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QBO Responses to Increased CO2: The Roles of Convection and SSTs

Long-term changes to the Quasi-Biennial Oscillation (QBO) remain uncertain. Recent multimodel investigations (Richter et al. 2020a, Butchart et al. 2020) suggest that QBO amplitude will weaken in the future, but trends in QBO period and stability are unclear. Additionally, the parameterizations that generate the QBO in CMIP6 models vary greatly, and about half of CMIP6 models do not represent the QBO at all (Richter et al. 2020b). Tropical convection is likely to play a role in QBO trends, yet a majority of gravity wave parameterizations in QBO-resolving models are fixed and cannot respond to changes in convection. We consider future changes of the QBO using the NASA Goddard Institute for Space Studies (GISS) Model E2.2, which has a realistic QBO produced partly through use of a non-orographic gravity wave drag scheme that explicitly links lower stratospheric momentum fluxes to convection (Rind et al., 2014, 2020; Orbe et al. 2020). The experiments include historical integrations and abrupt increases in CO which we use to probe the roles of convection and SST feedbacks. Overall, both the QBO period and amplitude decrease in response to CO2, and our results link the period response to changes in convection and the amplitude response to changes in upwelling.

Quasi-Biennial Oscillation (QBO)↗

NASA NTRS2008

Advanced Precipitation Radar Antenna to Measure Rainfall From Space

To support NASA s planned 20-year mission to provide sustained global precipitation measurement (EOS-9 Global Precipitation Measurement (GPM)), a deployable antenna has been explored with an inflatable thin-membrane structure. This design uses a 5.3 5.3-m inflatable parabolic reflector with the electronically scanned, dual-frequency phased array feeds to provide improved rainfall measurements at 2.0-km horizontal resolution over a cross-track scan range of up to 37 , necessary for resolving intense, isolated storm cells and for reducing the beam-filling and spatial sampling errors. The two matched radar beams at the two frequencies (Ku and Ka bands) will allow unambiguous retrieval of the parameters in raindrop size distribution. The antenna is inflatable, using rigidizable booms, deployable chain-link supports with prescribed curvatures, a smooth, thin-membrane reflecting surface, and an offset feed technique to achieve the precision surface tolerance (0.2 mm RMS) for meeting the low-sidelobe requirement. The cylindrical parabolic offset-feed reflector augmented with two linear phased array feeds achieves dual-frequency shared-aperture with wide-angle beam scanning and very low sidelobe level of -30 dB. Very long Ku and Ka band microstrip feed arrays incorporating a combination of parallel and series power divider lines with cosine-over-pedestal distribution also augment the sidelobe level and beam scan. This design reduces antenna mass and launch vehicle stowage volume. The Ku and Ka band feed arrays are needed to achieve the required cross-track beam scanning. To demonstrate the inflatable cylindrical reflector with two linear polarizations (V and H), and two beam directions (0deg and 30deg), each frequency band has four individual microstrip array designs. The Ku-band array has a total of 166x2 elements and the Ka-band has 166x4 elements with both bands having element spacing about 0.65 lambda(sub 0). The cylindrical reflector with offset linear array feeds reduces the complexity from "NxN" transmit/receive (T/R) modules of a conventional planar-phased array to just "N" T/R modules. The antenna uses T/R modules with electronic phase-shifters for beam steering. The offset reflector does not provide poor cross-polarization like a double- curved offset reflector would, and it allows the wide scan angle in one plane required by the mission. Also, the cylindrical reflector with two linear array feeds provides dual-frequency performance with a single, shared aperture. The aperture comprises a reflective surface with a focal length of 1.89 m and is made from aluminized Kapton film. The reflective surface is of uniform thickness in the range of a few thousandths of an inch and is attached to the chain-link support structure via an adjustable suspension system. The film aperture rolls up, together with the chain-link structure, for launch and can be deployed in space by the deployment of the chain-link structure.

