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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Associative polymers with controlled sticker placement: How reversible bond distribution and density govern polymer dynamics

Associative polymers with precisely arranged stickers offer opportunities to program material properties with molecular precision. Yet, it remains unclear how the placement and fraction of stickers dictate structure, dynamics, and macroscopic properties. By developing a model unentangled polymer system with hydrogen-bonding stickers, we show that randomly distributed stickers neither form clusters nor change flow properties, whereas stickers placed at chain ends drive nanocluster formation even at low concentrations. Adding more end stickers produces a rubbery plateau spanning eight decades in frequency with two distinct relaxation timescales, in contrast to the single plateau predicted by the classic sticky Rouse model. These results demonstrate that sticker distribution dictates whether associative polymers undergo nanocluster formation or microphase separation, while substantial alterations in dynamics and viscoelasticity require both sticker aggregation and thermomechanical stability of associated domains. Our findings resolve a longstanding debate on associative polymer dynamics and provide molecular design rules for programmable soft materials.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Optical properties of morphologically complex black carbon aerosols: Effects of coatings

Optical properties are computed for fractal-like aggregate black carbon (BC) aerosols coated with different substances. Two models are used for these aerosols: (i) the coated aggregate model (model I), where coating is added to the voids and surroundings of BC fractal-like aggregates; and (ii) the closed-cell aggregate model (model II), where coating is added concentrically to each monomer of BC fractal-like aggregates. Our results favor choosing the coated aggregate model (model I) to simulate scattering and absorption by coated BC aerosols because this model is morphologically more realistic, and because this model yields mass absorption cross section (MAC) and backscattering linear depolarization ratio (LDR) values that are consistent with field measurements. Moreover the corresponding computed degree of linear polarization (DoLP) and LDR values are very sensitive to changes in the coating volume fraction (fvol) and the coating refractive index (m). With the same absorbing BC core, the MAC value increases steadily with increasing fvol and m values. For example, using a density of 1.8 g/cm 3 and BC refractive index 1.95 + i0.79, the calculated MAC values for uncoated BC aggregates range from 6.2 to 6.8 m 2 /g at 0.55 µm. When coating material is applied to the BC aggregates, the calculated MAC values for model I particles increase to between 9.8 and 13.2 m 2 /g (depending on m) when fvol = 87.5%. The backscattering LDR values also tend to increase with the increasing m values for the shapes and sizes considered in our study. For model I particles, the backscattering LDR values span a wide range of 4.2–27.8% at a wavelength of 0.35 µm at fvol = 87.5% when m increases from 1.33 to 1.55. Our results are relevant to analyses of polarimetric and lidar observations of smoke particles, especially when these particles undergo hygroscopic growth.

Black carbon aerosols↗
NASA NTRS2012

Spacecraft Conceptual Design for Returning Entire Near-Earth Asteroids

In situ resource utilization (ISRU) in general, and asteroid mining in particular are ideas that have been around for a long time, and for good reason. It is clear that ultimately human exploration beyond low-Earth orbit will have to utilize the material resources available in space. Historically, the lack of sufficiently capable in-space transportation has been one of the key impediments to the harvesting of near-Earth asteroid resources. With the advent of high-power (or order 40 kW) solar electric propulsion systems, that impediment is being removed. High-power solar electric propulsion (SEP) would be enabling for the exploitation of asteroid resources. The design of a 40-kW end-of-life SEP system is presented that could rendezvous with, capture, and subsequently transport a 1,000-metric-ton near-Earth asteroid back to cislunar space. The conceptual spacecraft design was developed by the Collaborative Modeling for Parametric Assessment of Space Systems (COMPASS) team at the Glenn Research Center in collaboration with the Keck Institute for Space Studies (KISS) team assembled to investigate the feasibility of an asteroid retrieval mission. Returning such an object to cislunar space would enable astronaut crews to inspect, sample, dissect, and ultimately determine how to extract the desired materials from the asteroid. This process could jump-start the entire ISRU industry.

solar electric propulsion↗
DOE OSTI2026

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas↗
DOE OSTI2026

Experimental observation and integrated modelling of proton-beryllium fusion in He and D plasmas at JET

