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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Density of molten oxides measured in an aero-acoustic levitator

Knowing the thermophysical properties of high-temperature melts can aid the design of melt processes and validate atomic structural models, such as those used in studying glass formation. Property measurements on such melts are challenging, however, due to container-related contamination and heterogeneous nucleation. Containerless processing techniques that employ levitation can be used to avoid these obstacles. In that context, we demonstrate here the application of silhouette imaging to measure the density of molten oxides in an aero-acoustic levitation instrument (AAL). The AAL combines gas jet levitation with actively controlled acoustic positioning to enable full optical access to samples ca. 2–4 mm in diameter, which are laser beam heated and melted. The cross sections of molten drops are imaged using a monochromatic light source and narrowband-filtered camera. Melt volume is calculated from the cross sections and used to find density at several temperatures ranging 1530–1920 K, including up to 350 K of supercooling. We report densities for CaAl 2 O 4 , Ca 12 Al 14 O 33 , CaSiO 3 , their Fe 2 O 3 -bearing analogs, and 83TiO 2 -17RE 2 O 3 (RE = La or Nd). These provide important benchmarks of the capabilities, measurement uncertainties, and future outlook for this technique.

36 MATERIALS SCIENCE↗
DOE OSTI2024

An integrated atom array-nanophotonic chip platform with background-free imaging

Arrays of neutral atoms trapped in optical tweezers have emerged as a leading platform for quantum information processing and quantum simulation due to their scalability, reconfigurable connectivity, and high-fidelity operations. Individual atoms are promising candidates for quantum networking due to their capability to emit indistinguishable photons that are entangled with their internal atomic states. Integrating atom arrays with photonic interfaces would enable distributed architectures in which nodes hosting many processing qubits could be efficiently linked together via the distribution of remote entanglement. However, many atom array techniques cease to work in close proximity to photonic interfaces, with atom detection via standard fluorescence imaging presenting a major challenge due to scattering from nearby photonic devices. Here, we demonstrate an architecture that combines atom arrays with up to 64 optical tweezers and a millimeter-scale photonic chip hosting more than 100 nanophotonic cavities. We achieve high-fidelity ( ~ 99.2%), background-free imaging in close proximity to nanofabricated cavities using a multichromatic excitation and detection scheme. The atoms can be imaged while trapped a few hundred nanometers above the dielectric surface, which we verify using Stark shift measurements of the modified trapping potential. Finally, we rearrange atoms into defect-free arrays and load them simultaneously onto the same or multiple devices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Zero-Power Analog Optical Processing

The motivation behind this research is the growing challenge of handling the massive amounts of data generated by modern imaging systems. Conventional digital image processing techniques are struggling to keep pace with the demands of high-resolution and high-speed imaging systems for remote sensing due to their high-power consumption and data storage requirements. We present a novel approach based on analog photonics to address this challenge. The proposed system utilizes a silicon-photonics-based image encoder positioned after image formation and initial optical-to-electrical conversion. The photonic encoder compresses image data using a passive disordered photonic structure to perform kernel-type random projections of the raw data. The compressed data is then processed by a back-end neural network, which reconstructs the original image with high fidelity (structural similarity exceeding 90%). Our proposed approach has the potential to compress images with ~ 1000X lower power consumption compared to digital approaches with data rates exceeding 1 terapixel/second.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

33 Unresolved Questions in Nanoscience and Nanotechnology

Significant advances in science and engineering often emerge at the intersections of disciplines. Nanoscience and nanotechnology are inherently interdisciplinary, uniting researchers from chemistry, physics, biology, medicine, materials science, and engineering. This convergence has fostered novel ways of thinking and enabled the development of materials, tools, and technologies that have transformed both basic and applied research, as well as how we address critical societal challenges. In this Nano Focus, we pose and explore 33 questions whose answers could profoundly impact fields such as energy, electronics, the environment, optics, and medicine. These questions highlight the need for deeper foundational understanding, improved tools and techniques, and innovative applications─each with significant societal relevance. Together, they represent a global call-to-action for the scientific community.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Nonlinear reversal of photoexcitation on the attosecond time scale improves ultrafast X-ray diffraction images

The complex refractive index of a material governs its light-matter interactions, with intense light fields enabling tailored nonlinear optical responses. In the X-ray regime, rapid photoionization limits the potential of nonlinear techniques by inducing irreversible electronic damage. Here we demonstrate that intense, sub-femtosecond X-ray pulses, shorter than typical Auger decay times, can partially reverse photoexcitation via stimulated emission near atomic resonances. By analyzing thousands of coherent diffraction patterns and ion spectra from neon nanoparticles exposed to sub-fs and 15-fs pulses, we observe enhanced X-ray diffraction alongside reduced energy absorption for sub-fs pulses. Theoretical modeling attributes this to dynamics akin to Rabi flopping that prolong the lifetime of resonant states and suppress electronic bleaching. These findings suggest that ultrashort, intense X-ray pulses enable active control of X-ray refractive index and damage pathways, opening avenues for improved high-resolution imaging and nonlinear spectroscopy in complex nanoscale systems.

