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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dynamically Chiral Expanded Helicenes

Expanded helicenes are a class of chiral nanographenes with a screw-shaped skeleton and a larger diameter than their classical ortho-fused counterparts. The flexibility of this internal cavity results in helicenes that are often difficult to isolate as single enantiomers. Expanded helicenes are therefore an intriguing target for exploration of dynamic chirality, a phenomenon resulting from introduction of chiral auxiliaries to control structure in a racemic system. This contribution describes installation of chiral amine substituents into the cavity of a diformyl expanded [11]-helicene by mild, efficient, and reversible imine condensations. The resulting helicenes display strong molar circular dichroism up to |Δε| = 300 M -1 cm -1 and absorption dissymmetry factors of |g abs | = 0.010. The magnitude of circular dichroism can be varied by using different chiral amine substituents, which is correlated to the diastereomeric ratios of the helicenes. In conclusion, this is the first instance of dynamic chirality being used to observe a chiroptic response in expanded helicenes and is a significant synthetic improvement over methods which require conventional enantiomer resolution.

Rothenberger, August J. [University of California,↗
DOE OSTI2024

Scalable Thin Light-Emitting Diode (LED) Light Sheet Platform

The goal of the Scalable Thin Light-Emitting Diode (LED) Light Sheet Platform project is to derisk the manufacturing scalability for a high chip count heterogeneous smart lighting platform, with the potential to enable significant energy savings through dynamic directional light control and custom. Specifically, the project derisks the scalability of a disruptive new computer controlled microassembly fabrication process SRI International is developing, to address fundamental cost barriers to mass production of high chip count systems. This is key for enabling mass adoption and thus maximum societal energy savings impact. The LED light sheet technology is a smart illumination platform that can be applied to lighting, signage, and display. It has features and a form factor similar to bendable or conformal OLED light sheets but uses more efficient LEDs with a remote phosphor layer that is very close to the LED to deliver a luminous efficacy that exceeds 125 lumen/Watt and enable > 50% Lighting Application Efficiency (LAE) energy savings. During Budget Period 1 (BP1), all of the BP1 milestones were successfully completed: (M2.0.1) Design demonstrator details that will meet the final project goals, (M6.1.1) Show lighting output model can predict illuminance, spatial, spectral distribution for specific light-sheet designs and use case, (M3.2.1) Automated loading supports 200 chip arrays, and (M3.3.1) Finish first interconnect process run for 200 chip array. The BP1 Go/No-Go Decision Point (G/NG 1) 200 chip demonstrator sample was in the process of final assembly and test at the end of BP1 on December 31, 2023. The objective was successfully achieved on January 16, 2024, when a wired 200-chip sample underwent confirmation testing that demonstrated a 93.75% first pass electrical yield that successfully exceeded the 75% first-pass electrical yield BP1 G/NG requirement. In addition, all 93.75% of the sample devices lit up, further demonstrating the ability to assemble and transfer small LED chips without damaging their functionality.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

N -way parametric frequency beamsplitter for quantum photonics

Optical networks are the leading platform for the transfer of information due to their low loss and ability to scale to many information channels using optical frequency modes. To fully leverage the quantum properties of light in this platform, it is desired to manipulate higher-dimensional superpositions by orchestrating linear, beamsplitter-type interactions between several channels simultaneously. We propose a method of achieving simultaneous, all-to-all coupling between N optical frequency modes via N -way Bragg-scattering four-wave mixing. By exploiting the frequency degree of freedom, additional modes can be multiplexed in an interaction medium of fixed volume and loss while avoiding the introduction of excess noise. We generalize the theory of the frequency-encoded two-mode interaction to N modes under this four-wave-mixing approach, finding that arbitrary unitary transformations are possible through successive four-wave-mixing pump configurations. We experimentally verify the quantum nature of this scheme by demonstrating three-way multiphoton interference. Two input photons are shared among three frequency modes and display interference differing from that of two classical (coherent-state) inputs. These results show the potential of our approach for the scalability of photonic quantum information processing to general N -mode systems in the frequency domain. Published by the American Physical Society 2025

