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DOE OSTI2025

Synthesis‐Related Nanoscale Defects in Mo‐Based Janus Monolayers Revealed by Cross‐Correlated AFM and TERS Imaging

2D Janus transition metal dichalcogenides (TMDs) are promising candidates for various applications including non-linear optics, energy harvesting, and catalysis. These materials are usually synthesized via chemical conversion of pristine TMDs. Nanometer-scale characterization of the obtained Janus materials’ morphology and local composition is crucial for both the synthesis optimization and the future device applications. In this work, we present the results of cross-correlated atomic force microscopy (AFM) and tip-enhanced Raman spectroscopy (TERS) study of Janus monolayers synthesized by the hydrogen plasma-assisted chemical conversion of MoSe 2 and MoS 2 . We demonstrate that the choice of both the growth substrate and the starting TMD influences the residual strain, thereby shaping the nanoscale morphology of the resulting Janus material. Furthermore, by employing TERS imaging, we show the presence of nanoscale islands (≈20 nm across) of MoSe 2 - ${\mathrm{Mo}}_{{\mathrm{Se}}}^{\mathrm{S}}$ (MoS 2 -${\mathrm{Mo}}_{\mathrm{S}}^{{\mathrm{Se}}}$) vertical heterostructures originating from the bilayer nanoislands in the precursor monolayer crystals. The understanding of the origins of nanoscale defects in Janus TMDs revealed in this study can help with further optimization of the Janus conversion process towards uniform and wrinkle-/crack-free Janus materials. Moreover, this work shows that cross-correlated AFM and TERS imaging is a powerful and accessible method for studying nanoscale composition and defects in Janus TMD monolayers.

2D materials↗

NASA NTRSDate not supplied

High Energy Hydroforming Friction Stir Welded 2050 Al-Li Blanks for Aerospace Domes and Cones

Friction stir welded (FSW) aluminum blanks offer larger preform sizes than available from the mill in single width plates. Large blanks made from aerospace-grade aluminum alloys are essential for making large domes and cones for launch vehicles and crew vehicles. Previous research efforts have demonstrated >5m FSW blanks can be formed into large domes or cones using spin forming, but the subsequent solution heat treatment consistently led to abnormal grain growth (AGG). The AGG phenomenon occurs because the FSW blanks must be spin formed in the -O annealed temper to withstand the high strain process without cracking. Subsequently, the solution heat treatment process leads to the onset of AGG, whereby a small number of grains grow much larger than the surrounding matrix. Ultimately, the large grains and bimodal grain-size distribution leads to unacceptable ductility in the short-transverse direction of the part. Alternatively, explosive hydroforming is a nascent process that can be applied to large and thick aerospace-grade aluminum alloy blanks in the -T3 temper and only require a post-forming artificial aging process to a -T8. Avoiding the solution heat treatment (SHT) process mitigates AGG, and also eliminates the need for very rare drop-furnace quench baths that can accommodate a part size larger than 5m in diameter. This presentation summarizes a Lockheed Martin-led effort that demonstrated explosive hydroforming of a 1.9m diameter, 39mm thick 2050 aluminum lithium FSW blank. Details will be provided on the process flow, mechanical properties, and metallographic analyses. This work was performed in partnership with NASA Langley Research Center (LaRC) under a NASA Announcement of Collaboration Opportunities program.

Friction stir welded blank↗

DOE OSTI2026

Tokamak Energy’s pre-concept design for a fusion power plant: an overview of ST-E1

Climate change and rapidly rising energy demand, driven in part by artificial intelligence and data-centre growth, create an urgent need for stable, low-carbon, and abundant power. Fusion is a promising long-term solution, yet its commercialisation faces a fundamental paradox in today’s investment environment: pilot plants are essential to de-risk physics, engineering, and operations, but their limited lifetime energy output and high upfront costs make them difficult to finance. This paper presents Tokamak Energy’s response: ST-E1, a pre-concept design for a low-aspect-ratio tokamak power plant engineered specifically to overcome this challenge. ST-E1 is designed from the outset for phased operation—pilot and commercial phases, with an upgrade phase in between—with emphasis on commercial viability, maintainability, nuclear engineering, modularity, and upgradability. A key design principle is the deliberate separation of long-lived assets, such as the magnet cage and vacuum vessel, from replaceable in-vessel systems. This provides an attractive and credible investment approach to generate operational data and de-risk key technologies while preserving most capital-intensive assets for later commercial phases. The architecture supports continuous optimisation toward high net electric power (targeting 800–1000 MW net electric), a normalised capital expenditure of $\$$ 12–14k/kW of net electric power, and high availability (targeting > 80%). A tokamak core with a 5 m major radius, aspect ratio of 2.3, and on-plasma axis toroidal field of 5.25 T was selected to meet these objectives. This paper summarises the ST-E1 design philosophy, principal features, and development methodology. It introduces a Focus Collection of 11 papers detailing the pre-concept design of the entire tokamak and corresponding plant.