Ulmer, Anatoli [Universität Hamburg (Germany)] (OR↗
DOE OSTI2025

Versatile Cell Design for Molten Fluoride Salt Spectroscopy: Investigating Metal-Ion Speciation in Molten Fluoride Salts

Fluoride-based molten salts are widely used in industrial applications including aluminum production, thermal energy storage, optical crystal growth, and advanced nuclear reactor designs. Despite the wide range of uses, fundamental understandings of coordination chemistry and methods for probing molten fluorides are scarce, likely due to the difficulty of probing fluoride melts with spectroscopic techniques. Performing spectroscopic measurements of fluoride-based salts is challenging due to the highly corrosive nature of these salts, which can degrade many common optical materials. Here, in this work, we present a versatile optical cell design that enables spectroscopic measurements of corrosive melts. This innovative cell design overcomes the challenges posed by the corrosive nature of the salts, allowing for an accurate and consistent spectroscopic analysis. This work reports temperature-dependent absorption measurements for Co 2+ , Ni 2+ , and Cr 3+ analytes in LiF-NaF-KF eutectic salt (i.e., FLiNaK), which are common corrosion products originating from structural alloys in molten-fluoride handling. Absorption spectra were used to understand interactions of these analytes with FLiNaK, particularly ligand field coordination. The analysis of absorption spectra was complemented by structural analyses using ab initio molecular dynamics (AIMD) simulations, providing deeper insights into the behavior of the analytes in FLiNaK. Our findings indicate that the analytes studied in this work exist in octahedral or near-octahedral coordination states that remain stable across the temperature range of 500–600 °C. This work not only highlights an applied solution to performing optical spectroscopy in corrosive, high-temperature melts but also provides important fundamental insight on coordination behavior of transition-metal species in molten fluorides.

Fluoride salt spectroscopy↗
DOE OSTI2024

Raman Sideband Cooling of Molecules in an Optical Tweezer Array to the 3D Motional Ground State

Ultracold polar molecules are promising for quantum information processing and searches for physics beyond the standard model. Laser cooling to ultracold temperatures is an established technique for trapped diatomic and triatomic molecules. Further cooling of the molecules to near the motional ground state is crucial for reducing various dephasings in quantum and precision applications. In this work, we demonstrate Raman sideband cooling (RSC) of CaF molecules in optical tweezers to near their motional ground state, with average motional occupation quantum numbers of n ¯ x = 0.16 ( 12 ) , n ¯ y = 0.17 ( 17 ) (radial directions), and n ¯ z = 0.22 ( 16 ) (axial direction), and a 3-D motional-ground-state probability of 54 ± 18 % of the molecules that survive the RSC. This process paves the way to increase molecular coherence times in optical tweezers for robust quantum computation and simulation applications. Published by the American Physical Society 2024

Physics↗
DOE OSTI2024

Spectral and Temperature-Dependent Optical Metrology: Towards More Robust, Effective and Durable Materials for Concentrated Solar Power

The primary objective of this project is to develop reliable and standardized spectroscopic measurement techniques to determine radiative properties, specifically the emittance and reflectance, of materials relevant for the next generation (Gen3) concentrated solar power (CSP) technologies. Experimental measurements will span near- and mid-infrared wavelengths (1–20 µm) with emphasis on quantifying the influences of: (1) operating temperatures of 25–1000 °C, (2) thermal cycling, and (3) environmental exposure of materials during operation (vacuum/air). A secondary goal is to develop open-access and digitized databases to host and share experimental data, together with standardized measurement protocols and operating procedures to determine optical properties of materials. This project will also include reasonable emphasis on developing predictive modeling tools to augment experimental data to extract more fundamental and material-specific radiative properties.

14 SOLAR ENERGY↗
DOE OSTI2024

Improved Three-Dimensional Reconstructions in Electron Ptychography through Defocus Series Measurements

A detailed analysis of ptychography for three-dimensional (3D) phase reconstructions of thick specimens is performed. Here, we introduce multi-focus ptychography, which incorporates a 4D-STEM defocus series to enhance the quality of 3D reconstructions along the beam direction through a higher overdetermination ratio. This method is compared with established multi-slice ptychography techniques, such as conventional ptychography, regularized ptychography, and multi-mode ptychography. Additionally, we contrast multi-focus ptychography with an alternative method that uses virtual optical sectioning through a reconstructed scattering matrix (S-matrix), which offers more precise 3D structure information compared to conventional ptychography. Our findings from multiple 3D reconstructions based on simulated and experimental data demonstrate that multi-focus ptychography surpasses other techniques, particularly in accurately reconstructing the surfaces and interface regions of thick specimens.

