2017 VTO Annual Merit Review Presentations Analysis [Slides]
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Advanced Vehicle cost↗
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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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Connectivity, Pathology, and ApoE4 Interactions Predict Longitudinal Tau Spatial Progression and Memory
ABSTRACT Tau pathology spread into neocortex indicates a transition from healthy aging to Alzheimer's disease (AD). Connectivity between tau epicenters and later accumulating regions of cortex has been proposed as a mechanism of tau spread, but how this relationship changes with greater AD pathology burden or genotype is not understood. We investigated tau accumulation in two key regions, precuneus and inferior temporal cortex, using resting state functional connectivity (rsFC) and longitudinal PET imaging from a multicohort sample of cognitively unimpaired older adults. We examined how baseline tau PET, Aβ PET, and ApoE4 genotype status interact with rsFC between hippocampus and these downstream regions to predict rate of tau accumulation in neocortex. We found that the 3‐way interaction between connectivity, baseline tau, and baseline Aβ or ApoE4 status was associated with neocortical tau accumulation in precuneus and inferior temporal cortex. In addition, baseline tau, Aβ, and ApoE4 status also moderated the association between connectivity and rate of memory decline. Together, these results suggest that the extent and distribution of future tau accumulation may be predicted by the interaction of baseline connectivity, AD pathology, and genetic risk.
Neurosciences & Neurology↗
Superdiffusion resilience in Heisenberg chains with two-dimensional interactions on a quantum processor
Superdiffusive spin transport in the one-dimensional (1D) Heisenberg model is a key theoretical discovery in nonequilibrium quantum many-body physics. Although extensively studied in 1D systems, the breakdown and sustenance of superdiffusion in two-dimensional (2D) lattices with integrability-breaking terms, as found in real materials, remains an open question. To address this, we develop a toy model that extends the 1D Heisenberg model with a representative set of 2D interaction types and tunable strengths. Our model exhibits varying degrees of superdiffusion breakdown depending on the interaction type, spanning ballistic to diffusive regimes. We establish and justify a hierarchy of 2D interactions based on their resilience against superdiffusion breakdown: Heisenberg >𝑋𝑋 > Ising. This precise control over the superdiffusive behavior also enables rigorous benchmarking of quantum hardware, and our simulations on IBM's Heron devices confirm the hardware's ability to accurately capture these many-body nonequilibrium phenomena. Overall, our results are relevant not only to simulating superdiffusion in real materials, such as the 1D Heisenberg compound KCuF3, which contains modest nonintegrable 2D terms, but also to extending superdiffusive behavior to larger 2D qubit lattices and other 2D materials.
Alagarsamy Manikandan, Keerthi Kumaran [ORNL]↗
Light–Material Interactions Using Laser and Flash Sources for Energy Conversion and Storage Applications
Abstract This review provides a comprehensive overview of the progress in light–material interactions (LMIs), focusing on lasers and flash lights for energy conversion and storage applications. We discuss intricate LMI parameters such as light sources, interaction time, and fluence to elucidate their importance in material processing. In addition, this study covers various light-induced photothermal and photochemical processes ranging from melting, crystallization, and ablation to doping and synthesis, which are essential for developing energy materials and devices. Finally, we present extensive energy conversion and storage applications demonstrated by LMI technologies, including energy harvesters, sensors, capacitors, and batteries. Despite the several challenges associated with LMIs, such as complex mechanisms, and high-degrees of freedom, we believe that substantial contributions and potential for the commercialization of future energy systems can be achieved by advancing optical technologies through comprehensive academic research and multidisciplinary collaborations.
Materials Science↗
Artemis I Space Launch System Base Heat Shield Thermal Protection System Performance
The Space Launch System (SLS) Core Stage base heat shield experienced the highest external heating environments on the entire launch vehicle during Artemis I ascent flight. This result was consistent with design predictions. The base heat shield experiences P50 cork combustion dynamics at low altitudes, plume-induced recirculation at moderate altitudes and then in-space base flow physics out to Main Engine Cut-Off (MECO). The base heat shield thermal protection system (TPS) is composed of a P50 cork ablator which is bonded to a substrate. The heat shield protects the gimbal actuation system, RS-25 turbomachinery systems and other aft section sensitive components during ascent. This paper estimates the base heat shield TPS performance from Artemis I using flight data from the NASA Langley Research Center’s Scientifically Calibrated In-Flight Imagery (SCIFLI) Airborne Multispectral Imager (SAMI), development flight instrumentation (DFI) and other TPS recession flight measurements. Predictions from computational and ground test-derived engineering ablation models and observations are also applied. Since no base heat shield substrate thermocouple data were obtained for Artemis I, an estimate of the TPS performance data is derived here. This data assesses thermal margin of the SLS Core Stage base heat shield and best informs the Artemis II Crewed mission to the moon.