Rahmat-Samii, Yahya↗

NASA NTRS2013

Towards Probablistic Assessment of Hypobaric Decompression Sickness Treatment

INTRODUCTION: Pressure, oxygen (O2), and time are the pillars to effective treatment of decompression sickness (DCS). The NASA DCS Treatment Model links a decrease in computed bubble volume to the resolution of a symptom. The decrease in volume is realized in two stages: a) during the Boyle's Law compression and b) during subsequent dissolution of the gas phase by the O2 window. METHODS: The cumulative distribution of 154 symptoms that resolved during repressurization was described with a log-logistic density function of pressure difference (deltaP as psid) associated with symptom resolution and two other explanatory variables. The 154 symptoms originated from 119 cases of DCS during 969 exposures in 47 different altitude tests. RESULTS: The probability of symptom resolution [P(symptom resolution)] = 1 / (1+exp(- (ln(deltaP) - 1.682 + 1.089×AMB - 0.00395×SYMPTOM TIME) / 0.633)), where AMB is 1 when the subject ambulated as part of the altitude exposure or else 0 and SYMPTOM TIME is the elapsed time in min from start of the altitude exposure to recognition of a DCS symptom. The P(symptom resolution) was estimated from computed deltaP from the Tissue Bubble Dynamics Model based on the "effective" Boyle's Law change: P2 - P1 (deltaP, psid) = P1×V1/V2 - P1, where V1 is the computed volume of a spherical bubble in a unit volume of tissue at low pressure P1 and V2 is computed volume after a change to a higher pressure P2. V2 continues to decrease through time at P2, at a faster rate if 100% ground level O2 was breathed. The computed deltaP is the effective treatment pressure at any point in time as if the entire deltaP was just from Boyle's Law compression. DISCUSSION: Given the low probability of DCS during extravehicular activity and the prompt treatment of a symptom with options through the model it is likely that the symptom and gas phase will resolve with minimum resources and minimal impact on astronaut health, safety, and productivity.

Conkin, J.↗

DOE OSTI2026

Dependence of wind-farm-induced gravity waves and wind farm performance on non-dimensional atmospheric parameters and simulation configuration

This large-eddy simulation (LES) study examines how wind-farm-induced atmospheric gravity waves (AGWs) and wind farm performance depend on non-dimensional atmospheric parameters and simulation configuration. A hypothetical aligned wind farm of actuator disks is simulated under neutral surface conditions, with a stable capping inversion and a mildly stable free atmosphere, to assess the effects of stratification beyond the atmospheric boundary layer (ABL) on ABL flow. Simulation set-ups fully resolving AGWs are validated to minimize spurious wave generation and reflection from the domain boundaries. The validated set-up is then used to analyze AGW types and characteristics, as well as stratification impacts under conventionally neutral boundary layer (CNBL) conditions. These conditions are governed by four non-dimensional parameters: the Froude numbers of the free atmosphere and capping inversion (Fr, Fr i ), and the aspect ratios of the ABL and wind farm (H̃ i , S h ). Simulation configurations that fully resolve AGWs – capturing at least one wavelength both horizontally and vertically – yield the most realistic stratification effects on ABL flow, whereas partial or unresolved configurations produce non-physical, channel-like behavior. A coherent description of the AGW phenomena is provided, highlighting the central role of capping inversion displacement in linking ABL fluctuations with AGWs. Trapped waves are confined within the capping inversion, while interfacial and internal waves aloft are identified as the AGW types most relevant to wind farm performance. The wavy inversion, analogous to an interfacial wave, forms converging and diverging zones that drive power fluctuations across the farm. The interfacial wavelength, measured over the wind farm, corresponds to one diverging, one converging, and one mildly diverging zone. As the interfacial wavelength decreases with Fr i , multiple convergence–divergence zones develop under sub-critical conditions (Fr i <1.0), while for super-critical conditions (Fr i > 1.0), the wavelength approaches the farm length. Wave amplitude increases with decreasing H̃ i (i.e., shallower capping inversions). Wind farm performance is most sensitive to H̃ i : shallow boundary layers increase blockage and reduce efficiency, while deeper layers enhance efficiency. Increasing Fr and Fr i mitigates blockage, and increasing S h mainly improves wake recovery. Although local power fluctuations arise from AGWs, overall wind farm efficiency remains nearly constant with Fr and Fr i , improving primarily with larger H̃ i and S h .

