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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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At least 109 records · Page 6

Magnetically dependent photovoltages in permalloy films and gratings

Significant photoinduced voltages observed in permalloy structures consist of two contributions with different origins, which depend on illumination conditions, structure geometry and magnetic field in distinct ways. The first component is the plasmon drag effect voltage closely associated with plasmon propagation. The second contribution is magnetically dependent and can be related to photoinduced gradients in the sample temperature and spin polarization. Possible mechanisms of the effect are discussed

36 MATERIALS SCIENCE↗

Facet-dependent structure and dissociation of water at pristine IrO 2 /water interfaces

Understanding the microscopic structure of water at metal oxide interfaces is crucial for advancing electrocatalysis. IrO 2 , specifically, has shown exceptional activity for electrochemical water oxidation, but we currently lack a fundamental understanding of how the surface structure of IrO 2 impacts water reactivity. In this work, we developed a machine learning potential trained to first-principles accuracy for modeling IrO 2 /water interfaces across different facets: (110), (100), (101), and (001). Using extensive machine learning molecular dynamics simulations, we investigated the spontaneous dissociation of water molecules at these interfaces. Our results reveal a distinct dissociation probability trend: (110) > (100) ≈ (101) > (001), which we attribute primarily to the reaction thermodynamics of surface water dissociation. A strong correlation is observed between the surface Ir–O bond distances and the dissociation probabilities, highlighting the role of surface geometry in modulating reactivity. As a consequence, the interfacial solvation structures and hydrogen bonding environments are dynamically tuned by the varying water dissociation capabilities across facets. This work elucidates how water dissociation energetics depend on surface orientation and interfacial structure, offering atomistic insights into manipulating reaction chemistry at electrocatalytic interfaces.

organic↗

Spontaneous emergence of straintronics effects and striped stacking domains in untwisted three-layer epitaxial graphene

Emergent electronic phenomena, from superconductivity to ferroelectricity, magnetism, and correlated many-body band gaps, have been observed in domains created by stacking and twisting atomic layers of Van der Waals materials. In graphene, emergent properties have been observed in ABC stacking domains obtained by exfoliation followed by expert mechanical twisting and alignment with the desired orientation, a process very challenging and nonscalable. Here, conductive atomic force microscopy shows in untwisted epitaxial graphene grown on SiC the surprising presence of striped domains with dissimilar conductance, a contrast that demonstrates the presence of ABA and ABC domains since it matches exactly the conductivity difference observed in ABA/ABC domains in twisted exfoliated graphene and calculated by density functional theory. The size and geometry of the stacking domains depend on the interplay between strain, solitons crossing, and shape of the three-layer regions. Interestingly, we demonstrate the growth of three-layer regions in which the ABA/ABC stacking domains self-organize in stable stripes of a few tens of nanometers. The growth-controlled production of isolated and stripe-shaped ABA/ABC domains open the path to fabricate quantum devices on these domains. These findings on self-assembly formation of ABA/ABC epitaxial graphene stripes on SiC without the need of time-consuming and nonscalable graphene exfoliation, alignment, and twisting provide different potential applications of graphene in electronic devices.

Rejhon, Martin (ORCID:000000017775487X)↗

Shear Band Formation in Thin-Film Multilayer Columns Under Compressive Loading: A Mechanistic Study

Micro-pillar compression is a popular experimental technique used for characterizing the mechanical behavior of nano- and micro-laminates. The compressive stress–strain response of the column-shaped thin-film composite can be measured, and the deformation and damage features can be revealed by post-test cross-section microscopy. The development of plastic instability in the form of localized strain concentration (shear bands), leading to eventual failure, is frequently observed. In the present study, a computational approach is used to illustrate the commonality of shear band formation from a continuum standpoint. Systematic finite element analyses are conducted, showing that the strain field tends to become localized once plastic yielding commences. Distinct shear offsets of the layered structure can be revealed from the numerical model, which is similar to those observed in experiments. The actual appearance of shear bands depends on the materials’ constitutive behavior and precise geometries. Post-yield strain hardening reduces the propensity of shear band formation, while strain softening enhances it. Imperfections such as the undulated layer geometry, as well as the frictional characteristics between the specimen and test apparatus, can also influence the shear band morphology and overall stress–strain response.

finite element modeling↗

Time-Domain Extreme-Ultraviolet Diffuse Scattering Spectroscopy of Nanoscale Surface Phonons