aerothermodynamics↗
Tuning the Coordination Environment of Rh Single Atoms on Highly Dispersed Reducible Oxides for Enhanced Reverse Water-Gas Shift Performance
Controlling the dynamic mobility of catalyst surface active sites and their interactions with the surrounding environment is critical in generating active surfaces that directly influence the catalytic activity and selectivity. Here, we report a strategy for tailoring the dispersion and electronic environment of single atom Rh catalysts by decorating the alumina support with highly dispersed (HD) cerium and molybdenum oxides. The resulting catalysts exhibit markedly different behavior in the Reverse Water Gas Shift (RWGS) reaction. In particular, Rh/MoOx(HD)/Al2O3 maintains atomically dispersed Rh even at elevated temperatures (up to 400 °C), achieving CO selectivity of up to 100% and resists sintering via the formation of a newly developed structure featuring Rh single atoms embedded in MoOx clusters. In situ spectroscopy and microscopy analyses confirm the stabilization of Rh and the dynamic evolution of Rh–Mo coordination under reaction conditions. Our findings highlight the power of support modification in steering active site structure and activity, offering a pathway toward enhanced and tunable single atom catalysts for CO2 valorization.
CO selectivity↗
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)↗
H 2 O and CO 2 Sorption in Ion-Exchange Sorbents: Distinct Interactions in Amine Versus Quaternary Ammonium Materials
This article examines how water (H₂O) and carbon dioxide (CO₂) interact with two classes of ion-exchange sorbents — a primary amine sorbent and a quaternary ammonium (QA⁺) sorbent — using calorimetry, thermal gravimetric analysis, gas analysis, and molecular modeling. Here, the QA⁺ sorbent exhibits stronger binding to both H₂O and CO₂ but also shows thermal stability limitations. Mixed-gas experiments reveal that humidity strongly influences CO₂ uptake and that moisture-driven sorbent regeneration enables cyclic moisture swing CO₂ capture, with implications for low-energy CO₂ separation from dilute gas streams.
36 MATERIALS SCIENCE↗
Dressed-State Hamiltonian Engineering in a Strongly Interacting Solid-State Spin Ensemble
In quantum science applications, ranging from many-body physics to quantum metrology, dipolar interactions in spin ensembles are often controlled via Floquet engineering. However, this technique typically reduces the interaction strength between spins and effectively weakens the coupling to a target sensing field, limiting the metrological sensitivity. In this Letter, we develop and demonstrate an alternative method that directly tunes the native dipolar interaction in an ensemble of nitrogen-vacancy (NV) centers in diamond, thereby overcoming these limitations inherent to Floquet engineering. Our approach utilizes dressed-state qubit encoding under a bias magnetic field applied perpendicular to the crystal lattice orientation. This method leads to a 3.2× enhancement of the dimensionless coherence parameter JT 2 compared to state-of-the-art Floquet engineering and a 2.6× (8.3 dB) enhanced sensitivity in ac magnetometry. Furthermore, our results provide a powerful Hamiltonian engineering tool for future studies with NV ensembles and other interacting higher-spin (S > $\frac{1}{2}$) systems.
Quantum control↗
Risk Reduction Project in Pad Abort-1 Launch Vehicle Loads & Dynamics
The Pad Abort (PA-1) system includes the Launch Abort System (LAS) and the Command Module (CM). The PA-1 abort flight test will launch from the White Sands Missile Range. Prior to the ignition, the vehicle will be resting, without restraints, on a short support structure. The Launch Abort Motor will ignite and burn for less than 5 seconds before a 20 second coast. Then the LAS will separate from the CM and the CM will descend via parachute to a soil landing. The static firing of the Abort Motor (ST-1) for PA-1 Launch Vehicle resulted in unexpected higher levels that superseded the environment predictions and all the design and test loads of all subassemblies and components. A rapid project was put in place to develop the flight environments, loads and associated uncertainties for the Verification Load Cycle (VLC) of PA-1. An acoustic test and shaker test of the CM were planned and executed in support of the developments of damping and transfer functions. Instead of using the traditional structure-borne envelops, the actual ST-1 pressures and forces were used to develop the internal accelerations. The PA-1 motor was cooled to 60 Deg F using thermal conditioning to reduce the thrust profile. The plumes of the abort motor were studied to determine if the airborne environments would be reduced. The combination of all items, noted above, allowed a reduction in loads for VLC.
Sasan C Armand↗
Dark matter and baryon asymmetry from monopole-axion interactions
We introduce a novel mechanism where the kinetic energy of a rotating axion can be dissipated by the interactions with dark magnetic monopoles. This mechanism leads to a framework where the QCD axion and dark monopoles account for the dark matter density, and the observed baryon asymmetry is generated through the rotating QCD axion via axiogenesis. The monopoles acquire masses from a nonzero axion field, and they can transition between different quantized dyonic levels in the presence of a rotating axion field. The axion kinetic energy is dissipated by the transition, and thus the axion abundance is depleted to the observed dark matter abundance. We predict that the axion decay constant should be below 10 9 GeV to explain the observed dark matter and baryon densities.