17 WIND ENERGY↗

NASA NTRS2014

Upgrade of the NASA 4STAR (Spectrometer for Sky-Scanning, Sun-Tracking Atmospheric Research) to its Full Science Capability of Sun-Sky-Cloud-Trace Gas Spectrometry in Airborne Science Deployments

The objectives of this task in the AITT (Airborne Instrument Technology Transition) Program are to (1) upgrade the NASA 4STAR (Spectrometer for Sky-Scanning, Sun-Tracking Atmospheric Research) instrument to its full science capability of measuring (a) direct-beam sun transmission to derive aerosol optical depth spectra, (b) sky radiance vs scattering angle to retrieve aerosol absorption and type (via complex refractive index spectra, shape, and mode-resolved size distribution), (c) zenith radiance for cloud properties, and (d) hyperspectral signals for trace gas retrievals, and (2) demonstrate its suitability for deployment in challenging NASA airborne multiinstrument campaigns. 4STAR combines airborne sun tracking, sky scanning, and zenith pointing with diffraction spectroscopy to improve knowledge of atmospheric constituents and their links to air pollution, radiant energy budgets (hence climate), and remote measurements of Earth's surfaces. Direct beam hyperspectral measurement of optical depth improves retrievals of gas constituents and determination of aerosol properties. Sky scanning enhances retrievals of aerosol type and size distribution. 4STAR measurements are intended to tighten the closure between satellite and ground-based measurements. 4STAR incorporates a modular sun-tracking/sky-scanning optical head with fiber optic signal transmission to rack mounted spectrometers, permitting miniaturization of the external optical head, and future detector evolution. 4STAR test flights, as well as science flights in the 2012-13 TCAP (Two-Column Aerosol Project) and 2013 SEAC4RS (Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys) have demonstrated that the following are essential for 4STAR to achieve its full science potential: (1) Calibration stability for both direct-beam irradiance and sky radiance, (2) Improved light collection and usage, and (3) Improved flight operability and reliability. A particular challenge for the AITT-4STAR project has been conducting it simultaneously with preparations for, and execution of, ARISE (Arctic Radiation - IceBridge Sea&Ice Experiment), a NASA airborne science deployment (unplanned when AITT-4STAR was selected for funding) in which 4STAR will deploy to Thule, Greenland, and Fairbanks, Alaska, on the NASA C- 130. This presentation describes progress to date in accomplishing AITT-4STAR goals, and plans for project completion.

Sun-Sky-Cloud-Trace↗

DOE OSTI2025

Molecular Simulation of Functionalized Covalent Organic Framework Membranes for Inorganic Salt Separation

Covalent organic frameworks (COFs) enable molecular-level design of nanochannels for selective separation in pressure-driven membrane processes. Through variation of building blocks and, subsequently, the pore structure and chemistry, membrane performance can be tailored. This study employs nonequilibrium molecular dynamics simulations to theoretically demonstrate the tunable selectivity of COF membranes through a bottom-up functionalization approach. Water and salt transport are evaluated for six β-ketoenamine-linked COFs with varying multilayer thicknesses. For the thinnest multilayer (0.64–0.72 nm), all COFs exhibit low sodium sulfate (Na 2 SO 4 ) rejection (55–66%). However, 20 stacked sheets (6.4–7.2 nm) provide 67–98% rejection, with the sulfonated COF providing the highest Na 2 SO 4 rejection. Analysis of time-resolved ion density profiles reveals that solute rejection is primarily governed by interfacial exclusion arising from pore size and functional group chemistry. Although increasing salt rejection compromises water permeance, the permeance of all COF membranes is at least two orders of magnitude greater than that of a commercially available nanofiltration membrane. Overall, this work guides the rational design of COF membranes for aqueous salt separation.

