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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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677 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-throughput micro-scale bandgap mapping for perovskite-inspired materials with complex composition space

Abstract To realize the full promise of high-throughput experimental workflows, the rate of sample synthesis must be matched by that of characterization. Of growing interest are contactless optical techniques that can rapidly measure material homogeneity and properties. Here, we present a hyperspectral imaging method to measure local optical bandgap distributions within samples, utilizing spatially-resolved reflectance spectra coupled with automated data analysis. We collect approximately one million optical bandgap data across the compositional space of Cs 3 (Bi x Sb 1-x ) 2 (Br y I 1-y ) 9 perovskite-inspired materials. Our results show non-monotonic bandgap variations (i.e., bandgap bowing) along six composition gradient sequences, in addition to identifying samples with multiple bandgaps in statistics. High-throughput transient absorption spectroscopy reveals that within these compositions, the depletion of the ground state carriers to excited states occurred at discrete energy levels with independent carrier dynamics, consistent with the bandgap observation and indicative of phase separation. This work demonstrates the potential for rapid optical measurements to assess material quality and homogeneity in a high-throughput experimental setting, supporting screening and recipe optimization of optoelectronic material candidates with desired carrier dynamics and optical properties.

Science & Technology - Other Topics↗
DOE OSTI2026

Accelerating actinium-225 purification by high-pressure ion chromatography

Actinium-225 (t1/2 = 9.92 days) is an important radioisotope for targeted alpha therapy applications. The limited supply obtained through the decay of thorium-229 has motivated accelerator-based production routes, including irradiation of thorium targets. Irradiated targets can produce useful quantities of actinium-225, but the product requires final purification from chemically similar lanthanide contaminants. This work describes an automated high-pressure ion chromatography method for this final polishing step. The method uses a reusable strong-acid cation-exchange column bearing sulfonic acid functional groups. α-Hydroxyisobutyric acid (α-HIBA), adjusted to pH 4.3 with lithium hydroxide, complexes and elutes lanthanides, a dilute hydrochloric acid matrix-exchange step removes residual α-HIBA, and concentrated hydrochloric acid then elutes retained actinium(III). The protocol purified actinium-225 to >99% radiopurity across tracer-level samples and samples containing >150 µCi (5.6 MBq) of activity. A 10 min, 0.1 M hydrochloric acid matrix exchange substantially reduced organic eluent carryover, and in-line sodium iodide detection enabled real-time monitoring of actinium and lanthanide elution. The developed method can be completed in <1 h and provides a basis for automated purification workflows for accelerator-produced actinium-225.

Gaddis, Kevin [ORNL] (ORCID:0000000183398314)↗
DOE OSTI2025

Multireference diffusion Monte Carlo reaches 2D materials

Abstract Quantum confinement in 2D materials strongly enhances electronic correlation effects. Therefore, predicting the properties of these unique materials, with both a high level of accuracy and computational efficiency, without relying on adjustable parameters or functionals, remains an outstanding theoretical challenge. The majority of theoretical studies are based on the approximations of density functional theory (DFT). The reliability of DFT predictions are heavily dependent on the choice of an approximated exchange-correlation functional. Here, we estimate the magnitude of impact of correlation on the total energy for the quintessential 2D material, graphene, by performing and comparing state-of-the-art selected CI and quantum Monte Carlo extrapolated calculations for a single unit cell at the$$\Gamma$$point. We demonstrate that Self-Healing Diffusion Monte Carlo (SHDMC) obtains a very compact, but high-quality wavefunction for this system that lacks the strong basis set dependence displayed by state of the art quantum chemistry methods. The SHDMC wavefunction is of higher quality compared to that obtained from sCI, in the same orbital basis, while being$$\sim$$ 1000 times smaller in terms of determinant count compared to sCI. We also demonstrate that extrapolating SHDMC results to the infinite determinant limit compares extremely well with complete basis set extrapolated sCI. Our work paves the way for future validation of SHDMC applied to challenging 2D materials.

