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DOE OSTI2024

Actuating Liquid Crystals Rapidly and Reversibly by Using Chemical Catalysis

Abstract Microtubules and catalytic motor proteins underlie the microscale actuation of living materials, and they have been used in reconstituted systems to harness chemical energy to drive new states of organization of soft matter (e.g., liquid crystals (LCs)). Such materials, however, are fragile and challenging to translate to technological contexts. Rapid (sub‐second) and reversible changes in the orientations of LCs at room temperature using reactions between gaseous hydrogen and oxygen that are catalyzed by Pd/Au surfaces are reported. Surface chemical analysis and computational chemistry studies confirm that dissociative adsorption of H 2 on the Pd/Au films reduces preadsorbed O and generates 1 ML of adsorbed H, driving nitrile‐containing LCs from a perpendicular to a planar orientation. Subsequent exposure to O 2 leads to oxidation of the adsorbed H, reformation of adsorbed O on the Pd/Au surface, and a return of the LC to its initial orientation. The roles of surface composition and reaction kinetics in determining the LC dynamics are described along with a proof‐of‐concept demonstration of microactuation of beads. These results provide fresh ideas for utilizing chemical energy and catalysis to reversibly actuate functional LCs on the microscale.

Chemistry↗

DOE OSTI2025

Lepto-axiogenesis with light right-handed neutrinos

We study lepto-axiogenesis in theories where the right-handed neutrino is light enough that its dynamics affect the determination of the baryon asymmetry. When compared with theories of high-scale lepto-axiogenesis where the Majorana neutrino mass may be treated as an effective dimension-five operator, we find that the predicted saxion mass is lower. Two distinct scenarios emerge. In the first, processes that generate the baryon asymmetry are in equilibrium down to the mass of the right-handed neutrino. In the second, the relevant processes never reach equilibrium; the baryon number freezes in. We comment on implications for supersymmetric spectra and discuss constraints on late decays of supersymmetric relics and from dark radiation. In contrast to high-scale lepto-axiogenesis, which predicts superpartners with masses of 10–100 TeV or more, we find this scenario is consistent with a wider range of superpartner masses, all the way down to current direct search bounds.

Axions and ALPs↗

NASA NTRSDate not supplied

NASA Space Launch System Artemis I & II Post Flight Ascent Aerothermal Environments Overview

Since 2011 the Aerosciences Branch/EV33 at NASA Marshall Space Flight Center has been involved with the development of ascent external aerothermal environments for the NASA Space Launch System (SLS) Block 1 launch vehicle for the purposes of supporting thermal analysis and the design of thermal protection systems. The SLS Block 1 Artemis I and II launch vehicles successfully launched from Pad39B at NASA Kennedy Space Center on November 16th, 2022 and April 1st, 2026, respectively. Over 70 aerothermal islands, consisting of over 265 operational instruments captured aerodynamic heating and plume induced environments throughout the launch vehicles. Gauges consisted of calorimeters, radiometers, gas temperature probes, pressure transducers, bi-directional pressure probes and thermocouples. Prior to launch, aerothermal design environment models were generated to predict ascent aerodynamic heating and plume induced environments over a design space that covered a range of vehicle trajectories that varied atmospheric, vehicle performance, and off-nominal, engine-out conditions. Post flight reconstruction models were developed for each flight island using the Day-of-Launch (DOL) Best Equivalent Trajectory (BET) that provided freestream conditions and propulsion system boundary conditions. This paper discusses a summary of the ascent aerothermal environments observed during the flights and the respective modelling approaches and the performance of them through comparisons of flight data and predictions.

aerothermodynamics↗

DOE OSTI2025

Generative learning of densities on manifolds

A generative modeling framework is proposed that combines diffusion models and manifold learning to efficiently sample data densities on manifolds. The approach utilizes Diffusion Maps to uncover possible low-dimensional underlying (latent) spaces in the high-dimensional data (ambient) space. Two approaches for sampling from the latent data density are described. The first is a score-based diffusion model, which is trained to map a standard normal distribution to the latent data distribution using a neural network. The second one involves solving an Itô stochastic differential equation in the latent space. Additional realizations of the data are generated by lifting the samples back to the ambient space using Double Diffusion Maps , a recently introduced technique typically employed in studying dynamical system reduction; here the focus lies in sampling densities rather than system dynamics. The proposed approaches enable sampling high dimensional data densities restricted to low-dimensional, a priori unknown manifolds. The efficacy of the proposed framework is demonstrated through a benchmark problem and a material with multiscale structure.