Nanofiltration↗

DOE OSTI2025

Code Coverage Status of the ARC Code DASSH-F

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DASSH-F serves as a steady state thermal hydraulic capability within the ARC system and replaces the SE2-ANL software that preceded it. This document identifies the set of test problems used to assess the code coverage for DASSH-F. The goal is to document what parts of the existing DASSH-F code are touched by the set of test problems and which are not. Because the verification work remains to be done on DASSH-F, one can assume that most of these issues will be resolved as part of that work. The code coverage analysis of DASSH-F was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DASSH-F. The code coverage tables are given for each submodule of DASSH-F. Because DASSH-F links to modules in DIF3D, some details on coverage changes to the DIF3D linked files is provided. As will be seen, most of the uncovered parts/files can be ignored because they are either for error message and debugging output or obviously not needed by DASSH-F today. Seven features of the DASSH-F code were identified to not be covered by the existing testing suite and thus additional verification test problems are suggested to fully cover these sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2006

Methodology for Designing Fault-Protection Software

A document describes a methodology for designing fault-protection (FP) software for autonomous spacecraft. The methodology embodies and extends established engineering practices in the technical discipline of Fault Detection, Diagnosis, Mitigation, and Recovery; and has been successfully implemented in the Deep Impact Spacecraft, a NASA Discovery mission. Based on established concepts of Fault Monitors and Responses, this FP methodology extends the notion of Opinion, Symptom, Alarm (aka Fault), and Response with numerous new notions, sub-notions, software constructs, and logic and timing gates. For example, Monitor generates a RawOpinion, which graduates into Opinion, categorized into no-opinion, acceptable, or unacceptable opinion. RaiseSymptom, ForceSymptom, and ClearSymptom govern the establishment and then mapping to an Alarm (aka Fault). Local Response is distinguished from FP System Response. A 1-to-n and n-to- 1 mapping is established among Monitors, Symptoms, and Responses. Responses are categorized by device versus by function. Responses operate in tiers, where the early tiers attempt to resolve the Fault in a localized step-by-step fashion, relegating more system-level response to later tier(s). Recovery actions are gated by epoch recovery timing, enabling strategy, urgency, MaxRetry gate, hardware availability, hazardous versus ordinary fault, and many other priority gates. This methodology is systematic, logical, and uses multiple linked tables, parameter files, and recovery command sequences. The credibility of the FP design is proven via a fault-tree analysis "top-down" approach, and a functional fault-mode-effects-and-analysis via "bottoms-up" approach. Via this process, the mitigation and recovery strategy(s) per Fault Containment Region scope (width versus depth) the FP architecture.

Barltrop, Kevin↗

NASA NTRS2019

Heatshield Entry Modeling Using a Design, Analysis, and Optimization Toolbox

The Mars Science Laboratory (MSL) was protected during its Mars atmospheric entry by an instrumented heatshield that used NASA's Phenolic Impregnated Carbon Ablator (PICA). PICA is a lightweight carbon fiber/polymeric resin material that offers excellent performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of atmospheric entry and material response. MEDLI recorded, among others, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP). The objective of this work is to showcase the capability of the Design, Analysis, and Optimization of Thermal Protection Materials (DAOTPM) software. DAO-TPM is a Python based framework that works as a link between mission design, aerothermal and radiative environment computation, Thermal Protection Systems (TPS) microstructure analysis, material response and optimization tools. The toolbox has a Graphical User Interface (GUI) that allows the user to build as well as run the various software and utilities used to design, analyze and optimize a heatshield during atmospheric entry.