Validated integrated modelling of JET ITER-like wall experiments in which fusion performance is driven by reactions between fast ions and intrinsically present metal wall impurities is presented. A steady-state L-mode plasma with dominant proton-beryllium fusion and neutron yields of up to ≈ 6·10 13 s -1 is developed in He and D, via radiofrequency heating of a H minority. The fusion drive is unambiguously confirmed by the neutral particle analyser, fast ion loss detector, and γ-ray diagnostics. Experiments are analysed via an integrated modelling framework, developed to model the two-stage proton beryllium-fusion chain and produce high-fidelity fusion product source terms. The modelling chain comprises TRANSP and JETTO for plasma core modelling, LOCUST for full orbit product tracking and collisional slowing-down, DRESS to resolve two- and three-body fusion kinematics, and MCNP for neutron transport calculations. Modelling shows that the primary 9 Be(p,n) 9 B reaction is the dominant neutron emitter at naturally present concentrations of beryllium in these experiments. The yield contribution of secondary reactions between fusion products and beryllium, 9 Be(d,n) 10 B and 9 Be(α,n) 12 C, is found to be negligible. The proton-deuteron knock-on effect in D plasmas is modelled, which is calculated to contribute ≈ 25% to the total neutron yield. For both He and D discharges the total computed neutron rates match fission chamber (FC) measurements within the combined experimental and computational uncertainty, with an average discrepancy of ≈ ± 20%. Realistic proton-beryllium neutron sources are propagated through JET’s MCNP neutron transport model which shows that 235 U FCs’ response is sensitive to p–Be source changes, with up to ≈ 10% variation compared to a D–D neutron source. We show that the high-energy tail of the fast proton minority can be studied with multi-foil neutron activation. The framework is also applied to the study of interactions between fast protons and boron impurities, of relevance to ITER. We calculate that in JET conditions a significant alpha source with DT-like energies could be generated through 11 B(p, α)2α fusion, and detected via γ-emission in secondary interactions between fast alphas and boron. The work represents an important step towards validating predictive integrated modelling capabilities for non-standard fusion reactions.

JET↗
DOE OSTI2026

SOLPS-ITER modeling of a dedicated divertor for negative triangularity operation on DIII-D

The design of a new dedicated divertor for negative triangularity (NT) operation on DIII-D with neutral baffles and pumping is informed by SOLPS-ITER transport modeling. This dedicated NT divertor is the latest step in a progression of NT shapes with various divertor characteristics explored on DIII-D, including NT shapes at reduced triangularity and a campaign with stronger shaping that included new armored components on the outboard side. SOLPS simulations played a key role in these divertor designs. Interpretive simulations, using cross-field diffusivities constrained by experimental data in the NT Shelf shape were used to inform the design of the 2023 armor campaign components. A similar procedure used armor campaign data to predict conditions for the dedicated NT divertor. The predictive simulations were used to assess the divertor fluxes, detachment threshold, pumped flux, and neutral leakage. For the dedicated NT divertor, SOLPS simulations and two-point-modeling were used to show the relative impact of magnetic topology (mainly longer connection length) and divertor closure on the divertor conditions relative to the armor campaign. It is predicted that the dedicated NT divertor reaches detachment (measured by target ion flux rollover) at a lower upstream density (≈(1.75−−2.4)×1⁢019m−3) as compared to the armor campaign shape. For the preliminary design geometry, divertor closure reduces the neutral leakage by ≈10%. Parametric optimization indicating further ≈20%–60% improvement in the leakage flux and recycled flux crossing the pump entrance is possible for relatively minor changes to the divertor and baffle layout.

Lore, Jeremy [ORNL] (ORCID:000000029192465X)↗
NASA NTRS2026

Isotopic Evidence for A Cold and Distant Origin of 3I/Atlas

Interstellar objects provide the only directly observable samples of icy planetesimals formed around other stars, and can therefore provide insight into the diversity of physical and chemical conditions occurring during exoplanet formation1−3. Here we report isotopic measurements of the interstellar comet 3I/ATLAS, which reveal an elemental composition unlike any Solar System body. The water in 3I/ATLAS is enriched in deuterium, at a level of D/H = (0.98 ± 0.06)%, which is more than an order of magnitude higher than in known comets, while its range of 12 C/ 13 C ratios (141–191 for CO 2 and 123–172 for CO) exceeds typical values found in the Solar System, as well as nearby interstellar clouds and protoplanetary disks. Such extreme isotopic signatures indicate formation at temperatures ≲ 30 K in a relatively metal-poor environment. When interpreted with respect to models for Galactic chemical evolution, the carbon isotopic composition implies that 3I/ATLAS may have accreted as long ago as 12 billion years, following a period of intense, early star formation. 3I/ATLAS thus represents a preserved fragment of an ancient planetary system.