ST-E1↗

DOE OSTI2024

Phase-field modeling of stored-energy-driven grain growth with intra-granular variation in dislocation density

Abstract We present a phase-field (PF) model to simulate the microstructure evolution occurring in polycrystalline materials with a variation in the intra-granular dislocation density. The model accounts for two mechanisms that lead to the grain boundary migration: the driving force due to capillarity and that due to the stored energy arising from a spatially varying dislocation density. In addition to the order parameters that distinguish regions occupied by different grains, we introduce dislocation density fields that describe spatial variation of the dislocation density. We assume that the dislocation density decays as a function of the distance the grain boundary has migrated. To demonstrate and parameterize the model, we simulate microstructure evolution in two dimensions, for which the initial microstructure is based on real-time experimental data. Additionally, we applied the model to study the effect of a cyclic heat treatment (CHT) on the microstructure evolution. Specifically, we simulated stored-energy-driven grain growth during three thermal cycles, as well as grain growth without stored energy that serves as a baseline for comparison. We showed that the microstructure evolution proceeded much faster when the stored energy was considered. A non-self-similar evolution was observed in this case, while a nearly self-similar evolution was found when the microstructure evolution is driven solely by capillarity. These results suggest a possible mechanism for the initiation of abnormal grain growth during CHT. Finally, we demonstrate an integrated experimental-computational workflow that utilizes the experimental measurements to inform the PF model and its parameterization, which provides a foundation for the development of future simulation tools capable of quantitative prediction of microstructure evolution during non-isothermal heat treatment.

Materials Science↗

DOE OSTI2025

Reconfigurable structural color by reversible switching of colloidal discoid liquid crystal alignment

Combining the effects of alternating-current (AC) electric fields and sedimentation reconfigures colloidal discoids between planar and homeotropic orientational alignments, thereby controlling the material’s structural color. Here, we self-assemble micrometer-size polystyrene discoids in an isopropanol-water mixture. After sedimentation, the discoids adopt a homeotropic alignment, with the minor axis perpendicular to the substrate. Adding an AC electric field (1 kHz) of ≥0.50 V switches the discoids to planar alignment—with the minor axis parallel to the substrate—within ∼100 s. Removing the field switches them back to homeotropic alignment within ∼300 s. Kinetic modeling of the field-induced torques yields good agreement with these measurements. The peak wavelength and intensity of the crystal’s diffraction response shift significantly upon reconfiguration; scattering simulation predicts these shifts. The reconfiguration is maintained for at least 10 cycles. This method is a simple, scalable avenue to reconfigure the optical properties of colloidal crystals produced from simple dielectric spheroids.

colloidal crystals↗

DOE OSTI2026

Postanaerobic Digestion Manure Fibers as a Renewable Source of Lignin-Derived Aromatic Compounds for Microbial Upgrading

Abstract Postanaerobic digestion manure fibers are an abundant solid residue that remains underutilized. The substantial lignocellulosic content of digested manure opens the possibility of using it as a renewable resource for producing valuable products. In this study, we performed compositional and nuclear magnetic resonance analyses to determine lignin content and aromatic composition of these fibers. Additionally, alkaline-based treatment and reductive catalytic fractionation were evaluated as two different processes to produce aromatic-rich streams. The liquor from the alkaline treatment was subsequently utilized for microbial upgrading to produce 2-pyrone-4,6-dicarboxylic acid (PDC). The results showed that lignin in manure fibers represents 30% of the biomass (dry weight basis), with a ∼26% abundance of β-ether-linked aromatics and ∼13% p-coumarate moieties, indicating that the amount of lignin in the postanaerobic biomass is comparable to a moderately pretreated plant biomass. The alkaline treatment released 5.6 g aromatics/kg fibers, while reductive catalytic fractionation produced 14.0 g aromatics/kg fibers. A bioreactor operated in fed-batch mode produced a yield of ∼1 mol of PDC/mol measured aromatics at a rate of 0.2 g PDC/L·h and a titer of 2.6 g PDC/L. This study demonstrates how postanaerobic digestion manure fibers could be used in a circular bioeconomy by harnessing their lignocellulosic content to extract aromatic compounds and use them for obtaining valuable chemicals via microbial upgrading.