Science & Technology - Other Topics↗
DOE OSTI2026

Gold Quantum Rods: Modulation of Singlet and Triplet Exciton Populations by the Rod Length

Abstract Gold quantum rods (QRs) of Au60, Au78, Au96, and Au114 (protected by thiolate ligands) exhibit exclusive fluorescence, which is different from the shorter Au42 QR with dual emission (fluorescence + phosphorescence). Herein, we report the excitation wavelength-dependent near-infrared-II photoluminescence (PL) and exciton dynamics of this series of QRs. Interestingly, the fluorescence quantum yield (QY) of the QRs is much higher (2–10×) when the lowest singlet excited state (S1) is excited compared to the excitation of high-lying states (Sn). A metastable intermediate singlet state (denoted S′) is identified by transient absorption spectroscopy when Sn is excited, and this S′ state leads to fast “skybridge” intersystem crossing (ISC), which contributes primarily (>60%) to the total triplet population. With increasing aspect ratio (AR) of QRs (from 6.3 to 18.7), nonradiative processes accelerate, leading to fast decay of the S1 state (hence, less QY) and of the T1 state (barely phosphorescent). A detailed energy flow mechanism is determined for the QRs after photoexcitation, which offers a design principle for manipulation of exciton dynamics toward potential utilization of higher excited states in applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Massive red spiral galaxies in SDSS-IV MaNGA survey

ABSTRACT Massive red spiral galaxies (MRSGs) are supposed to be the possible progenitors of lenticular galaxies (S0s). We select a large sample of MRSGs ($M_*\gt 10^{10.5}\rm {\rm M}_{\odot }$) from Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) DR17 using the g − r colour versus stellar mass diagram, along with control samples of blue spirals and S0s. Our main results are as follows: (1) After comparing the Sérsic index, concentration parameter, asymmetry parameter distribution, size–mass relation, and Σ1 (stellar mass surface density within the central 1 kpc)−mass relation, we find MRSGs are similar to S0s and have more compact and symmetric structures than blue spirals. MRSGs also resemble S0s in Dn4000, metallicity, Mgb/$\rm \left\langle Fe \right\rangle$, and V/σ radial profile. (2) By using MaNGA 2D spectra data, we separate the spatial regions into inner (R < 0.8Re) and outer (0.8 < R < 1.5Re) regions, and detect residual star formation in the outer regions of MRSGs. (3) When we select a sub-sample of MRSGs with NUV − r > 5, we find that they are completely star formation quenched in both inner and outer regions. Compared to optically selected MRSGs, NUV − r selected MRSGs appear to be more concentrated and have more massive dark matter haloes. The similarities between S0s and MRSGs suggest the possible evolutionary trend between MRSGs and S0s.

Astronomy & Astrophysics↗
DOE OSTI2026

Quantum control of Hubbard excitons

Quantum control of the many-body wavefunction is a central challenge in quantum materials research, as it could yield a precise control knob to manipulate emergent phenomena. Floquet engineering, the coherent dressing of quantum states with periodic non-resonant optical fields, has become an important strategy for quantum control. Most applications to solid-state systems have targeted weakly interacting or single-ion states, leaving the manipulation of many-body wavefunctions largely unexplored. Here, in this work, we use Floquet engineering to achieve quantum control of a strongly correlated Hubbard exciton in the one-dimensional Mott insulator Sr 2 CuO 3 . A nonresonant midinfrared optical field coherently dresses the exciton wavefunction, driving its rotation between bright and dark states. We use resonant third-harmonic generation to quantify ultrafast π/2 rotations on the Bloch sphere spanned by these exciton states. Our work advances the quest towards programmable control of correlated states and exciton-based quantum sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Advancing Protein Display on Bacterial Spores through an Extensive Survey of Coat Components