Oliver, Richard (ORCID:0000000207760657)↗
DOE OSTI2025

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗
DOE OSTI2025

Integration of CO 2 capture and microalgae cultivation: demonstration assessment of outdoor Scenedesmus acutus cultivation using gaseous ammonia as a nitrogen source

Towards the goal of integrating CO 2 capture using aqueous ammonia with its utilization for algae cultivation, Scenedesmus acutus (UTEX B72) was grown in 1100 L open raceway ponds using CO 2 and NH 3 supplied from gas cylinders. CO 2 /NH 3 mole ratios of 7 and 10 were employed, the gas mixture acting as a surrogate for the output from a CO 2 scrubbing system using aqueous ammonia. Compared to Scenedesmus acutus grown in open ponds using gaseous CO 2 and NaNO 3 as the N-source, the ponds supplied with gaseous CO 2 and NH 3 displayed higher productivity at both CO 2 /NH 3 ratios, with the higher ratio providing the best growth. Depending on the culturing conditions and CO 2 /NH 3 ratio, CO 2 utilization ranged up to 15.8% and NH 3 utilization to 23.0%. These rather low values reflect the fact the high CO 2 /NH 3 feed rate used, resulting in a substantial release of NH 3 from the ORPs (~45%). Finally, these findings demonstrate the suitability of gaseous NH 3 as a N-source for microalgae cultivation, while highlighting the need for a control strategy that closely balances the CO 2 /NH 3 supply with the algae growth rate. The produced algae biomass possessed a high protein and low ash content, rendering it particularly suitable for use as a bioplastic feedstock.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Endurance exercise elicits temporal and sexual dimorphic multi-omics remodeling of liver metabolism revealed by MoTrPAC

The mechanisms by which exercise modulate liver metabolism, a central regulator of systemic metabolism, are poorly understood. Leveraging data from MoTrPAC, we analyzed liver adaptations across 1, 2, 4, and 8 weeks of exercise in male and female rats using multi-omic approaches. Female livers displayed a progressive increase in oxidative phosphorylation (OXPHOS) complexes (at the protein level), while male livers showed an increase in acetylation of OXPHOS, TCA cycle, and fatty acid oxidation enzymes. Exercise also enhanced liver cholesterol and bile acid synthesis, reducing liver lipid metabolites in males after 8 weeks of exercise. Male rats had higher fecal cholesterol and cholic acid levels, indicating a sex-specific mechanism of lipid excretion with exercise. Moreover, 8 weeks of training reduced markers related to hepatic stellate cell activation and fibrosis in both sexes. This study highlights the sexual dimorphic and temporal molecular signatures by which exercise modulates liver metabolism to provide hepatoprotective effects.

Kelty, Taylor↗
DOE OSTI2024

Three Quenched, Faint Dwarf Galaxies in the Direction of NGC 300: New Probes of Reionization and Internal Feedback

We report the discovery of three faint and ultra-faint dwarf galaxies -- Sculptor A, Sculptor B and Sculptor C -- in the direction of NGC 300 (D=2.0 Mpc), a Large Magellanic Cloud-mass galaxy. Deep ground-based imaging with Gemini/GMOS resolves all three dwarf galaxies into stars, each displaying a red giant branch indicative of an old, metal-poor stellar population. No young stars or HI gas are apparent, and the lack of a GALEX UV detection suggests that all three systems are quenched. Sculptor C (D=2.04$^{+0.10}_{-0.13}$ Mpc; $M_V=-9.1\pm 0.1$ mag or $L_V=(3.7^{+0.4}_{-0.3})\times 10^5L_{\odot})$ is consistent with being a satellite of NGC 300. Sculptor A (D=1.35$^{+0.22}_{-0.08}$ Mpc; $M_V=-6.9\pm 0.3$ mag or $L_V=(5^{+1}_{-1})\times 10^4 L_{\odot})$ is likely in the foreground of NGC 300 and at the extreme edge of the Local Group, analogous to the recently discovered ultra-faint Tucana B in terms of its physical properties and environment. Sculptor B (D=2.48$^{+0.21}_{-0.24}$ Mpc; $M_V=-8.1\pm 0.3$ mag or $L_V=(1.5^{+0.5}_{-0.4})\times 10^5L_{\odot})$ is likely in the background, but future distance measurements are necessary to solidify this statement. It is also of interest due to its quiescent state and low stellar mass. Both Sculptor A and B are $\gtrsim 2-4 r_{vir}$ from NGC 300 itself. The discovery of three dwarf galaxies in isolated or low-density environments offers an opportunity to study the varying effects of ram pressure stripping, reionization and internal feedback in influencing the star formation history of the faintest stellar systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