Axions and ALPs↗
Four Years of Type Ia Supernovae Observed by TESS: Early-time Light-curve Shapes and Constraints on Companion Interaction Models
Abstract We present 307 type Ia supernova (SN) light curves from the first 4 yr of the Transiting Exoplanet Survey Satellite mission. We use this sample to characterize the shapes of the early-time light curves, measure the rise times from first light to peak, and search for companion star interactions. Using simulations, we show that light curves must have noise <10% of the peak flux to avoid biases in the early-time light-curve shape, restricting our quantitative analysis to 74 light curves. We find that the mean power-law index t β 1 of the early-time light curves isβ 1 = 1.93 ± 0.57, and the mean rise time to peak is 15.7 ± 3.5 days. The underlying population distribution forβ 1 may instead consist of a Gaussian component with mean 2.29, width 0.34, and a long tail extending to values less than 1.0. We find that the data can rarely distinguish between models with and without companion interaction models. Nevertheless, we find three high-quality light curves that tentatively prefer the addition of a companion interaction model, but the statistical evidence for the companion interactions is not robust. We also find two SNe that disfavor the addition of a companion interaction model to a curved power-law model. Taking the 74 SNe together, we calculate 3σupper limits on the presence of companion signatures to control for orientation effects that can hide companions in individual light curves. Our results rule out common progenitor systems with companions having Roche lobe radii >31R ⊙ (separations >5.7 × 10 12 cm, 99.9% confidence level) and disfavor companions having Roche lobe radii >10R ⊙ (separations >1.9 × 10 12 cm, 95% confidence level). Lastly, we discuss the implications of our results for the intrinsic fraction of single degenerate progenitor systems.
Astronomy & Astrophysics↗
Experimental Effervescence and Freezing Point Depression Measurements of Nitrogen in Liquid Methane-Ethane Mixtures
NASA is designing an unmanned submarine to explore the depths of the hydrocarbon-rich seas on Saturn’s moon Titan. Data from Cassini indicates that the Titan north polar environment sustains stable seas of variable concentrations of ethane, methane, and nitrogen, with a surface temperature near 93 K. The submarine must operate autonomously, study atmosphere/sea exchange, interact with the seabed, hover at the surface or any depth within the sea, and be capable of tolerating variable hydrocarbon compositions. Currently, the main thermal design concern is the effect of effervescence on submarine operation, which affects the ballast system, science instruments, and propellers. Twelve effervescence measurements on various liquid methane-ethane compositions with dissolved gaseous nitrogen are thus presented from 1.5 bar to 4.5 bar at temperatures from 92 K to 96 K to simulate the conditions of the seas. After conducting effervescence measurements, two freezing point depression measurements were conducted. The freezing liquid line was depressed more than 15 K below the triple point temperatures of pure ethane (90.4 K) and pure methane (90.7 K). Experimental effervescence measurements will be used to compare directly with effervescence modeling to determine if changes are required in the design of the thermal management system as well as the propellers.
Freezing Point Depression↗
Design Strategies Based on Electronic Interactions for Effective Catalysts in Lithium–Sulfur Batteries
Abstract Lithium–sulfur batteries (LSBs) are considered promising next‐generation batteries due to their high energy density (>500 W h kg −1 ). However, LSBs exhibit an unsatisfactory energy density (<400 W h kg −1 ) and cycle life (<300 cycles) because of the shuttle effect caused by soluble lithium polysulfide (LiPS) intermediates and the sluggish conversion reaction kinetics caused by insulating sulfur (S 8 ) and lithium sulfide (Li 2 S). Although various types of catalysts, including metal‐based compounds to single‐atom catalysts, have been reported to address these issues, most catalysts exhibited limited catalytic activity under practical lean electrolyte conditions (<5 µL mg −1 ). A comprehensive understanding of the synthetic strategy and catalytic mechanism of catalysts is essential for their design, but understanding the electronic effects of the catalysts and LiPS is more important. Furthermore, the electronic design of these catalysts is not well understood. In this review, we introduce the catalytic mechanisms in LSBs and discuss catalyst design strategies in terms of electronic effects on the interactions between reactants and catalysts, with a primary focus on heterogeneous catalytic systems. We additionally consider how the electronic property of homogeneous systems, particularly redox mediators, affects catalytic behavior under lean electrolyte conditions and propose future research directions for catalyst development in LSBs.