Double diffusion maps↗

NASA NTRS2026

Impact Testing of 410 Stainless Steel for Material Impact Model Development

A project is underway to develop a consistent set of material properties, impact test data, and failure analysis for a variety of metallic aircraft materials that can be used to develop improved impact failure and deformation models. This project is jointly funded by the NASA Glenn Research Center and the Federal Aviation Administration William J. Hughes Technical Center. Particular features of this set of data are that all material property and impact test data are obtained using traceable material, the test methods and procedures are extensively documented, and all the raw data are available. Four parallel efforts are currently underway: measurement of material deformation and failure response over a wide range of strain rates and temperatures, failure analysis of material property specimens and impact test articles, development of improved numerical modeling techniques for deformation and failure, and impact testing of flat panels and substructures for model validation. This report describes impact testing performed on 410 stainless steel sheet and plate samples of different thicknesses with two different types of projectiles, one a regular cylinder and one with a more complex geometry incorporating features representative of a jet engine fan blade. Data from this testing will be used in validating material models developed under this program. The material tests and the material models developed in this program will be published in separate reports.

410 Stainless Steel↗

DOE OSTI2025

Utility Experience with Inverter Based Resource Impacts on Transmission Protection

High penetration of inverter-based resources (IBR) can adversely affect the transmission protection schemes in the area. With the proliferation of IBRs, utilities are finding out that conventional protection schemes are not adequately equipped to protect the electric systems because the existing system has been designed based on the fault current response of conventional rotating-machine-based generators. In several cases, the available literature does not provide any clear solution for the issues when the protection scheme does not operate properly near IBRs. This report identifies various protection challenges due to IBRs that industry is facing, from the utility perspective. It includes a broad review of all challenges that system protection has experienced so far with high penetration of IBRs. Key issues have been identified based on a survey of different utility protection engineers. Finally, fault event recordings are shown to demonstrate some actual cases of mis-operations of relays near IBRs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

An Overview of Electric Vehicle Load Modeling Strategies for Grid Integration Studies

The adoption of electric vehicles (EVs) has emerged as a solution to reduce greenhouse gas emissions in the transportation sector, which has motivated the implementation of public policies to promote their use in several countries. However, the high adoption of EVs poses challenges for the electricity sector, as it would imply an increase in energy demand and possible impacts on the power quality (PQ) of the power grid. Therefore, it is important to conduct EV integration studies in the power grid to determine the amount that can be incorporated without causing problems and identify the areas of the power sector that will require reinforcements. Accurate EV load patterns are required for this type of study that, through mathematical modeling, reflect both the dynamic behavior and the factors that influence the decision to recharge EVs. This article aims to present an overview of EVs, examine the different factors considered in the literature for modeling EV load patterns, and review modeling methods. EV load modeling methods are classified into deterministic, statistical, and machine learning. The article shows that each modeling method has its advantages, disadvantages, and data requirements, ranging from simple load modeling to more accurate models requiring large datasets.

Computer Science↗

DOE OSTI2026

The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4

Intrinsic antisite defects pose a major challenge to understanding and predicting the exotic properties of the layered topological magnetic insulator MnBi2Te4 (MBT). In this work, we study the origin of the abundance of intrinsic defects in MBT, including many-body defect–defect interactions and many-body electronic correlations. Until now, ab initio methods have struggled to explain thermodynamic stability and properties influenced by defect behavior in MBT. We model native Mn–Bi antisite defects in MBT at finite temperatures using a cluster expansion that includes defect–defect interactions. To overcome the limitations of conventional density functional theory (DFT), we introduce a hybrid approach that incorporates high-accuracy quantum Monte Carlo (QMC) calculations, introducing missing correlations. This strategy allows for accurate estimation of defect energetics and finite-temperature properties. We compute the configurational free energy, defect concentration, and configurational heat capacity, revealing a second-order order–disorder phase transition near the experimental synthesis temperature. Our study provides the first theoretical insight into the thermodynamics of intrinsic defects in MBT. The negative free energy relative to pristine MBT at synthesis temperatures indicates that Mn–Bi antisite formation is thermodynamically spontaneous. We also present a broadly applicable general framework for correcting low-level theoretical theories using highly accurate many-body corrections from QMC.