First-Principles Studies on Sc 2 RuZ (Z = Si, Ge, Sn) Inverse Heusler Alloys: Structural, Electronic, and Transport Properties

The continuous demand for efficient, nontoxic, and thermally stable materials for room-temperature energy conversion motivates the exploration of novel thermoelectric systems beyond the traditional magnetic Heusler alloys. While full and half-Heusler compounds, especially Co-, Ni-, and Mn-based systems, have demonstrated promising thermoelectric properties, their typically high operating temperatures and magnetic complexities limit their applicability in ambient thermal management. In this context, we investigate whether Sc-based inverse Heusler alloys can offer a viable nonmagnetic alternative with competitive thermoelectric performance. In this work, we perform a systematic first-principles study of the inverse Heusler compounds Sc 2 RuZ (Z = Si, Ge, Sn), focusing on their structural, electronic, mechanical, and thermodynamic-thermoelectric properties. Density Functional Theory (DFT) was employed to compute optimized lattice structures and band dispersion, while dynamical stability was assessed via phonon calculations. Thermoelectric transport coefficients, including Seebeck coefficient, electrical conductivity, and thermal conductivity, were estimated using the semiclassical Boltzmann transport theory within the constant relaxation time approximation. Our results show that all Sc 2 RuZ compounds are thermodynamically stable semiconductors with indirect band gaps of 0.12–0.16 eV and exhibit high elastic moduli, especially Sc 2 RuSn, which demonstrates superior stiffness and incompressibility. Importantly, all compounds display promising room-temperature thermoelectric characteristics, including high Seebeck coefficients and power factors. These findings reveal that Sc 2 RuZ alloys represent a rare class of stable, nonmagnetic inverse Heusler semiconductors with intrinsic thermoelectric potential at room temperature, unlike many existing Heusler systems optimized for spintronics or high-temperature operation. This work expands the known design space for Heusler-based thermoelectrics and offers a theoretical basis for experimental realization of efficient, low-temperature, nonmagnetic thermoelectric materials.

alloys↗
DOE OSTI2025

Maps of growing season gross primary production and net ecosystem exchange for Council Road Mile Marker 71, Seward Peninsula, Alaska, [2017-2023]

This data archive is in support of the Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) publication "Integrating Characteristic Arctic Vegetation in a Land Surface Model Improves Representation of Carbon Dynamics Across a Tundra Landscape", by Murphy et al. (2025a). Murphy et al. (2025a) evaluated whether incorporating observed Arctic vegetation heterogeneity into ELM, the land model of the Department of Energy’s Energy Exascale Earth System Model (E3SM), improved simulations of tundra carbon cycling. The associated model archive can be found at Murphy et al. (2025b). The study focused on the spatial patterns and net landscape-level growing season productivity and carbon uptake. As part of this evaluation, observationally derived maps of average growing season (June–August) net ecosystem exchange (NEE) and gross primary production (GPP) were developed for the same domain. These maps, which form the dataset described here, integrate eddy covariance flux tower, remote sensing, and vegetation community data to provide spatially explicit benchmarks for model evaluation. The maps provide spatially explicit estimates of average growing season NEE and GPP across 13 tundra vegetation communities within the study domain. By combining flux tower observations with Airborne Visible-Infrared Imaging Spectrometer-Next Generation (AVIRIS-NG) hyperspectral imagery and drone-based normalized difference vegetation index (NDVI), these maps capture the heterogeneity of carbon fluxes associated with different Arctic vegetation types. While they represent average seasonal conditions rather than interannual variability, the maps provide a unique dataset for evaluating model performance, comparing vegetation community contributions to landscape-scale carbon cycling, and supporting regional analyses of Arctic carbon dynamics. This data archive contains 5 m resolution maps of vegetation communities, vegetation community average growing season GPP, and vegetation community average growing season NEE (three *.tif files), a User’s Guide (*pdf file), and Table 1 of the User’s Guide displaying vegetation community coverage and average growing season NEE and GPP values (*.csv file).