Chemistry↗
Reduced Order Models for Liquid Hydrogen Pooling and Vaporization Supported by Experiments
In the event of a leak of liquid hydrogen, a pool can form that vaporizes, disperses, and eventually dilutes to a non-flammable mixture. In this work, we describe fast-running models for the pooling and vaporization of liquid hydrogen in a steady cross-wind. Several pooling models from the literature are compared to solve for the flow and extent of the pool. The size of the pool can serve as the source for a separate dispersion model, which builds upon the existing one-dimensional Gaussian plume model in HyRAM+. Additional terms for the effects of a cross-wind on momentum and entrainment were added so that the model could handle the effects of a cross-wind on a low-speed flow. The models are compared to experimental data on pooling extent and downwind dispersion for steady flow rates of liquid hydrogen in a steady cross-wind. In the two compared experiments, liquid flow rates of 15 and 45 g/s were spilled onto concrete in cross-winds of approximately 1.8 m/s. The rate of growth of the pool and the downwind concentration boundaries are compared to the models, showing good agreement, although additional tuning is needed. These models can contribute to the advancement of codes and standards for liquid hydrogen systems.
dispersion↗
Interaction of Soil pH and Mineralogy Controls Soil Organic Matter Persistence through Changes in the Composition and Amount of Microbial Necromass
Microbial necromass–mineral associations are key to long-term soil organic matter (SOM) persistence. However, how soil pH and mineralogy interact to regulate SOM stability remains poorly understood. Here, we used artificial soils to test how three clay minerals (bentonite, kaolinite, and goethite), adjusted to four pH levels (5–8), affect microbial activity (respiration), microbial physiology (carbon use efficiency, CUE), microbial-derived residue material (necromass), and the formation and stability of mineral-associated organic matter (MAOM). Artificial soils were inoculated with a rhizosphere-derived microbial community cultured under the same pH conditions and on two representative simulated exudate types (organic acids and carbohydrates) and incubated for 6 weeks. In two complementary experiments, we added necromass from known microbial taxa to the same minerals across pH levels to isolate the role of necromass chemistry and loading. We found that soil pH shaped MAOM chemistry by altering microbial activity and necromass composition. In interaction with mineral type, pH also controlled MAOM thermal stability. Higher necromass loading weakened mineral-organic bonding, reducing MAOM stability, consistent with zonal mineral–organic interaction models. Our results demonstrate that microbial activity, rather than carbon use efficiency, better predicts MAOM formation and that pH-dependent necromass composition and loading govern MAOM persistence. These findings advance mechanistic understanding of SOM stabilization and have implications for predicting soil carbon dynamics under shifting environmental conditions.
carbon use efficiency↗
Colors of Jupiter's large anticyclones and the interaction of a Tropical Red Oval with the Great Red Spot in 2008
The nature and mechanisms producing the chromophore agents that provide color to the upper clouds and hazes of the atmospheres of the giant planets are largely unknown. In recent times, the changes in red coloration that have occurred in large- and medium-scale Jovian anticyclones have been particularly interesting. In late June and early July 2008, a particularly color-intense red tropical oval interacted with the Great Red Spot (GRS) leading to the destruction of the red tropical oval and cloud dispersion. We present a detailed study of the tropical vortices, usually white but sometimes red, and a characterization of their color spectral signatures and dynamics. From the spectral reflectivity in methane bands we study their vertical cloud structure compared to that of the GRS and BA. Using two spectral indices we found a near-correlation between anticyclones cloud top altitudes and red color. We present detailed observations of the interaction of the red oval with the GRS and model simulations of the phenomena that allow us to constrain the relative vertical extent of the vortices. We conclude that the vertical cloud structure, vertical extent and dynamics of Jovian anticyclones are not the causes of their coloration. We propose that the red chromophore forms when background material (a compound or particles) is entrained by the vortex, transforming into red once inside the vortex due to internal conditions, exposure to ultraviolet radiation or to the mixing of two chemical compounds that react inside the vortex, confined by a potential vorticity ring barrier.
red color↗
Minimal dark 𝑆𝑈(2) origin of a massless Dirac neutrino
We propose a gauge-symmetry origin of a rank-two Dirac neutrino mass matrix that enforces one exactly massless neutrino, while being consistent with the oscillation data, as well as cosmological constraints. The mechanism relies on a minimal dark 𝑆𝑈(2) 𝐷 gauge symmetry under which one right-handed neutrinolike Weyl fermion is charged, thereby forbidding its Standard Model Yukawa coupling. Quantum consistency then fixes the minimal dark-sector completion: Cancellation of the Witten anomaly requires a second fermionic 𝑆𝑈(2) 𝐷 doublet, while a discrete 𝑍 4 symmetry that forbids Majorana masses allows the two dark doublets to form a vectorlike pair. This anomaly-free completion gives rise to a secluded, confining dark sector that can contain a potential dark matter candidate, linking the protected neutrino texture to dark infrared dynamics.
confinement↗