Martin A Cordiner↗
DOE OSTI2023

The brighter-fatter effect in the JWST MIRI Si:As IBC detectors: I. Observations, impact on science, and modeling

Context.The Mid-Infrared Instrument (MIRI) on board theJames WebbSpace Telescope (JWST) uses three Si:As impurity band conduction (IBC) detector arrays. The output voltage level of each MIRI detector pixel is digitally recorded by sampling up the ramp. For uniform or low-contrast illumination, the pixel ramps become nonlinear in a predictable way, but in areas of high contrast, the nonlinearity curve becomes much more complex. The origin of the effect is poorly understood and currently not calibrated out of the data. Aims.We provide observational evidence of the brighter-fatter effect (BFE) in MIRI conventional and high-contrast coronagraphic imaging, low-resolution spectroscopy, and medium-resolution spectroscopy data, and we investigate the physical mechanism that gives rise to the effect on the MIRI detector pixel raw voltage integration ramps. Methods.We used public data from the JWST/MIRI commissioning and Cycle 1 phase. We also developed a numerical electrostatic model of the MIRI detectors using a modified version of the publicPoisson_CCDcode. Results.We find that the physical mechanism behind the BFE manifesting in MIRI data is fundamentally different to that of charge-coupled devices and photodiode arrays such as the Hawaii-XRG near-infrared detectors used by the NIRISS, NIRCam, and NIRSpec instruments on board JWST. Observationally, the BFE makes the JWST MIRI data yield 10–25% larger point sources and spectral line profiles as a function of the relative level of de-biasing of neighboring detector pixels. This broadening impacts the MIRI absolute flux calibration, time-series observations of faint companions, and point spread function modeling and subtraction. We also find that the intra-pixel 2D profile of the shrinking Si:As IBC detector depletion region directly impacts the accuracy of the pixel ramp nonlinearity calibration model.

Astronomy & Astrophysics↗
DOE OSTI2025

Quantum graph models for transport in filamentary switching

The formation of metallic nanofilaments bridging two electrodes across an insulator is a mechanism for resistive switching. Examples of such phenomena include atomic synapses, which constitute a distinct class of memristive devices the behavior of which is closely tied to the properties of the filament. Until recently, experimental investigation of the low-temperature regime and quantum transport effects has been limited. However, with growing interest in understanding the true impacts of the filament on device conductance, comprehending quantum effects has become crucial for quantum neuromorphic hardware. Here, we discuss quantum transport resulting from filamentary switching in a narrow region where the continuous approximation of the contact is not valid, and only a few atoms are involved. In this scenario, the filament can be represented by a graph depicting the adjacency of atoms and the overlap between atomic orbitals. Using the theory of quantum graphs with locally diffusive node scattering, we calculate the scattering amplitude of charge carriers on this graph and explore the interplay between filamentary formation and quantum transport effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Microscopy modality transfer of steel microstructures: Inferring scanning electron micrographs from optical microscopy using generative AI

Scanning electron microscopy (SEM) is resource intensive, which limits its throughput in some applications. As an alternative, we propose applying computer vision and machine learning to generate high-quality synthetic SEM micrographs from micrographs obtained using light optical microscopy (LOM). Working with a correlated LOM/SEM dataset of dual-phase steel images, we test generative models of various architectures, including encoder-decoder networks, generative adversarial networks (GANs), and diffusion-based models. We find that the diffusion models significantly outperform other methods on both qualitative and quantitative assessments, while preserving key metallurgical meaning. This work establishes diffusion as the state-of-the-art for microscopy modality transfer and demonstrates the potential of AI-powered microscopy to enhance LOM with micron scale structural recreation.

Computer vision↗
DOE OSTI2023

Correlating Impacts of Injected Fuels on Carbon Emissions in Blast Furnace with Computational Fluid Dynamics Modeling

A major challenge for steelmaking is the reduction of CO 2 emissions. In this regard, the blast furnace (BF) is critical due to the high associated CO 2 levels. This investigation assesses the impact of tuyere‐injected fuels on BF CO 2 emissions. Specifically, computational fluid dynamics results obtained previously at Purdue University Northwest are analyzed to obtain CO 2 emissions when natural gas (NG), syngas, hydrogen, or hydrogen/NG are injected. CO 2 emissions are compared with those produced when 95 kg of NG/thm is injected. Among these scenarios, the largest CO 2 reduction occurs when 102 kg of syngas/thm (COG feedstock #1) is injected at 973 K, reducing CO 2 by 190.6 kg thm −1 . The largest CO 2 reduction obtained with NG occurs when 130 kg thm −1 is injected at 600 K, reducing emissions by 65 kg thm −1 . H 2 injection also reduces CO 2 , but requires careful adjusting to reach stable operation. For instance, injecting 35 kg of H 2 /thm reduces CO 2 by 52 kg thm −1 . Increasing gaseous injection rates can significantly reduce CO 2 emissions, with fuel preheating providing an addendum, but high injection rates can lead to unstable operation. Furthermore, results show a correlation between CO 2 emissions and average temperature of shaft region for multiple fuels and injection conditions.