Riascos, Brayan D. [University of Wisconsin-Madiso↗

NASA NTRSDate not supplied

Lessons Learned From A Cryogenic Motor Configuration Study for Aircraft Propulsion

Cryogenic electric machines are a promising technology for multi megawatt electric aircraft drivetrains. Superconducting stators that make use of low AC loss superconducting wires are considered to be a key component for these cryogenic machines. NASA has undertaken 6-year technical challenge to address this need by designing a 5 MW superconducting motor and cryogenic drive and developing multi-MW prototypes. This poster shares the lessons learned from a completed design study that evaluated several configurations of a 5 MW cryogenic motor for this application. The lessons are drawn from a qualitative study of 16 configurations and a quantitative study of 8 down selected configurations. The quantitative study involved using a motor design code based on analytical calculations (electromagnetic, thermofluid, mechanical, and motor sizing) to determine each configuration’s Pareto front of total efficiency and total specific power. This poster builds upon preliminary results that were previously presented by (1) reporting final results based on a revised design code for each configuration, including a considerable increase in fidelity for a novel radial flux motor and (2) making a down selection of the configuration for future detailed design and demonstration and documenting the rationale for the selection.

Superconductors↗

DOE OSTI2025

Preliminary Evaluation of Joint Electricity-Hydrogen Concept of Operations

An initial thermal power dispatch (TPD) concept of operations was evaluated that couples a nuclear power plant to a nearby hydrogen production plant. GSE Systems’ generic pressurized water reactor full-scope simulator was modified with a TPD model comprised of a thermal power extraction and delivery system. A prototype human-system interface (HSI) was developed to interact with the TPD model and allow participants to execute the basic operating scenarios for normal operations. Four retired operators performed the evaluation, and due to COVID-19 travel restrictions, the original in-person experimental design was restructured to support a remote participator evaluation using a web meeting platform. Data from operator feedback, observations from the research team, and quantitative survey responses revealed that the initial TPD concept of operations is feasible. The operators were comfortable with the engineered system and HSI and could manage it without adverse impacts to reactor power, plant safety, or equipment. Findings are discussed in terms of both the TPD system design and HSI performance.

human factors↗

NASA NTRS1977

Battery life test using reconditioning

A discussion is presented on nickel cadmium battery life tests using reconditioning and some comparative tests not using reconditioning. The discussion is aimed at the program application part of the testing. The goals of the program were to get an increased utilization out of the battery system in geosynchronous orbit. An attempt was made to push the depth of discharge operation up around 80 to 85 percent and the intent with the reconditioning program was to extend this type of utilization out towards a 10-year life and attune the voltage regulation.

Sparks, R. H.↗

DOE OSTI2026

Rinse-Free, Sodium-Efficient Synthesis of O3-Type Layered Oxide Materials Enabled by Acetate Precursors

Sodium-ion batteries (SIBs) are a sustainable alternative to lithium-ion systems for global electrification, with O3-type layered oxide cathodes offering high specific capacity and feasibility of scalable synthesis. Industrial co-precipitation synthesis of these cathodes typically uses transition metal sulfates, requiring extensive water rinsing to remove Na 2 SO 4 impurities, a process that consumes significant water and risks residual inactive phases if incomplete. Here, this work introduces a rinse-free, resource-efficient approach using metal acetate precursors. Residual sodium acetate in non-rinsed precursors decomposes during sintering to generate Na 2 CO 3 in situ, partially substituting an external sodium resource (e.g., NaOH and Na 2 CO 3 ) and reducing its consumption by ∼18–20%. Phase-pure O3-Na 1.0 Ni 1/3 Fe 1/3 Mn 1/3 O 2 (NFM111) cathodes synthesized via this method exhibit microstructure and electrochemical performance comparable to rinsed sulfate-derived counterparts, with initial capacities of 141 mAh g −1 at C/20 (7.5 mA g −1 ). By eliminating rinsing and minimizing sodium reagent use, this acetate-based route enhances sustainability and scalability of layered oxide production for SIBs.