Ghaffar, Abdul [ORNL] (ORCID:0000000241190168)↗

DOE OSTI2025

Laser activation of single group-IV colour centres in diamond

Abstract Spin-photon interfaces based on group-IV colour centres in diamond offer a promising platform for quantum networks. A key challenge in the field is realising precise single-defect positioning and activation, which is crucial for scalable device fabrication. Here we address this problem by demonstrating a two-step fabrication method for tin vacancy (SnV − ) centres that uses site-controlled ion implantation followed by local femtosecond laser annealing with in-situ spectral monitoring. The ion implantation is performed with sub-50 nm resolution and a dosage that is controlled from hundreds of ions down to single ions per site, limited by Poissonian statistics. Using this approach, we successfully demonstrate site-selective creation and modification of single SnV − centres. Our in-situ spectral monitoring opens a window onto materials tuning at the single defect level, and provides new insight into defect structures and dynamics during the annealing process. While demonstrated for SnV − centres, this versatile approach can be readily generalised to other implanted colour centres in diamond and wide-bandgap materials.

Science & Technology - Other Topics↗

DOE OSTI2025

Modulation of thermal conductivity of iron-doped ß-Ga2O3 by helium-ion irradiation

This study examines the impact of helium-ion irradiation on the thermal conductivity of ß-Ga2O3. A laser-based spatial domain thermoreflectance technique is used to investigate thermal conductivity map for both un-irradiated and irradiated ß-Ga2O3, which are then validated against simulation results derived from density functional theory-based phonon transport simulations. Since helium bubble evolution was ob- served at the nanoscale using transmission electron microscopy, the simulation study was carried out on eight distinct helium-induced sites in ß-Ga2O3. Our findings indicate a reduction in thermal conductivity for the irradiated samples. Experimental results show a significant reduction in thermal conductivity in irradiated samples, with de- creases of approximately 25% along the [100] direction and 40% along [001] directions. Phonon transport simulations closely replicate these findings, particularly when helium occupying interstitial sites, predicting reductions of ˜53% along [100] and ˜50% along [001] directions. This work underscores the role of irradiation-induced microstructural changes in the heat transport properties of ß-Ga2O3 which is crucial for its application in sensor devices in extreme environments.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

AL-CRADA-2025-01 Final Report: American-Made Wind Turbine Materials Recycling Prize Accelerate! Phase 2

This report summarizes the Phase 2 achievements of the Wind Turbine Materials Recycling Prize project led by Critical Materials Recycling (CMR) in partnership with Ames National Laboratory. The team demonstrated the technical feasibility and economic viability of recovering and reusing rare-earth Nd-Fe-B magnets from end-of-life (EOL) wind turbine generators. Through mechanical disassembly, demagnetization, and precision processing, magnets were harvested and characterized to assess structural, compositional, and magnetic properties. Results showed that recovered magnets performed on par with commercial-grade counterparts, enabling their integration into actuator and motor prototypes without redesign. System-level modeling and finite-element simulations validated operational performance, while Life Cycle Cost (LCC) analysis revealed up to 20% material cost savings and 2–3% reductions in overall motor system costs. Life Cycle Assessment (LCA) further confirmed substantial environmental benefits, including a ~94% reduction in global warming potential relative to virgin magnet production. The project’s success was enabled by a tightly integrated partnership between industry and national lab experts, illustrating a viable path for domestic magnet-to-magnet recycling. These findings support a scalable, circular solution for rare-earth material recovery, reducing dependence on imported critical minerals and advancing sustainable clean energy technologies.

Lograsso, Thomas [Ames Laboratory (AMES), Ames, IA↗

NASA NTRSDate not supplied

Strong Thermoset Regolith UV-Curable Composite Technology (STRUCT) Overview

Future lunar surface missions require construction materials that can be manufactured in situ using lo-cal resources while operating under extreme environmental conditions. Many Lunar material demands can be solved solely with regolith by compacting or sintering. And yet past Lunar missions rely on polymeric materials, and sustained Lunar missions must reduce Earth-supplied polymers dependence. Dual-cure (Ultraviolet (UV) and thermal) polymer-regolith composites offer a promising pathway by leveraging solar UV radiation, moderate thermal in-put, and regolith. Mission mass limits, power availability and energy constraints on the lunar surface further motivate low-energy processing and curing strategies for surface construction materials. The Strong Thermoset Regolith UV-Curable Composite Technology (STRUCT) project has successfully synthesized and demonstrated dual-cure photopolymer resins derivable from in-situ resources [3]. Morphological, thermal, and mechanical characterization show that the newly formulated UV curable resin systems integrates well with lunar regolith simulants. Processing and chemistry changes, and computational analysis advanced the composite design. X-ray CT scanned and computational analysis demonstrate that resin, regolith and additives are well incorporated. The large fraction of regolith, 95% by mass, large char yield (82% mass), low thermal conductivity (0.26 W/m/K), confirm this material as a promising high-performance thermal and structural material.