Here, we report the observation of dynamic fringe patterns in the diffuse scattering of extreme ultraviolet light from surfaces, following femtosecond optical excitation. At each point on the detector, the diffuse scattering intensity exhibits oscillations at well-defined frequencies that correspond to surface phonons with wave vectors determined by the scattering geometry, indicating that the optical excitation generates coherent surface phonons propagating in all directions and spanning a wavelength range from 60 to 300 nm. This phenomenon is observed on a variety of samples, including single-layer and multilayer metal films, as well as bulk semiconductors. The measured surface phonon dispersions show good agreement with theoretical calculations. By comparing signal amplitudes from samples with different surface morphologies, we find that the excitation mechanism is linked to the natural surface roughness of the samples. However, the signal is still detectable on extremely smooth surfaces with subnanometer roughness. Our findings demonstrate a simple and effective method for optically exciting coherent surface phonons with nanoscale wavelengths on a wide range of solid samples and establish a foundation for surface phonon spectroscopy in a wave vector range well beyond the limit of conventional surface Brillouin scattering.

Capotondi, F. [Elettra-Sincrotrone Trieste (Italy)↗

Mining experimental magnetized liner inertial fusion data: Trends in stagnation morphology

In magnetized liner inertial fusion (MagLIF), a cylindrical liner filled with fusion fuel is imploded with the goal of producing a one-dimensional plasma column at thermonuclear conditions. However, structures attributed to three-dimensional effects are observed in self-emission x-ray images. Despite this, the impact of many experimental inputs on the column morphology has not been characterized. We demonstrate the use of a linear regression analysis to explore correlations between morphology and a wide variety of experimental inputs across 57 MagLIF experiments. Results indicate the possibility of several unexplored effects. For example, we demonstrate that increasing the initial magnetic field correlates with improved stability. Although intuitively expected, this has never been quantitatively assessed in integrated MagLIF experiments. We also demonstrate that azimuthal drive asymmetries resulting from the geometry of the “current return can” appear to measurably impact the morphology. In conjunction with several counterintuitive null results, we expect the observed correlations will encourage further experimental, theoretical, and simulation-based studies. Finally, we note that the method used in this work is general and may be applied to explore not only correlations between input conditions and morphology but also with other experimentally measured quantities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Advances in understanding vacuum break dynamics in liquid helium-cooled tubes for accelerator beamline applications

Understanding air propagation and condensation following a catastrophic vacuum break in particle accelerator beamlines cooled by liquid helium is essential for ensuring operational safety. This review summarizes experimental and theoretical work conducted in our cryogenics lab to address this issue. Systematic measurements were performed to study nitrogen gas propagation in uniform copper tubes cooled by both normal liquid helium (He I) and superfluid helium (He II). These experiments revealed a nearly exponential deceleration of the gas front, with stronger deceleration observed in He II-cooled tubes. To interpret these results, a one-dimensional (1D) theoretical model was developed, incorporating gas dynamics, heat transfer, and condensation mechanisms. The model successfully reproduced key experimental observations in the uniform tube system. However, recent experiments involving a bulky copper cavity designed to mimic the geometry of a superconducting radiofrequency (SRF) cavity revealed strong anisotropic flow patterns of nitrogen gas within the cavity, highlighting limitations in extrapolating results from simplified tube geometries to real accelerator beamlines. To address these complexities, we outline plans for systematic studies using tubes with multiple bulky cavities and the development of a two-dimensional (2D) model to simulate gas dynamics in these more intricate configurations. As a result, these efforts aim to provide a comprehensive understanding of vacuum breaks in particle accelerators and improve predictive capabilities for their operational safety.

Beamline tube↗

Atomic-scale 3D structural dynamics and functional degradation of Pt alloy nanocatalysts during the oxygen reduction reaction

Pt-based electrocatalysts are the primary choice for fuel cells due to their superior oxygen reduction reaction (ORR) activity. To enhance ORR performance and durability, extensive studies have investigated transition metal alloying, doping, and shape control to optimize the three key governing factors for ORR: geometry, local chemistry, and strain of their surface and subsurface. However, systematic optimization remains incomplete, as it requires an atomic-scale understanding of these factors and their dynamics over potential cycling, as well as their relationship to ORR activity. Here, we implement neural network-assisted atomic electron tomography to measure the 3D atomic structural dynamics and their effects on the functional degradation of PtNi alloy catalysts. Our results reveal that PtNi catalysts undergo shape changes, surface alloying, and strain relaxation during cycling, which can be effectively mitigated by Ga doping. By combining geometry, local chemistry, and strain analysis, we calculated the changes in ORR activity over thousands of cycles and observed that Ga doping leads to higher initial activity and greater stability. These findings offer a pathway to understanding 3D atomic structural dynamics and their relation to ORR activity during cycling, paving the way for the systematic design of durable, high-efficiency nanocatalysts.