acetate vs. sulfate↗

NASA NTRS1982

Spacecraft thermal balance testing using infrared sources

A thermal balance test (controlled flux intensity) on a simple black dummy spacecraft using IR lamps was performed and evaluated, the latter being aimed specifically at thermal mathematical model (TMM) verification. For reference purposes the model was also subjected to a solar simulation test (SST). The results show that the temperature distributions measured during IR testing for two different model attitudes under steady state conditions are reproducible with a TMM. The TMM test data correlation is not as accurate for IRT as for SST. Using the standard deviation of the temperature difference distribution (analysis minus test) the SST data correlation is better by a factor of 1.8 to 2.5. The lower figure applies to the measured and the higher to the computer-generated IR flux intensity distribution. Techniques of lamp power control are presented. A continuing work program is described which is aimed at quantifying the differences between solar simulation and infrared techniques for a model representing the thermal radiating surfaces of a large communications spacecraft.

G. B. T. Tan↗

DOE OSTI2024

X-ray linear dichroic tomography of crystallographic and topological defects

Abstract The functionality of materials is determined by their composition 1–4 and microstructure, that is, the distribution and orientation of crystalline grains, grain boundaries and the defects within them 5,6 . Until now, characterization techniques that map the distribution of grains, their orientation and the presence of defects have been limited to surface investigations, to spatial resolutions of a few hundred nanometres or to systems of thickness around 100 nm, thus requiring destructive sample preparation for measurements and preventing the study of system-representative volumes or the investigation of materials under operational conditions 7–15 . Here we present X-ray linear dichroic orientation tomography (XL-DOT), a quantitative, non-invasive technique that allows for an intragranular and intergranular characterization of extended polycrystalline and non-crystalline 16 materials in three dimensions. We present the detailed characterization of a polycrystalline sample of vanadium pentoxide (V 2 O 5 ), a key catalyst in the production of sulfuric acid 17 . We determine the nanoscale composition, microstructure and crystal orientation throughout the polycrystalline sample with 73 nm spatial resolution. We identify and characterize grains, as well as twist, tilt and twin grain boundaries. We further observe the creation and annihilation of topological defects promoted by the presence of volume crystallographic defects. The non-destructive and spectroscopic nature of our method opens the door to operando combined chemical and microstructural investigations 11,18 of functional materials, including energy, mechanical and quantum materials.

Science & Technology - Other Topics↗

NASA NTRSDate not supplied

Design and Analysis of Battery Thermal Management Systems

Thermal management of battery cell packs is a critically needed technology. The purpose of this work is to design new and improved Battery Thermal Management Systems (BTMS) for use in electric airplanes. The BTMS should be 3D printable and hold twelve to sixteen 18650 batteries. To minimize aircraft’s weight, an actively air-cooled battery pack was chosen to avoid the excess weight of water-cooled and phase change material (PCM) cooled packs. As a result, significant changes were made to remove all metal in the pack and replace it with lower density polymer matrix composites (PMCs) which can be additively manufactured. Two air cooled battery pack configurations (traditional propeller fans & bladeless fans) were designed, modeled, and compared. These packs were first modeled in SolidWorks 2021 3D CAD, then imported into COMSOL MultiPhysics to be studied using the “Heat Transfer in Solids and Fluids” module. The design with the bladeless fans eliminated the need to use high conductivity heavy metal to remove unwanted thermal energy. These bladeless fans were designed entirely out of PMCs. This thermal pack design weighs 0.04 kg less than that of the traditional propeller fans design and has increased the battery pack energy density by 8.25 Wh/kg.

Thermal Management System for Battery Packs↗

NASA NTRSDate not supplied

Mission Design Considerations for a Low-Thrust Spacecraft

Developing an executable low-thrust trajectory for use in a spaceflight mission requires the design and optimization of a deterministic trajectory as well as the validation that the selected architecture is robust to some set of uncertainties, execution errors, and potential contingencies. Uncertainty in the ability of the spacecraft and its launch vehicle to execute a trajectory as well as potential deviations such as in-flight anomalies combine with design-to constraints and requirements to complicate the optimization problem. The approach by which robust mission design was accomplished for the initial capability of NASA’s Gateway is presented as well as associated results.