Murphy, Bailey [ORNL] (ORCID:0000000203995221)↗
DOE OSTI2024

Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th–O Case Study

Density functional tight binding (DFTB) models for f-element species are challenging to parametrize owing to the large number of adjustable parameters. The explicit optimization of the terms entering the semiempirical DFTB Hamiltonian related to f orbitals is crucial to generating a reliable parametrization for f-block elements, because they play import roles in bonding interactions. However, since the number of parameters grows quadratically with the number of orbitals, the computational cost for parameter optimization is much more expensive for the f-elements than for the main group elements. In this work we present a set of efficient approaches for mitigating the hurdle imposed by the large size of the parameter space. A novel group-by-orbital correction functions for two-center bond integrals was developed. With this approach the number of parameters is reduced, and it grows linearly with the number of elements, maintaining the accuracy and the number of parameters, in the case of f elements, by more than 40%. The parameter optimization step was accelerated by means of the mini-batch BFGS method. This method allows parameter optimizations with much larger training sets than other single batch methods. A stochastic optimizer was employed that helped overcome shallow local minima in the objective function. The proposed algorithm was used to parametrize the DFTB Hamiltonian for the Th–O system, which was subsequently applied to the study of ThO 2 nanoparticles. The training set consisted of 6322 unique structures, which is barely feasible with conventional optimization methods. The optimized parameter set, LANL-ThO, displays good agreement with DFT-calculated properties such as energies, forces, and structures for both clusters and bulk ThO 2 . Benefiting from the fewer number of parameters and lower computational costs for objective function evaluations, this new approach shows its potential applications in DFTB parametrization for elements with high angular momentum, which present a challenge to conventional methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Streamlined spatial and environmental expression signatures characterize the minimalist duckweed Wolffia australiana

Single-cell genomics permits a new resolution in the examination of molecular and cellular dynamics, allowing global, parallel assessments of cell types and cellular behaviors through development and in response to environmental circumstances, such as interaction with water and the light–dark cycle of the Earth. Here, we leverage the smallest, and possibly most structurally reduced, plant, the semiaquaticWolffia australiana, to understand dynamics of cell expression in these contexts at the whole-plant level. We examined single-cell-resolution RNA-sequencing data and foundWolffiacells divide into four principal clusters representing the above- and below-water-situated parenchyma and epidermis. Although these tissues share transcriptomic similarity with model plants, they display distinct adaptations thatWolffiahas made for the aquatic environment. Within this broad classification, discrete subspecializations are evident, with select cells showing unique transcriptomic signatures associated with developmental maturation and specialized physiologies. Assessing this simplified biological system temporally at two key time-of-day (TOD) transitions, we identify additional TOD-responsive genes previously overlooked in whole-plant transcriptomic approaches and demonstrate that the core circadian clock machinery and its downstream responses can vary in cell-specific manners, even in this simplified system. Distinctions between cell types and their responses to submergence and/or TOD are driven by expression changes of unexpectedly few genes, characterizingWolffiaas a highly streamlined organism with the majority of genes dedicated to fundamental cellular processes.Wolffiaprovides a unique opportunity to apply reductionist biology to elucidate signaling functions at the organismal level, for which this work provides a powerful resource.