Metallurgy & Metallurgical Engineering↗
DOE OSTI2026

Time-dependent scenario modeling for the ST-E1 fusion power plant

ST-E1 is a low aspect ratio fusion power plant being designed by Tokamak Energy targeting 1.5 GW of fusion power. Characterization of the ST-E1 flat-top scenario is described elsewhere McNamara et al (2026 Nucl. Fusion 66 086008); here we focus on addressing the question of how to ramp-up the ST-E1 plasma from an initial state following breakdown and flux-surface formation to the target flat-top state. Being low-aspect ratio, the available solenoid flux of ST-E1 is limited. Therefore, particular consideration is placed on developing ramp-up scenarios that predominantly use inductive flux provided by external vertical field coils. Through time-dependent modeling with METIS, we show that this is possible when the ramp-up is performed at relatively high plasma density: although auxiliary current drive efficiency is reduced, this is significantly outweighed by (1) higher electron-ion collisional equilibration, (2) higher fusion power once ions become sufficiently hot, (3) higher poloidal beta for increased vertical-field flux, and (4) potentially favorable exhaust compatibilities. Ultimately, we show the target ST-E1 flat-top performance can be reached after a ramp-up period lasting 150 s using less than 40 Vs of solenoid flux (with vertical field providing ∼ 90 Vs of flux). The sensitivity to model assumptions are presented, with the general observation that deleterious effects can be mitigated through minor alterations of the auxiliary power temporal waveform and/or total auxiliary power level. The impact of a solenoid and the auxiliary power mix (electron cyclotron heating only versus electron and ion cyclotron heating) on the ST-E1 ramp-up success are also discussed in appendices. On this latter topic, we show that the effect of direct-ion heating during ramp-up is obscured by the uncertainty in the pedestal dynamics, identifying a clear line of future work required to make a definite decision on the ST-E1 auxiliary power mix.

current ramp-up↗
DOE OSTI2026

Design of monolithic piezoelectric bimorph mirrors made from lithium niobate

Recent advances in deformable mirrors based on monolithic piezoelectric substrates, such as lithium niobate, have the potential to improve the image quality of X-ray optical systems on synchrotron and free-electron laser beamlines and microscopes. However, the quantitative relationship between design parameters and the deformed shape has not been readily available in the literature. We present an analytical model, validated through finite element analysis, enabling calculation of tangential and sagittal curvatures based on mirror dimensions, crystallographic orientation, and applied voltage. We demonstrate that through the selection of material orientation, it is possible to achieve different deformed shapes (sphere, cylinder, or hyperbolic paraboloid). This methodology can be generalized to other piezoelectric materials and substrate-integrated actuator systems.

Marzari, Francesco [University of Trento (Italy); ↗
DOE OSTI2026

India Power Sector Reliability Analysis [Slides]

The objective of the study is to assess pathways for India to achieve its 2070 power sector goals reliably and cost-effectively by considering various supply- and demand-side factors to support planning by national stakeholders including the Central Electricity Authority (CEA).

08 HYDROGEN↗
NASA NTRSDate not supplied

SR-1 Freedom Thermal Architecture Challenges

The SR-1 Freedom mission aims to demonstrate nuclear electric propulsion (NEP) and deliver the Skyfall helicopter payload to Mars. Repurposing the existing Gateway Power and Propulsion Element (PPE) spacecraft and combining it with a 20 kWe-class nuclear power module (NPM) presents a variety of thermal architecture challenges. These include unprecedented waste heat rejection requirements, integration with a spacecraft bus originally designed for a different mission profile, and novel packaging constraints. This presentation will describe the simplified concept of operations as it relates to on-orbit thermal environments, early-phase architecture trades and supporting analyses, and planned forward work. We will also discuss our strategy for integrated thermal modeling of the complete spacecraft and examples of interface challenges necessitated by this ambitious effort.