Meurisse, Jeremie B. E.↗

DOE OSTI2024

Discovery of Multiple Light-Harvesting States of the Photosynthetic Protein PE545

Cryptophytes are photosynthetic microalga that flourish in a remarkable diversity of natural environments by using pigment-containing proteins with absorption maxima tuned to each ecological niche. While this diversity in the absorption has been well established, the subsequent photophysics is highly sensitive to the local protein environment and so may exhibit similar variation. Thermal fluctuations of the protein conformation are expected to introduce photophysical heterogeneity of the pigments that may have evolved important functional properties in a manner similar to that of the absorption. However, such heterogeneity is averaged out in ensemble measurements and, therefore, has not yet been probed. Here, we report single-molecule measurements of phycoerythrin 545 (PE545), the prototypical cryptophyte antenna protein, in its native dimeric form. A conformational ensemble was resolved consisting of distinct photophysical states with different light-harvesting properties. Proteins that did not quench, partially quenched, or fully quenched absorbed light were observed. Light intensity increased the quenched-state population of the dimer, potentially as a mechanism to deal with the extreme light intensities found in aqueous environments. Cross-linking, which mimics local interactions, introduces this light-dependent functionality while also suppressing other conformational dynamics. The cellular organization can, therefore, actively modulate the protein conformation and dynamics, selecting for distinct levels of light harvesting. Furthermore, the complex conformational equilibrium provides an additional mechanism for cryptophytes and likely other photosynthetic organisms to optimize solar energy capture and conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

Variability in Ocean Color Associated with Phytoplankton and Terrigenous Matter: Time Series Measurements and Algorithm Development at the FRONT Site on the New England Continental Shelf

Fronts in the coastal ocean describe areas of strong horizontal gradients in both physical and biological properties associated with tidal mixing and freshwater estuarine output (e.g. Simpson, 1981 and O Donnell, 1993). Related gradients in optically important constituents mean that fronts can be observed from space as changes in ocean color as well as sea surface temperature (e.g., Dupouy et al., 1986). This research program is designed to determine which processes and optically important constituents must be considered to explain ocean color variations associated with coastal fronts on the New England continental shelf, in particular the National Ocean Partnership Program (NOPP) Front Resolving Observational Network with Telemetry (FRONT) site. This site is located at the mouth of Long Island sound and was selected after the analysis of 12 years of AVHRR data showed the region to be an area of strong frontal activity (Ullman and Cornillon, 1999). FRONT consists of a network of modem nodes that link bottom mounted Acoustic Doppler Current Profilers (ADCPs) and profiling arrays. At the center of the network is the Autonomous Vertically Profiling Plankton Observatory (AVPPO) (Thwaites et al. 1998). The AVPPO consists of buoyant sampling vehicle and a trawl-resistant bottom-mounted enclosure, which holds a winch, the vehicle (when not sampling), batteries, and controller. Three sampling systems are present on the vehicle, a video plankton recorder, a CTD with accessory sensors, and a suite of bio-optical sensors including Satlantic OCI-200 and OCR-200 spectral radiometers and a WetLabs ac-9 dual path absorption and attenuation meter. At preprogrammed times the vehicle is released, floats to the surface, and is then winched back into the enclosure with power and data connection maintained through the winch cable. Communication to shore is possible through a bottom cable and nearby surface telemetry buoy, equipped with a mobile modem, giving the capability for near-real time data transmission and interactive sampling control.

Morrison, John R.↗

DOE OSTI2026

Measuring quasiparticle dynamics for particle impact reconstruction in a superconducting qubit chip

Quasiparticle poisoning following particle impacts poses a significant challenge to the development of fault-tolerant superconducting quantum computers, as a sudden excess of quasiparticles can simultaneously degrade the coherence of multiple qubits across large device arrays. In this work, we present a statistical analysis that models the time evolution of radiation-induced qubit energy relaxation through quasiparticle density dynamics. This study provides insight into quasiparticle loss processes by distinguishing between recombination and trapping decay channels and assessing their respective impact on qubit performance. We precisely measure quasiparticle recombination in multiple transmon qubits and uncover an unexpected dependence of qubit relaxation dynamics on deposited energy. By linking correlated relaxation events across qubits to ballistic phonon propagation, we introduce a statistical localization approach to extract the energy deposited in the substrate, which is in good agreement with Monte Carlo simulation. This work establishes the quantitative framework for using an arbitrary subset of superconducting transmon qubits in a QPU as energy-resolving witness particle detectors.