thermal conductivity↗

DOE OSTI2026

Defect-induced displacement of topological surface state in quantum magnet MnBi2Te4

The topological magnet MnBi2⁢Te4 (MBT), with gapped topological surface state, is an attractive platform for realizing quantum anomalous Hall and axion insulator states. However, the experimentally observed surface state gaps fail to meet theoretical predictions, although the exact mechanism behind the gap suppression has been debated. Recent theoretical studies suggest that intrinsic antisite defects push the topological surface state away from the MBT surface, closing its gap and making it less accessible to scanning probe experiments. Here, we report on the local effect of defects on the MBT surface states and demonstrate that high defect concentrations lead to a displacement of the surface states well into the MBT crystal, validating the theorized mechanism. The local and global influence of antisite defects on the topological surface states are studied with samples of varying defect densities by combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and density functional theory. Our findings identify a combination of increased defect density and reduced defect spacing as the primary factors underlying the displacement of the surface states and suppression of surface gap, guiding further development of topological quantum materials.

Lupke, Felix [Carnegie Mellon University (CMU)]↗

NASA NTRS1985

A Comparison of Doppler Lidar Wind Sensors for Earth-Orbit Global Measurement Applications

Now, there are four Doppler lidar configurations which are being promoted for the measurement of tropospheric winds: (1) the coherent CO2 Lidar, operating in the 9 micrometer region using a pulsed, atmospheric pressure CO2 gas discharge laser transmitter, and heterodyne detection; (2) the coherent Neodymium doped YAG or Glass Lidar, operating at 1.06 micrometers, using flashlamp or diode laser optical pumping of the solid state laser medium, and heterodyne detection; (3) the Neodymium doped YAG/Glass Lidar, operating at the doubled frequency (at 530 nm wavelength), again using flashlamp or diode laser pumping of the laser transmitter, and using a high resolution tandem Fabry-Perot filter and direct detection; and (4) the Raman shifted Xenon Chloride Lidar, operating at 350 nm wavelength, using a pulsed, atmospheric pressure XeCl gas discharge laser transmitter at 308 nm, Raman shifted in a high pressure hydrogen cell to 350 nm in order to avoid strong stratospheric ozone absorption, also using a high resolution tandem Fabry-Perot filter and direct detection. Comparisons of these four systems can include many factors and tradeoffs. The major portion of this comparison is devoted to efficiency. Efficiency comparisons are made by estimating the number of transmitted photons required for a single pulse wind velocity estimate of + or - 1 m/s accuracy in the middle troposphere, from an altitude of 800 km, which is assured to be reasonable for a polar orbiting platform.

Robert T Menzies↗

DOE OSTI2025

A rigorous framework for an improved Messinger/Myers model of ice accretion under conditions of variable property and unsteady aircraft icing

We analyse the Messinger/Myers model by critically evaluating simplifying assumptions through a rigorous formulation of the rime ice accretion process. We explore the effects of both constant and variable ice density and thermal conductivity, along with the effects of sublimation from the ice surface. The effects of key factors such as droplet impact rate, ambient temperature relative to the freezing temperature and the temperature difference between the ambient air and the airfoil surface are examined. Under these varying conditions, the present rigorous formulation is used to assess the significance of unsteady effects, variable ice properties and sublimation. We observe that the Myers model performs remarkably well in certain icing situations and analyse the reasons for this strong performance. We also show that partially relaxing the model’s assumptions can lead to poorer performance. The Myers model can lead to overprediction of ice surface temperature and correspondingly underprediction of transition time under conditions of relatively weak sublimation and surface cooling. A modified Myers model is presented, which can be used to recover near-perfect results under widely varying icing conditions of relevance. This article is part of the theme issue ‘Heat and mass transfer in frost and ice’.

Science & Technology - Other Topics↗

NASA NTRSDate not supplied

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This paper describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

electrified aircraft propulsion↗

NASA NTRSDate not supplied

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This presentation describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

electrified aircraft propulsion↗

NASA NTRS2026

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

Electrified powertrain↗