Thermal↗
DOE OSTI2025

Egg yolk as a model for gelation: From rheometry to flow physics

Egg yolks are an excellent model for studying sol-gel transitions, particularly the power law viscoelasticity that defines the critical point of gelation. However, prior studies lack comprehensive datasets and fail to visualize flow behavior linked to temperature and time-dependent linear and nonlinear rheology. Here, we present a detailed dataset characterizing egg yolk viscoelasticity across temperature, time, and forcing amplitude using oscillatory shear, step strain, step stress, and constant high strain rate. Novel protorheology visualizations link rheological properties with observable flow behavior. Our findings highlight the nuanced determination of the critical gel point, emphasizing observation timescale dependencies. We compare methods to identify critical temperatures for gelation, including power law viscoelasticity, moduli crossover, diverging zero-shear viscosity, and emerging equilibrium elastic modulus, while visualizing flow consequences near these transitions. Egg yolk is an accessible, realistic, and nontoxic material relevant to the physicist and the chef alike, making it ideal for understanding the rheology of critical gels. By integrating protorheology photos and videos with rigorous rheometric data, we deepen the understanding of critical gels, with broader impacts for studying other materials with sol-gel transitions.

Marsh, Maxwell C. [Department of Mechanical Scienc↗
DOE OSTI2025

A molecular conveyor belt-associated protein controls the rotational direction of the bacterial type 9 secretion system

ABSTRACT Many bacteria utilize the type 9 secretion system (T9SS) for gliding motility, surface colonization, and pathogenesis. This dual-function motor supports both gliding motility and protein secretion, where rotation of the T9SS plays a central role. Fueled by the energy of the stored proton motive force and transmitted through the torque of membrane-anchored stator units, the rotary T9SS propels an adhesin-coated conveyor belt along the bacterial outer membrane like a molecular snowmobile, thereby enabling gliding motion. However, the mechanisms controlling the rotational direction and gliding motility of T9SS remain elusive. Shedding light on this mechanism, we find that in the gliding bacteriumFlavobacterium johnsoniae, deletion of the C-terminus of the conveyor belt-associated protein GldJ controls and, in fact, reverses the rotational direction of T9SS from counterclockwise (CCW) to clockwise (CW). This suggests that the interface between the conveyor belt-associated protein GldJ and the T9SS ring protein GldK plays an important role in controlling the directionality of T9SS, potentially by modulating its interaction with the stator complex GldLM, which drives motor rotation. Combined with MD simulation of the T9SS stator units GldLM, we suggest a “tri-component gearset” model where GldJ controls the rotational direction of its driver, the T9SS, thus providing adaptive sensory feedback to influence the motility of the gliding bacterium. IMPORTANCE The type 9 secretion system (T9SS) is fundamental to bacterial gliding motility, pathogenesis, and surface colonization. Our findings reveal that the C-terminal region of the conveyor belt-associated protein GldJ functions as a molecular switch which is capable of reversing the rotational direction of T9SS. Through the coordinated actions of the T9SS stator units (akin to a driving motor), the GldK ring (the gear that converts rotational energy into linear movement), and GldJ, this machinery forms a smart conveyor belt system reminiscent of flexible or cognitive mechanical conveyors. Such advanced conveyors can alter their direction to adapt to shifting demands. Here, we show that the bacterial T9SS similarly adjusts its rotational bias based on feedback from the conveyor belt-associated protein GldJ. This dual-role feedback mechanism underscores an evolved, controllable biological snowmobile, offering new avenues for studying how bacteria fine-tune motility in dynamic environments.

Microbiology↗
DOE OSTI2026

String-Breaking Dynamics in Quantum Adiabatic and Diabatic Processes

Confinement prohibits isolation of color charges, e.g., quarks, in nature via a process called string breaking : the separation of two charges results in an increase in the energy of a color flux, visualized as a string, connecting those charges. Eventually, creating additional charges is energetically favored, hence breaking the string. Such a phenomenon can be probed in simpler models, including quantum spin chains, enabling enhanced understanding of string-breaking dynamics. A challenging task is to understand how string breaking occurs as time elapses, in an out-of-equilibrium setting. This work establishes the phenomenology of dynamical string breaking induced by a gradual increase of string tension over time. It, thus, goes beyond instantaneous quench processes and enables tracking the real-time evolution of strings in a more controlled setting. We focus on domain-wall confinement in a family of quantum Ising chains. Our results indicate that, for sufficiently short strings and slow evolution, string breaking can be described by the transition dynamics of a two-state quantum system akin to a Landau-Zener process. For longer strings, a more intricate spatiotemporal pattern emerges: the string breaks by forming a superposition of bubbles (domains of flipped spins of varying sizes), which involve highly excited states. We finally demonstrate that string breaking driven only by quantum fluctuations can be realized in the presence of sufficiently long-ranged interactions. This work holds immediate relevance for studying string breaking in quantum-simulation experiments.

Ising model↗