Celi, E. [Northwestern U.]↗

DOE OSTI2024

Stoichiometry–Induced Ferromagnetism in Altermagnetic Candidate MnTe

The field of spintronics has seen a surge of interest in altermagnetism due to novel predictions and many possible applications. MnTe is a leading altermagnetic candidate that is of significant interest across spintronics due to its layered antiferromagnetic structure, high Neel temperature (T N ≈ 310 K) and semiconducting properties. The results on molecular beam epitaxy (MBE) grown MnTe/InP(111) films are presented. Here, it is found that the electronic and magnetic properties are driven by the natural stoichiometry of MnTe. Electronic transport and in situ angle-resolved photoemission spectroscopy show the films are natively metallic with the Fermi level in the valence band and the band structure is in good agreement with first-principles calculations for altermagnetic spin-splitting. Neutron diffraction confirms that the film is antiferromagnetic with planar anisotropy and polarized neutron reflectometry indicates weak ferromagnetism, which is linked to a slight Mn-richness that is intrinsic to the MBE-grown samples. Further, when combined with the anomalous Hall effect, this work shows that the electronic response is strongly affected by the ferromagnetic moment. Altogether, this highlights potential mechanisms for controlling altermagnetic ordering for diverse spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Studying single-electron traps in newly fabricated Skipper-CCDs for the Oscura experiment using the pocket-pumping technique

Understanding and characterizing very low-energy (⁠ ∼eV) background sources is a must in rare-event searches. Oscura, an experiment aiming to probe electron recoils from sub-GeV dark matter using a 10 kg skipper-CCD detector, has recently fabricated its first two batches of sensors. In this work, we present the characterization of defects/contaminants identified in the buried-channel region of these newly fabricated skipper-CCDs. These defects/contaminants produce deferred charge from trap emission in the images next to particle tracks, which can be spatially resolved due to the sub-electron resolution achieved with these sensors. Using the trap-pumping technique, we measured the energy and cross section associated with these traps in three Oscura prototype sensors from different fabrication batches which underwent different gettering methods during fabrication. Results suggest that the type of defects/contaminants is more closely linked to the fabrication batch rather than to the gettering method used. The exposure-dependent single-electron rate (SER) of one of these sensors was measured ∼100 m underground, yielding (1.8±0.3)×10−3e−/pix/day at 131 K. The impact of the identified traps on the measured exposure-dependent SER is evaluated via a Monte Carlo simulation. Results suggest that the exposure-dependent SER of Oscura prototype sensors would be lower in lower background environments as expected.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Chirality-induced spin selectivity as a mechanism to control product selectivity during electrochemical CO 2 reduction

Electrocatalytic CO 2 reduction often suffers from competition with the hydrogen evolution reaction (HER), which lowers efficiency and limits product selectivity. Recent studies suggest that electron spin, when controlled at an electrode surface, can influence reaction pathways, but direct evidence linking spin effects to suppressed HER has been limited. Here, in this work, we show that helical chiral copper (Cu) electrodes reduce competing HER during CO 2 reduction, consistent with spin polarization induced via the chiral-induced spin selectivity effect. The helically structured Cu electrodes are fabricated by electrodeposition with a chiral templating reagent. Time-resolved Kerr ellipticity measurements, which track spin-polarized carriers generated by an ultrafast Seebeck current, confirm spin accumulation at the chiral Cu surface. This spin polarization disfavours H—H bond formation, thereby suppressing HER and enabling formate production alongside CO. These findings demonstrate that chirality-based spin control offers a strategy for steering selectivity in CO 2 reduction and other reactions where HER is an undesired competitor.