Jeong, Chaehwa↗

Analysis of RF Sheath-Driven Tungsten Erosion at RF Antenna in the WEST Tokamak

This study applies the newly developed STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to analyze tungsten (W) erosion at RF antenna structures in the WEST tokamak. STRIPE integrates SolEdge3x for edge plasma backgrounds, COMSOL for 3D RF sheath potentials, RustBCA for sputtering yields, and GITR for impurity transport and ion energy–angle distributions. Building on prior work by Kumar et al. (2025) Nuclear Fusion, 65, 076039, which validated STRIPE for WEST ICRH discharge #57877, the present study provides a spatially resolved assessment of gross W erosion at both Q2 antenna limiters under ohmic and ICRH conditions. Simulations using 2D SolEdge3x profiles in COMSOL capture rectified sheath potentials exceeding 300 V, leading to strong upper-limiter localization. Both poloidal and toroidal asymmetries are observed and attributed to RF sheath effects, with modeled erosion patterns deviating from experiment—highlighting sensitivity to sheath geometry and plasma resolution. Erosion is driven primarily by high-charge-state oxygen ions (O6+–O8+), while D+ plays a negligible role. Assuming a plasma composition of 1% oxygen and 98% deuterium, STRIPE predicts a 30-fold increase in gross W erosion from ohmic to ICRH phases, consistent with a >25-fold rise in W-I (400.9 nm) brightness. Quantitative agreement is within 5% in the ohmic phase and 30% under ICRH, demonstrating predictive capability. Importantly, the study shows that the magnitude of ICRH-driven W erosion depends strongly on the concentration of light impurities (O, B, N, C), which drive sputtering through high charge states. Cleaner plasma conditions with reduced impurity content are therefore expected to substantially mitigate antenna W sources in WEST and other toroidal fusion devices. These findings establish STRIPE as a predictive framework for RF-induced plasma–material interactions and support its application to reactor-scale antenna design.

Kumar, Atul [ORNL] (ORCID:0000000277475210)↗

Review of In Situ Sensing for Directed Energy Deposition for Industrial Part Quality Assessment

As the use additive manufacturing (AM) processes continues to grow in critical industries, improved quality assurance methods are becoming increasingly sought after for qualification and certification of AM components. Traditional nondestructive evaluation of printed components is often unable to supply the required confidence in print quality to justify qualification and certification, but the layer-by-layer nature of AM provides unprecedented opportunities for in situ quality inspection. This document summarizes recent developments in process monitoring research specifically related to Directed Energy Deposition (DED). Particular attention is given to three aspects of the highlighted manuscripts: (1) the type of sensors used, (2) features extracted from each sensor modality, and (3) analysis of extracted features for AM quality assessment. Based on the review of the state-of-the-art, several observations have been made. First, none of the reviewed works have applied their trained models to real part geometries, with many of the works relying on single track experiments, thin-walled structures, and cubes. Similarly, there have not been any works demonstrating model generalizability, i.e., a model trained on data from one build allows for fruitful analysis of data from another build. Many works used machine learning techniques to distinguish different process regimes (i.e., normal, keyholing, lack-of-fusion), but very few papers have investigated stochastic variation in an already “optimized” process. Sensor fusion approaches are also limited in the DED sensing literature, but the few works that have employed such techniques have demonstrated the benefits. Finally, registration of in situ data to the build coordinate system is of paramount importance to producing industrially relevant in situ monitoring systems. Data registration allows direct correlations between process anomalies detected in the process monitoring data to localized departures in part quality, but such techniques are generally lacking in the current literature.

36 MATERIALS SCIENCE↗

Computational and Experimental Investigation of Discrete “W” Turbulators for sCO2 Turbine Internal Cooling