The profound stability of bacterial spores makes them a promising platform for biotechnological applications like biocatalysis, bioremediation, drug delivery, etc. However, though the Bacillus subtilis spore is composed of >40 types of proteins, only ∼12 have been explored as fusion carriers for protein display. Here, we assessed the suitability of 33 spore proteins (SPs) as enzyme display carriers by direct allele tagging at native genomic loci. Of the 33 SPs investigated, 26 formed functional fusions with β-glucuronidase (GUS)─a ∼272 kDa homotetramer. This almost triples the number of SPs assessed for enzyme display and doubles the number of functional fusions documented in the literature. We quantitatively assessed 1) SP promoter activation dynamics, 2) GUS activity on spores, 3) surface availability, and 4) protection from thermal and proteolytic degradation. Multicopy expression and pairwise coexpression of the most promising SP-GUS fusions highlighted the complexity of spore structure/assembly and the difficulty in predicting compatibility between different SP fusions. We also assessed the suitability of engineered spores to degrade PET (polyethylene terephthalate) films and found that surface-exposed SPs were most effective. Beyond the broad survey, a key outcome of our work was the identification of SscA (small spore coat assembly protein A) as an effective spore display carrier. SscA supported enzyme activity at least 4-fold higher than any other SP, including the well-established anchor, CotY. We attribute this to its promoter, which demonstrated early and sustained activation relative to other SPs and its small size (∼3 kDa), which likely minimally interferes with enzyme folding, oligomerization, and activity. Labeling and genetic studies, its hydrophobic nature, and low surface availability suggest that SscA assembles within the inner spore coat, which makes it stabilizing and suitable for many biocatalytic applications. Overall, this work serves as a knowledge base to advance the biotechnological utility of B. subtilis spores.

Bacillus subtilis↗
DOE OSTI2024

Handbook of Molecular Beam Epitaxy of Oxide Materials: Epitaxial Complex Oxide Growth on Semiconductors

This chapter covers the epitaxy of complex oxides on common inorganic semiconductors. The chapter opens with an introduction, motivating the subject and highlighting key general challenges (Section 6.1). We then proceed to describe the general steps of the growth procedure in Section 6.2, which concludes with an overall discussion about trade-offs and expectation management, with an emphasis on the oxide–semiconductor interface. From there, the text describes oxide growth on the common semiconductors, starting with silicon (Section 6.3), where surface reactions and oxidation are the most challenging aspects. Oxide epitaxy on germanium is described in Section 6.4, which is a less challenging oxide growth scheme on semiconductors. Section 6.5 describes oxide epitaxy on gallium arsenide, one of the more challenging schemes, where interface stability and surface preparation pose key challenges. Finally, in Section 6.6, oxide epitaxy on gallium nitride is described, where the lattice mismatch takes the stage as the key challenge. Altogether, this chapter aims to provide the reader with the practical knowledge, tactics and strategies for oxide epitaxy on semiconductors.

Demkov, Alexander A [The University of Texas at Au↗
DOE OSTI2026

Multitarget Rydberg gates via spatial blockade engineering

Multi-target gates offer the potential to reduce gate depth in syndrome extraction for quantum error correction. Although neutral-atom quantum computers have demonstrated native multi-qubit gates, existing approaches that avoid additional control or multiple atomic species have been limited to single-target gates. We propose single-control-multi-target CZ^n gates on a single-species neutral-atom platform that require no extra control and have gate durations comparable to standard CZ gates. Our approach leverages tailored interatomic distances to create an asymmetric blockade between the control and target atoms. Using a GPU-accelerated pulse synthesis protocol, we design smooth control pulses for CZZ and CZZZ gates, achieving fidelities of up to 99.55% and $99.24\%$, respectively, even in the presence of simulated atom placement errors and Rydberg-state decay. Our approach is most effective for N=2 (CZZ) and N=3 targets (CZZZ); for larger N, increasing spatial crowding of the targets introduces significant challenges for maintaining the required blockade asymmetry. This work presents a practical path to implementing low-overhead multi-target gates in single-species neutral-atom systems, significantly reducing the resource overhead for syndrome extraction. To motivate the impact of these gates, we apply a greedy scheduling algorithm and we demonstrate that our proposed gates can reduce the number of atom reconfiguration costs by up to 50% for color code syndrome extraction of code distances greater than 5.

