm, λ/∆λ≈1000) and MRS IFU (4.9–28.1µm, λ/∆λ≈3000) on 2023-03-20 UT and 2023-03-24 UT, respectively, at a heliocentric distance of 1.85 au and JWST distance of 1.43 au (phase angle of 32 degrees). The dust coma of 81P as revealed by JWST offers a salient compliment to laboratory studies of Stardust samples that typically are bigger than 2 µm and up to 60 µm in size.

D H Wooden↗

DOE OSTI2025

Bi‐Continuous W‐Rich Refractory High Entropy Alloy‐Cu Composite: Toward Material Innovation of Nuclear Reactor Coolant System

Abstract Refractory high‐entropy alloys (RHEAs) are considered promising candidate materials for next‐generation nuclear reactors due to their superior mechanical strength, irradiation resistance, and thermal stability at high temperatures. However, the significant positive heat of mixing between refractory alloying elements and Cu, commonly used in cooling systems, poses challenges in forming composite structures. This study addresses the issue using a liquid metal dealloying (LMD) process. A precursor alloy (WTaVTi) with a directional dendrite‐interdendrite structure is fabricated and reacted with molten Cu at 1200 °C for 96 h. This approach produced a RHEA‐Cu composite with a stable interface between RHEA (W 31.5 Ta 30.9 V 21.4 Ti 14.3 ) and Cu, featuring a spontaneously formed W‐rich interlayer that enhances interfacial bonding. The composite showed excellent irradiation resistance, with 30% less swelling under α‐ion irradiation than pure W. It also exhibited low thermal conductivity at room temperature, but reached ≈120 W m −1 ·K −1 at ≈650 °C, surpassing pure W. This temperature‐dependent rise in κ, with a positive gradient of +0.075 W m −1 ·K − 2 , is attributed to decreasing diffuse mismatch at elevated temperatures. The large‐scale reaction and stable microstructure achieved through LMD process highlight its industrial potential. This work offers a strategy for developing high‐performance materials by combining RHEA's radiation resistance with Cu's thermal conductivity for extreme environments.

Chemistry↗

DOE OSTI2025

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗

DOE OSTI2025

Synthesis and Characterization of Soy Hull Biochar-Based Flexible Polyurethane Foam Composites

Flexible polyurethane foams are a diverse class of materials encompassing furniture, packaging, automotive, and many other industrial and domestic applications. Polyurethane foams are synthesized by the addition of polyols and isocyanates; however, the petroleum origin and toxic nature of isocyanates have driven many to look for more sustainable routes to production. Renewable fillers have emerged as a biobased resource to decrease the carbon footprint of this widely used polymeric material. In this study, soy hulls, as mass-produced, industrial by-products of soybean production, were used to create a biochar beneficial in the synthesis of flexible polyurethane foam composites. The addition of soy hull biochar was found to maintain the compression properties of foams at a decreasing isocyanate index, reducing the amount of isocyanates needed for production. In addition, the addition of biochar decreased the flammability of foams, important for many applications where consumer safety is important. The results point to the ability to create safer, more sustainable, and even more cost-effective polyurethane foams through the reduction in isocyanate use while maintaining the properties of this important class of polymers.

Chemistry↗

DOE OSTI2026

Biochar–polymer composites for 3D printing: a review

Biochar, a bio-based co-product of biofuel production via thermochemical conversion, holds potential as a filler for polymer composites to reduce costs, improve thermomechanical properties, and aid in environmental remediation. 3D-printed biochar composites have received growing interest over the past few years but have experienced difficulties such as poor layer adhesion and nozzle clogging. Currently, no literature review examines 3D-printed biochar composites and related biochar properties in-depth. This work summarizes and discusses recent studies on 3D-printed polymer and biochar composites and examines their mechanical, thermal, and additional properties that result from each study. Technical challenges in printability, such as nozzle clogging from particle size and biochar aggregation, are also discussed. Furthermore, this work discusses the variability of biochar properties resulting from the pyrolysis conditions and feedstock choice in relation to potential 3D printing outcomes. In particular, several studies reported that high lignin feedstocks could be candidates for 3D printing. The post-processing approaches of the biochar via physical and chemical methods are also introduced. Ball milling appears to hold the most promise for physical treatments due to its tunability of particle size, surface area, and functional groups, while chemical treatments with acids or alkalis are used to tailor biochar porosity and wettability. Overall, it was determined that future research needs to be done relating biochar production and post-processing methods to resulting 3D printing parameters as the number of studies is limited.

Day, Rachel [Auburn University, Auburn, AL]↗

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↗

NASA NTRS2004

Polyimide/Carbon Nanotube Composite Films for Electrostatic Charge Mitigation

Low color, space environmentally durable polymeric films with sufficient electrical conductivity to mitigate electrostatic charge (ESC) build-up have potential applications on large, deployable, ultra-light weight Gossamer spacecraft as thin film membranes on antennas, solar sails, thermal/optical coatings, multi-layer insulation blankets, etc.. The challenge has been to develop a method to impart robust electrical conductivity into these materials without increasing solar absorptivity (alpha ) or decreasing optical transparency or film flexibility. Since these spacecraft will require significant compaction prior to launch, the film portion of the spacecraft will require folding. The state-of-the-art clear, conductive coating (e.g. indium-tin-oxide, ITO) is brittle and cannot tolerate folding. In this report, doping a polymer with single-walled carbon nanotubes (SWNTs) using two different methods afforded materials with good flexibility and surface conductivities in the range sufficient for ESC mitigation. A coating method afforded materials with minimal effects on the mechanical, optical, and thermo-optical properties as compared to dispersal of SWNTs in the matrix. The chemistry and physical properties of these nanocomposites are discussed.

Smith, Joseph G., Jr.↗

DOE OSTI2026

R&D GREET Battery Carbon Footprint Calculator

The Battery Carbon Footprint (CF) Calculator was developed to help U.S. battery manufacturers meet the carbon footprint reporting requirements of the EU Battery Regulation (EU) 2023/1542. The calculator incorporates several major battery carbon footprint frameworks, including the Joint Research Centre's Rules for the Calculation of the Carbon Footprint of Electric Vehicle Batteries (CFB-EV), RECHARGE's Product Environmental Footprint Category Rules for High Specific Energy Rechargeable Batteries for Mobile Applications (PEFCR), the Catena-X Product Carbon Footprint Rulebook (CX-PCF Rules), Battery Pass's Battery Carbon Footprint: Rules for Calculating the Carbon Footprint of the "Distribution" and "End-of-Life and Recycling" Life Cycle Stages, the Global Battery Alliance's Greenhouse Gas Rulebook: Generic Rules, Version 2.1, and the Ministry of Economy, Trade and Industry's draft Carbon Footprint Calculation Method for Automotive Batteries. The tool pairs these frameworks with foreground data from Argonne's R&D GREET models and integrates user-supplied background data covering battery manufacturing and supply chain activities. By bringing multiple international methodologies together in a single platform, the calculator enables manufacturers to evaluate product carbon footprints, improve data consistency, and prepare for evolving regulatory compliance and global market reporting requirements.

Zhang, Jingyi↗