14 SOLAR ENERGY↗

DOE OSTI2026

Heat Transfer in Nuclear Waste Glasses: Measurements and Modeling of Thermal Radiation Properties

We measured and modeled near infrared extinction of nuclear waste glasses from 300 °C to 1150 °C to enable predictive radiation heat transfer and thermal conductivity estimates. A composition and redox informed model resolved contributions from key chromophores (Fe+2-O-Fe+3, V+4, free and bonded ?Si-OH groups) and, when present, spinel particles that can cause strong scattering. The model reproduced measured absorption from room temperature up to 1150 °C, with minor discrepancies near 1 µm (likely due to possible trace impurities) and 2.5 µm (linked to uncertainty in hydroxy groups). Spectra showed silicate melts were semitransparent mainly in the 0.5–4.0 µm window, responsible for radiation thermal conductivity that generally increases with increasing temperature. We quantified the dependence of effective thermal conductivity on dissolved water and provided distributions across >100 LAW/HLW/DFHLW melts at 1150 °C, supporting improved melter heat transfer modeling.

Ferkl, Pavel↗

NASA NTRS2017

Realistic 3D Radiative Modeling of Turbulent Structure of Moderate-Mass Stars and Sun

Understanding the turbulent dynamics of the Sun and stars is a critical element for interpreting observed processes and phenomena on different scales and for predicting extreme events such as flares and super flares. High-‐resolution observations of the Sun and high-‐fidelity radiative MHD numerical simulations have substantially advanced our understanding of solar and stellar local dynamics and magnetism from the upper convection zone to the atmosphere and corona. However, global modeling of the Sun with such a high degree of realism is currently not affordable due to the extremely high computational cost of resolving the scales in the convection zone. The physics of the deep solar dynamics can be effectively addressed through modeling more massive solar-‐type stars where the convection zone is shallower and the convective overturning time is much shorter than those on the Sun. We present recent 3D realistic simulation results of moderate-‐mass stars and discuss links between solar and stellar dynamics, such as the multiscale structure of granulation, convective overshoot, and others. In particular, these simulations have provided better understanding of the dynamics of the tachocline (the overshoot layer at the bottom of the convection zone) and have explained long-‐ standing results from helioseismology.

Realistic↗

DOE OSTI2026

CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17): Site-Selective Substitution, Electronic Structure, Chemical Bonding, and Structural Transformation

CoSn-type intermetallic compounds have emerged as a model platform for Kagome-derived flat-band physics, where subtle chemical perturbations can strongly influence electronic structure and phase stability. Here, we present a combined experimental and theoretical study of Sb-substitution in CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17) to elucidate the interplay between site selectivity, solubility limit, chemical bonding, and electronic structure. Rietveld refinements on Neutron powder diffraction data confirmed the selective Sb-substitution at the electron-rich In2 (2d) site forming the honeycomb substructure, while the In1 (1a) site within the Kagome layer remains exclusively occupied by In. Density functional theory (DFT) calculations revealed that pristine CoSn-type NiIn hosts Ni 3d-dominated flat bands near the Fermi level (EF), originating from the Kagome-like Ni substructure. Partial replacement of In by Sb within the honeycomb layer alters these flat-band features below EF, reducing the density of states and suppressing the flat-band topology near the Fermi level. Orbital-resolved electronic structure and chemical-bonding analyses show that Sb-substitution enhances Ni-p-block (In/Sb) covalency and optimizes charge compensation, stabilizing the CoSn-type structure up to the solubility limit x ≈ 0.17. Beyond the limit, the higher-Sb compositions show satellite reflections consistent with an incommensurately modulated phase. These results establish a link between site-selective chemical substitution, bonding optimization, and flat-band electronic structure evolution, providing fundamental insights into how chemical substitution influences the electronic properties of Kagome-based intermetallic compounds.

Roy, Nilanjan [National Institute of Technology Si↗