Biochemistry & Molecular Biology↗
DOE OSTI2025

Evaluation of New Additions to OLI Software in Predicting Mercuric and Mercurous Species in Liquid Waste Operations

Speciation of mercury during the pretreatment steps of tank waste processing is critical to successful mercury removal prior to vitrification during Liquid Waste Operations (LWO) at SRS. OLI software has been used to predict mercury speciation and activity throughout LWO. The OLI software operates based on a thermodynamic framework called the Mixed Solvent Electrolyte (MSE) framework. The MSE framework allows prediction in theoretically infinitely dilute to concentrated mixtures (e.g., purely solute solutions). Before modification to the MSE framework databanks, certain critical mercury species were missing in the MSE databank, and some thermodynamic data needed to be updated for the OLI software to accurately predict mercury chemical species in SRS waste tanks. To better reflect streams across LWO, new mercury species were integrated into the MSE database. To evaluate the changes to the OLI MSE framework per the Technical Task Request (TTR) and the Task Technical and Quality Assurance Plan (TTQAP), waste stream compositions from Tanks 38, 43, and Tank 50 decontaminated salt solution (DSS) were used as model inputs. Models were developed and executed using both the old and new databases. Compositional analyses from caustic Tank 50 DSS and caustic Tanks 38 and 43 were used as the input streams. These streams represent the most comprehensive chemical data sets where both mercury and tank constituents were measured together. Results for Tank 50 DSS predict HgO as the predominant species in both databases. Both methyl and dimethyl Hg species are present when the new database is ‘on’ and are not predicted with the new database turned ‘off’. The new database predicts a greater amount of HgO and a greater fraction of it in the solid phase. Pourbaix diagrams (potential vs. pH) generated for each Tank 50 DSS were identical regardless of which database was used. Elemental Hg and HgO were predicted in the water stable region under basic conditions. Tanks 38 and 43 follow similar trends as the Tank 50 DSS models. Unlike Tanks 38 and 50 DSS, the Tank 43 Pourbaix plot shows a region of stability for an aqueous HgOHCO3 - species between approximately pH 7-11. In all streams, when MeHg+ is included in the inputs, the new database predicts aqueous MeHgOH as the dominant species. If elemental or dimethyl mercury is in the waste stream, the new database model predicts they are unchanged and remain in those states and quantities. Additionally, the total mercury values are reported for both the measured input data and the OLI output data for all considered tanks. The summary indicates that the percentage error between the measured and calculated values is less than 1% in all cases The reconciliations and generation of the Pourbaix diagrams for Tank 50 DSS took approximately ten times longer with the new database ‘on’. In addition, over the course of that time, models with the new database ‘on’ were more likely to crash or display an error. Some modest performance improvements were noted when modeling with an i7 processor versus an i5. An example error is found in Appendix A. Furthermore, Appendix B provides V&V for two chemical systems analyzed with the OLI software, results were satisfactory. It is recommended to utilize the new databases (i.e., HCO.ddb and SR-Hg.ddb) in future Savannah River Mission Completion applications of OLI to represent pseudo steady-state. Furthermore, the integration and utilization of the new databases (i.e., HCO.ddb and SR-Hg.ddb) in modeling applications (e.g., Aspen) is also recommended.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Designing a User Interface for Real-Time Magnetometer Data Acquisition

The Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) is a next-generation quantum sensor designed to search for ultralight dark matter and explore new frontiers in quantum mechanics. Due to the experiment s sensitivity to magnetic interference, a magnetometer trolley system was developed to scan magnetic fields along a vacuum tube. Interacting with the system required command-line inputs, creating usability challenges. To improve accessibility and streamline data acquisition, I developed a graphical user interface (GUI) using Python and the customtkinter library. The GUI supports real-time data display, state/mode switching, command execution, and CSV file management. I collaborated with another intern to integrate data visualization features into the GUI, allowing users to generate 3D plots of post-acquisition magnetic field data. In the future, I aim to fix the real-time plotting feature as it results in an unresponsive GUI.