Direct-fired supercritical CO2 (sCO2 ) cycles are of particular interest for power generation due to the potential for higher thermal efficiencies with inherent CO2 capture. Direct fired sCO2 turbines must withstand high temperatures and the density of the working fluid is much higher than conventional Brayton cycles. Based on conventional Brayton cycle applications, internal serpentine cooling channels with ribbed turbulator strips are a common approach to achieve the required cooling, while minimizing coolant utilization. Most of the previous studies of coolant channel heat transfer enhancements have focused on serpentine channels using air as the cooling media at Reynold’s numbers typical of Brayton cycles. This paper investigates the Nusselt number augmentation of coolant channels with no features, ribbed turbulators, and discrete “W” turbulators with surface roughness effects included and CO2 as the coolant. The numerical results are compared to experimental results using CO2 as the cooling media at Reynold’s numbers ranging from 100,000 to 300,000. The results show the Nusselt number augmentation plateaus with increasing Reynolds number, in contrast to the decay observed in prior publications with air as the coolant media. Additionally, the CFD results indicate the discrete “W” geometry provides a 10% increase in Nusselt number augmentation relative to the angled ribbed turbulators.

computational fluid dynamics (CFD)↗

Electron Spin Polarization in Large Electric Fields

This project investigated the effects of large electric fields on electron spin polarization in semiconductors, which is of interest for spin-based electronics (“spintronics”) and quantum information processing. It has been theoretically proposed that large electric fields could potentially preserve or amplify electron spin polarization, which would make it easier to generate, transport, and detect spin polarization in spin-based devices; however, previous measurements had not measured the response of electron spin polarization at large electric fields. During this project, methods to perform measurements of electron spin polarization at large electric fields were developed and performed using ultrafast time- and spatially-resolved magneto-optical spectroscopy, high-voltage pulses, and lock-in detection. The device geometry was engineered to reduce the threshold voltage required to reach the Gunn threshold, and the effect of optical illumination on the sample conductivity and Gunn oscillations was investigated. Electron spin polarization measurements were performed at electric fields up to and beyond the Gunn threshold for the device. The measurements showed that the electron spin polarization magnitude decreased with increasing electric field in the devices measured, and a spin amplification effect was not observed. However, these effects could potentially exist in a different material or in a material with a different doping concentration or in a different device geometry.

36 MATERIALS SCIENCE↗

Emergent actin flows explain distinct modes of gliding motility

During host infection, Toxoplasma gondii and related unicellular parasites move using gliding, which differs fundamentally from other known mechanisms of eukaryotic cell motility. Gliding is thought to be powered by a thin layer of flowing filamentous (F)-actin sandwiched between the plasma membrane and a myosin-covered inner membrane complex. How this surface actin layer drives the various gliding modes observed in experiments—helical, circular, twirling and patch, pendulum or rolling—is unclear. Here we suggest that F-actin flows arise through self-organization and develop a continuum model of emergent F-actin flow within the confines provided by Toxoplasma geometry. In the presence of F-actin turnover, our model predicts the emergence of a steady-state mode in which actin transport is largely directed rearward. Removing F-actin turnover leads to actin patches that recirculate up and down the cell, which we observe experimentally for drug-stabilized actin bundles in live Toxoplasma gondii parasites. These distinct self-organized actin states can account for observed gliding modes, illustrating how different forms of gliding motility can emerge as an intrinsic consequence of the self-organizing properties of F-actin flow in a confined geometry.

59 BASIC BIOLOGICAL SCIENCES↗

Adiabatic approximation and Aharonov-Casher bands in twisted homobilayer transition metal dichalcogenides

Topological flat moiré bands with nearly ideal quantum geometry have been identified in homobilayer transition metal dichalcogenide moiré superlattices, and are thought to be crucial for understanding the fractional Chern insulating states recently observed therein. Previous study proposed viewing the system using an adiabatic approximation that replaces the position dependence of the layer spinor with a nonuniform periodic effective magnetic field. When the local zero-point kinetic energy of this magnetic field cancels identically against that of an effective Zeeman energy, a Bloch-band version of Aharonov-Casher zero-energy modes, which we refer to as Aharonov-Casher band, emerges leading to ideal quantum geometry. Here, we critically examine the validity of the adiabatic approximation and identify the parameter regimes under which Aharonov-Casher bands emerge. We show that the adiabatic approximation is accurate for a wide range of parameters including those realized in experiments. Furthermore, we show that while the cancellation leading to the emergence of Aharonov-Casher bands is generally not possible beyond the leading Fourier harmonic, the leading harmonic is the dominant term in the Fourier expansions of the zero-point kinetic energy and Zeeman energy. Finally, the leading harmonic expansion accurately captures the trend of the bandwidth and quantum geometry, although it may fail to quantitatively reproduce more detailed information about the bands such as the Berry curvature distribution.