Stein, Samuel A.↗
DOE OSTI2026

A stable high-humidity bubbler design to supply steam for solid oxide electrolysis cells

A stable steam supply is required for the operation of solid oxide electrolysis cells. Heated water bubblers are the most common method due to the simplicity and inherent safety of the method, however, several design challenges hinder effective implementation. Here, a stable and validated bubbler design is presented, capable of achieving very high steam concentrations, relatively high flow rates, and continuous operation. A piping and instrumentation diagram and bill of materials are provided to enable easy duplication. Critical design parameters are discussed, including safety considerations and materials requirements, which are applicable to any bubbler design. The practical implementation of bubblers is also presented, including methods to prevent condensation instability and reduce backpressure to achieve a stable steam supply. The 3″ x 6″ (7.6 cm × 15.2 cm) bubbler achieves up to 98% steam balance hydrogen at 200 sccm and up to 1 slpm at 96% steam.

08 - HYDROGEN↗
DOE OSTI2026

Upper ocean mixing, surface heat fluxes, and heat content variability in the upper 150 m during Hurricane Laura (2020)

Observations (from thermistor sensors and a hurricane glider) and model-based temperature were used to answer questions including the following: 1) What physical and environmental conditions explain the rapid intensification of Hurricane Laura? 2) How did the pre-existing warm mixed layer at Stone mooring (StM) influence the degree of cooling in the mixed layer? 3) How did vertical mixing, surface heat fluxes, and advective processes collectively shape the mixed layer heat evolution at StM? Observations measured by thermistor sensors showed that Hurricane Laura induced a cooling of -1.2oC in the mixed layer when Hurricane Laura’s wind speed increased to 47 m/s on 26 August. This contrasts with the -1.04oC mixed layer temperature change estimated from model-based temperature. At StM, the presence of a 31oC warm mixed layer and elevated heat content (60-80kJ/cm2) effectively preconditioned the upper ocean ahead of Hurricane Laura’s passage. After Hurricane Laura passed, turbulent mixing associated with the storm transported the heat anomalies downward into subsurface layers. In addition, this study shows that a surface heat flux of 5.04 kJ/cm2 supported the intensity of Hurricane Laura as it traversed over the StM. Using a mixed layer heat balance model, this study shows that entrainment flux and surface flux mostly contributed to the observed change in the mixed layer temperature.

Tsai, Senam↗
DOE OSTI2026

Boron-Based Neutron Scintillator Screen Characterization with X-Rays and Neutrons

Recent work on boron-based neutron scintillator screens suggests these screens can offer superior performance when compared to commonly used screens. Borated neutron scintillator screens perform well in terms of light output (5-6 times greater than a standard Gadox screen) and detection effi-ciency (larger than standard LiF+ZnS screens). However, previously manu-factured boron-based screens have exhibited non-uniform surface coating and a poor mixture between phosphor and converter particles. The objective of this work was to evaluate newly fabricated scintillator screens to deter-mine if enhanced fabrication methods produced a more homogeneous distribution between neutron converter and scintillation phosphor particles. Uniformity of scintillator material deposition was also inspected. This new iteration of screens appeared more uniform than previous generations with the new coating method improving surface chemistry and scintillator material homogeneity. Additionally, a new methodology for screen characterization, involving the correlation of a neutron image taken with a borated scintillator screen to X-ray computed tomography of that same screen, was demonstrated to elucidate a relationship between scintillator screen thickness and relative light output of the screen under neutron exposure. This method suggested that the ideal thickness of scintillator material was ~150 µm to maximize light output of the screen.

36 - MATERIALS SCIENCE↗