Mendez, Milagros [DuPage Coll.]↗
DOE OSTI2025

Designing a User Interface for Real-Time Magnetometer Data Acquisition

The Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) is a next-generation quantum sensor designed to search for ultralight dark matter and explore new frontiers in quantum mechanics. Due to the experiment’s sensitivity to magnetic interference, a magnetometer trolley system was developed to scan magnetic fields along a vacuum tube. Interacting with the system required command-line inputs, creating usability challenges. To improve accessibility and streamline data acquisition, I developed a graphical user interface (GUI) using Python and the customtkinter library. The GUI supports real-time data display, state/mode switching, command execution, and CSV file management. I collaborated with another intern to integrate data visualization features into the GUI, allowing users to generate 3D plots of post-acquisition magnetic field data. In the future, I aim to fix the real-time plotting feature as it results in an unresponsive GUI.

Mendez, Milagros [DuPage Coll.]↗
DOE OSTI2026

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu 14 and Au 20 Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO–LUMO, Fundamental, Optical, and Electrochemical Energy Gaps

In view of the tremendous progress in atomically precise metal nanoclusters where electrochemical and optical energetics are routinely supported by computations to establish structure−function correlations, we explore the relationship between different protocols for measuring and computing band gaps of two distinct organic ligand-protected nanoclusters: [Cu 14 H 10 (MBN) 3 (PPh 3 ) 8 ] + and Au 20 (TBBT) 16 . Through UV/visible spectroscopy and differential pulse voltammetry, we measure optical and electrochemical band gaps in those systems. We then compare these experimentally determined gaps to HOMO−LUMO gaps, fundamental gaps, vertical excitation energies, and E o ox − E o red potentials computed using different density functional theory (DFT) or time-dependent DFT (TDDFT) methods. Specifically, in both copper and gold nanoclusters, we test the effect of truncating inert ligands from the model and compare density functionals with varying degrees of Hartree−Fock (HF) exchange from 0 to 50%, range-separated hybrids with a varying long-range tuning parameter, different correlation functionals, basis sets, and (equilibrium and nonequilibrium) continuum solvation models. Despite having different frontier orbital characters (the copper nanocluster has a metal-to-ligand charge transfer character while the gold nanocluster has metal-centered frontier orbitals), both nanoclusters display a similar sensitivity of the HOMO−LUMO gap to the HF exchange that is partially mitigated when computing the fundamental, optical, and electrochemical gaps. Other factors, such as the nature of the correlation functional, basis set, and geometry relaxation, have a considerably smaller effect on computed band gaps in these systems. Overall, this work provides guidelines for factors of varied importance for correlating computed and experimental band gap values.

Chemical calculations↗
DOE OSTI2025

Yes, No, Maybe So: Human Factors Considerations for Fostering Calibrated Trust in Foundation Models Under Uncertainty

High-stakes analytical environments require analysts to evaluate evidence and generate conclusions to inform critical decisions often under conditions of uncertainty. Probabilistic decision-making based on incomplete or inaccurate information can reduce productivity, compromise national interests, and endanger public safety. Researchers are developing expert systems built on foundation models (FMs) to support analysts’ decision-making processes by enabling human-artificial intelligence (AI) teaming, in part through the quantification and expression of uncertainty information. As FMs continue to mature, it is imperative to correspondingly consider analysts’ needs for appropriately interpreting and using uncertainty information. However, prior research indicates that it remains unclear how analysts engage with FM-generated uncertainty information and the extent to which these interactions influence trust in, and reliance on, expert systems. We plan to review the state of the science and conduct an exploratory, qualitative study to (a) understand how properly communicated uncertainty can foster calibrated trust and appropriate reliance and (b) identify approaches for effectively conveying FM-generated uncertainty information during analytical workflows. We will administer semi-structured interviews with analysts from a specific high-stakes analytical environment to collect their current experiences with job-related uncertainty and their impressions when viewing FM-generated uncertainty information. During the interview protocol, participants will be presented with several different FM outputs and invited to discuss their thoughts and beliefs about the uncertainty information displayed. Participants may provide insights into how trust and reliance may be influenced by uncertainty. The results of this study will help us to better understand how analysts currently interpret and use uncertainty information. Our findings may inform human factors recommendations for effectively conveying uncertainty information to foster calibrated trust in, and appropriate reliance on, expert systems. Interaction designers and FM developers can use this knowledge to enhance human-AI teaming and ensure the responsible deployment of FM-based expert systems in analytical workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