36 MATERIALS SCIENCE↗

Confinement-induced chirality in phase-separated achiral polymer solutions

Self-organization of polymers in constrained geometries largely determines their applications in high-strength materials, photonics, and electronics. Chiral organization under confinement is well established for polymers with intrinsic molecular chirality; however, it has not been observed for achiral polymers. Here, we report the emergence of chirality in spatially confined solutions of achiral rigid-rod polymers. We show that kinetically arrested phase separation of polymer solutions confined to narrow capillaries resulted in alternating segments of isotropic and chiral nematic phases. The chiral structure of the nematic segments originated from the interplay between the constrained geometry, surface anchoring, orientational wetting, and elastic anisotropy of rigid-rod polymers. The catenoidal shape of the chiral structure recapitulated the morphology of biological chiral structures. These findings provide insight into the organization of soft matter under spatial confinement and offer a straightforward way to form chiral structures from achiral synthetic polymers.

Science & Technology - Other Topics↗

Experimental characterization of a triply periodic minimal surface PCM-to-air thermal energy storage device

Here, the expansion of energy production has intensified research into thermal energy storage (TES) to manage variability and improve system efficiency. Heat exchanger design is critical to achieving high power densities in TES systems. This study presents a high-surface-area phase change material (PCM)-to-air heat exchanger fabricated via resin-based stereolithography with a novel gyroid-based geometry tailored for enhanced performance. Material properties of the commercial PCM and resin were characterized using analytical techniques. A controlled air loop was used to evaluate heat transfer and pressure drop at various flow rates and inlet temperatures. Results show a strong dependence on the inlet temperature difference (ΔT) relative to the PCM melting point. During charging at the highest flow rate, increasing the inlet air temperature from ΔT = 5 °C to 20 °C above the melting point increased the average heat transfer rate by 187%. During discharging, decreasing the inlet temperature by the same ΔT below the melting point led to a 232% increase. Notably, the high-surface-area design enabled nearly symmetric charging and discharging behavior, a novel result for PCM-based TES systems which are often restricted by natural convection and other effects. The overall heat transfer coefficient was calculated and compared to values from standard design correlations. The maximum thermal effectiveness reached 95% at ΔT = 20 °C and a moderate flow rate of 34 m 3 /h. Peak coefficients of performance (COP) of 7 during charging and 6.4 during discharging were observed at ΔT = 20 °C and a low flow rate of 20 m 3 /h. These results demonstrate the viability of additively manufactured geometries for advanced TES applications.

25 ENERGY STORAGE↗

Investigation of magnetic fluctuations in L-H and H-L transition dynamics on DIII-D

The dynamics of the L-H transition is not fully understood, with many parameters changing the threshold power to enter H-mode and the self-regulation between zonal flows and turbulence in the plasma edge. This paper is primarily a presentation of experimental results for DIII-D L-H and H-L transitions and speculation on the observations made. Power threshold analysis and measurements of pedestal temperatures for these transitions are presented. A comparison is made between an L-H transition and H-L transition of comparable Psep exhibiting oscillatory behaviour, showing symmetry between forward and backward transition dynamics. This paper shows the first observations of magnetic fluctuations during L-H and H-L transitions on DIII-D, and shows that L-H and H-L transitions have similar magnetic fluctuation dynamics. Information geometry analysis has been performed on measurements of plasma density fluctuations, perpendicular plasma velocity fluctuations, and magnetic field fluctuations to investigate the self-regulation and evolution of these variables during the transitions. Perpendicular flow evolution is shown to dominate the transition dynamics in both directions, but self-regulation behaviour is observed between all three variables. A strong correlation between magnetic fluctuation information rate and density fluctuation information rate for these two shots shows the strong influence of magnetic behaviour on both the L-H and H-L transition, and that these transition dynamics necessarily include electromagnetic effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Drift kinetic electrostatic simulations of the edge localized mode heat pulse

In the present work, electrostatic drift kinetic simulations of parallel plasma transport within the tokamak scrape-off layer (SOL) are conducted using the COGENT code. The SOL configuration is represented in one-dimensional slab geometry, incorporating a heat source localized in the midplane. The heat source parameters correspond to those characterizing edge-localized modes observed in the Joint European Torus (JET) tokamak. The numerical model includes kinetic treatment of both ions and electrons, a simplified model for the gyrokinetic Poisson equation that allows one to step over short time scales associated with fast electrostatic shear Alfvèn waves, and the logical sheath boundary condition (LSBC) that enforces global system quasineutrality. A third-order accurate LSBC is derived to be consistent with the third-order accurate upwind advection scheme utilized in the code, and it was shown to noticeably impact the simulation results, especially parallel heat flux at the target plate. The findings of this study are in agreement with results from preceding fluid and kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