NRHO↗

NASA NTRSDate not supplied

Mission Design Considerations for a Low-Thrust Spacecraft

mission design↗

NASA NTRSDate not supplied

Evaluation of Low-Energy Hydrogen Separation Method Using Metal-Organic Frameworks (MOFs) for Closed-Loop ECLSS Air Revitalization (CLEAR)

The State-of-the-Art (SOA) air revitalization architecture onboard the International Space Station (ISS) recovered approximately 50% of the oxygen (O 2 ) from metabolic carbon dioxide (CO 2 ) via the Sabatier process from 2011 to 2017. O 2 recovery is currently constrained by the limited availability of reactant hydrogen (H 2 ) preventing complete conversion of CO 2 to H 2 O. Increasing O 2 recovery within Closed-Loop ECLSS is essential to reducing resupply mass for long-duration manned missions; specifically focusing on water (H 2 O) which supplies H 2 for Sabatier via water electrolysis. Past ground test endeavors at Marshall Space Flight Center (MSFC) have attempted to recover H 2 from Sabatier-produced CH 4 using technologies such as carbon vapor deposition (CVD) and plasma pyrolysis. The byproducts of these technologies can act as a catalyst poison or reactor deadload to the Sabatier reactor. Hydrogen separation techniques must be utilized to maintain the Sabatier catalyst during gas recycling and must be scalable, non-energy intensive, and safe to operate in a habitation setting. Research indicated that metal-organic frameworks (MOFs) could meet these criteria and were tested for their capability to capture the various carbon-based gaseous products of CVD and plasma pyrolysis such as acetylene (C 2 H 2 ), ethylene (C 2 H 4 ), ethane (C 2 H 6 ), and carbon monoxide (CO) which would purify the hydrogen gas stream passing through the MOF. A sub-scale adsorption column was developed by Marshall Space Flight Center to test three MOF candidates against a synthetic gas mixture comprised of process-relevant carbonous gases and hydrogen to evaluate the separation capability of the MOFs. The results of the hydrogen separation capability, isothermal desorption capability, and demonstrated cyclic reuse of the MOF are presented in this paper.

Kagen Crawford↗

DOE OSTI2026

Weibel-mediated filamentary structures observed in the ICF context

Here, in light of novel and past experimental results, we demonstrate how Weibel-mediated filamentary structures can develop in the expanding plasma plume of a laser-irradiated foil. The transverse ballistic cooling that occurs during the quasi-spherical plasma expansion naturally drives an electron pressure anisotropy, resulting in the growth of electron current filaments. This effect competes with electron–ion Coulomb collisions, which tend to isotropize the electron distribution function. Based on theoretical and particle-in-cell modeling, we provide estimates of the dominant wavelength and amplitude of the self-generated magnetic fluctuations, which are found to explain experimental data obtained at the OMEGA and Laser Megajoule facilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Development of an Amine Oxide Polyzwitterion Brush Martini Model with Polarizable Water and Ions

Abstract In order to accurately simulate the fouling process of proteins onto polyzwitterion brushes, models that accurately capture the hydration properties and chain conformations of such brushes must first be established. We developed a Martini coarse-grained (CG) model for amine oxide polyzwitterion (PNOMA) brushes, a promising class of antifouling materials, in polarizable water and ions by fitting to all-atom bond and angle distributions, monomer hydration free energy, monomer–monomer distance potential of mean force (PMF), and monomer–salt radial distribution functions (RDFs). Martini 2.2P was selected for compatibility with the established polarizable water and ion models. For comparison with PNOMA, we also constructed models for conventional sulfobetaine (PSBMA) and phosphorylcholine (PMPC) polyzwitterions and the polycation PMETAC using established nonbonded bead types from the literature and refitting bond and angle potentials. We simulated each polymer brush chemistry for varying grafting density and chain length, validating brush height scaling relations against experimental data. The CG models captured the relative hydration strengths among different polyzwitterion chemistries, and brush heights extrapolated to higher molecular weights are in agreement with experimental ellipsometry data. We find that chain swelling of the superhydrophilic PNOMA brushes lies between that of the traditional polyzwitterions PSBMA/PMPC and the polycation PMETAC. For PNOMA brushes in NaCl solution, simulated brush height decreases with salt concentration due to the selectively strong interactions between amine oxide and sodium ions.

Walker, Christopher C. [Oak Ridge National Laborat↗