High-Entropy Alloys for Accelerator Beam Window Applications

Development of novel high-entropy alloys (HEAs) is currently underway for potential use as beam windows in future multi-megawatt target systems at Fermilab. HEAs encompass a new class of materials with a vast design space allowing for material properties to be tailored for particular applications and to potentially offer improved resistance to beam-induced radiation damage and thermal shock effects. The alloy systems being studied consist of several compositions of AlCoCrMnTiV with 4 6 component elements. These alloys are all predicted by CALPHAD simulation to have a single-phase BCC crystal structure and low density, with some compositions displaying ordered, nanoscale precipitates. This presentation will briefly discuss alloy design and synthesis before giving a detailed description of the characterization studies of these HEAs in both the pristine state and post-irradiation by low-energy heavy ions to high damage levels. Electron microscopy techniques to quantify elemental homogeneity and composition, determine grain size, shape, and orientation, and quantify lattice parameters, defect structures and precipitate phases are all being used to study alloy microstructures. Mechanical properties of the alloys at the microscale will be reported. The evolution of these properties as a function of radiation damage will also be described. Bulk thermal characteristics of these HEAs have been tested to measure specific heat capacity and coefficient of thermal expansion as a function of temperature. To determine bulk tensile properties a miniature tensile testing apparatus is under development; it s commissioning will be covered briefly. The talk will conclude with our plans for alloy down-selection.

Burleigh, A. [Fermilab]↗
DOE OSTI2024

Above room temperature multiferroic and magnetoelectric properties of (1‐Φ) PZTFT‐Φ CZFMO particulate composites

Magnetoelectric (ME) composites of suitable ferroelectric and magnetic materials can display elevated magnetic and ferroelectric operational temperatures, along with substantial ME coupling, compared to conventional single-phase multiferroics. Herein, we describe the synthesis of (1-Φ) PZTFT-Φ CZFMO, Φ = 0.1, 0.2, 0.3 (PZTFT: [0.6(PbZr 0.53 Ti 0.47 O 3 )–0.4(PbFe 0.5 Ta 0.5 )O 3 ] CZFMO: Co 0.6 Zn 0.4 Fe 1.7 Mn 0.3 O 4 )] particulate (0–3) composites and report on the magnetic as well as ferroelectric phase transitions and magnetoelectric coupling. The phase formation and the induced strain in these composites are investigated via Raman spectroscopy. A large bifurcation of the zero-field cooled-field cooled magnetization curves confirms the highly anisotropic behavior of the composites. These curves also identify spin glass behavior in the CZFMO phase at ≈230 K. The magnetic phase transition of the composite (Φ = 0.2) is reported to be ≈532 (± 10) K. The temperature dependent dielectric data displays the ferroelectric phase transitions from the PZTFT phase and the broad relaxation peak from the CZFMO phase. The quadratic relationship between the magneto-capacitance and the magnetization confirms the existence of biquadratic magnetoelectric coupling in the systems. The collective results are consistent with the presence of a direct magneto-electric effect in the composites, i.e., by the application of magnetic field, the magnetic phase is strained, and this induced strain is responsible for changes of ferroelectric order parameter in the piezoelectric phase. As a result, this attribute makes the current composite structure a promising candidate for multiferroic data storage and processing technologies.

Bhoi, Krishnamayee↗