3D reconstruction↗
DOE OSTI2025

Using quantum noise correlation analysis to measure ion temperature

Quantum noise correlation analysis was tested at the proof-of-concept level as a technique to measure ion temperature in a plasma. If eventually successful, this technique could enable a compact, inexpensive, and robust ion temperature diagnostic suitable for a burning plasma environment. Ion temperature is a key parameter determining the fusion performance of a burning plasma, as the fusion cross-section has a strong dependence on ion temperature. This ion temperature diagnostic would require only a small optical view of the plasma through a port to passively record impurity line emission. The instrumentation would be remote from the reactor behind the neutron and bio-shielding. The technique relies solely on quantum correlations of the photons emitted by a plasma impurity to measure ion temperature; there is no grating dispersion of an emission line-width or pulse-height analysis of photon energy. This measurement innovation was tested with instrumentation consisting of two single-photon detectors with high timing resolution, a time-tagging unit, and simple light collection optics. This instrumentation measures the second-order correlation between the light intensity falling on the two detectors. The next steps beyond the proof-of-concept level will be development of diagnostic designs for application of this technique to high-temperature and burning plasmas. Arrays of single-photon avalanche detectors to multiplex measurements of photon correlation will be required to reduce signal integration time to an acceptable duration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

High-resolution high-throughput spatiotemporal strain imaging reveals loss mechanisms in a surface acoustic wave device

Surface acoustic wave devices are key components for processing radio frequency signals in wireless communication because these devices offer simultaneously high performance, compact size and low cost. The optimization of the device structure requires a quantitative understanding of energy conversion and loss mechanisms. Here we use stroboscopic full-field diffraction x-ray microscopy to reveal an unanticipated acoustic loss in a prototypical one-port resonator device. A non-uniform acoustic excitation in the active area was responsible for the substantial end and side leakages observed at the design frequency. Quantitative analysis of the strain amplitude using a wave decomposition method allowed the determination of several key device parameters. This high-resolution high-throughput spatiotemporal strain imaging technique is more generally applicable to the study of dynamic strain modulation in nanoscale acoustic, electronic, optical and quantum devices. The high sensitivity allows precise measurement of the strain modulation with picometer-scale amplitude.

Zhou, Tao [ESRF - The European Synchrotron, Grenob↗
DOE OSTI2025

Reliable Determination of Pulses and Pulse-Shape Instability in Ultrashort Laser Pulse Trains Using Polarization-Gating and Transient-Grating Frequency-Resolved Optical Gating Using the RANA Approach

Devices that measure the presence of instability in the pulse shapes in trains of ultrashort laser pulses do not exist, so this task necessarily falls to pulse-measurement devices, like Frequency-Resolved Optical Gating (FROG) and its variations, which have proven to be a highly reliable class of techniques for measuring stable trains of ultrashort laser pulses. Fortunately, multi-shot versions of FROG have also been shown to sensitively distinguish trains of stable from those of unstable pulse shapes by displaying readily visible systematic discrepancies between the measured and retrieved traces in the presence of unstable pulse trains. However, the effects of pulse-shape instability and algorithm stagnation can be indistinguishable, so a never-stagnating algorithm—even when instability is present—is required and is generally important. In previous work, we demonstrated that our recently introduced Retrieved-Amplitude N-grid Algorithmic (RANA) approach produces highly reliable (100%) pulse-retrieval in the second-harmonic-generation (SHG) version of FROG for thousands of sample trains of pulses with stable pulse shapes. Further, it does so even for trains of unstable pulse shapes and thus both reliably distinguishes between the two cases and provides a rough measure of the degree of instability as well as a reasonable estimate of most typical pulse parameters. Here, we perform the analogous study for the polarization-gating (PG) and transient-grating (TG) versions of FROG, which are often used for higher-energy pulse trains. We conclude that PG and TG FROG, coupled with the RANA approach, also provide reliable indicators of pulse-shape instability. In addition, for PG and TG FROG, the RANA approach provides an even better estimate of a typical pulse in an unstable pulse train than SHG FROG does, even in cases of significant pulse-shape instability.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Collider-quality electron bunches from an all-optical plasma photoinjector

We present an approach for generating collider-quality electron bunches using a plasma photoinjector. The approach leverages recently developed techniques for the spatiotemporal control of laser pulses to produce a moving ionization front in a nonlinear plasma wave. The moving ionization front generates an electron bunch with a current profile that balances the longitudinal electric field of an electron beam-driven plasma wave, creating a uniform accelerating field across the bunch. Particle-in-cell (PIC) simulations of the ionization stage show the formation of an electron bunch with 220 pC charge and low emittance (ɛ 𝑥 = 171 nm rad, ɛ 𝑦 = 76 nm rad). Quasistatic PIC simulations of the acceleration stage show that the bunch is efficiently accelerated to 24 GeV over 2 m with a final energy spread of less than 1% and emittances of ɛ 𝑥 = 189 nm rad and ɛ 𝑦 = 80 nm rad. This high-quality electron bunch meets the requirements outlined by the Snowmass process for intermediate-energy colliders and compares favorably to the beam quality of proposed and existing accelerator facilities. The results establish the feasibility of plasma photoinjectors for future collider applications making a significant step toward the realization of high-luminosity, compact accelerators for particle physics research.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations

Quantum technologies, such as quantum computing and sensing, require efficient single-photon emission (SPE) sources that operate at room temperature in telecom wavelengths. While several materials can serve as SPE sources, no single platform meets all the criteria for efficiency, ambient operation, and scalability. Single-walled carbon nanotubes (SWCNTs) with covalently attached molecules offer a promising solution. Their SPE can be easily tuned via modifications of the SWCNT's diameter, chirality, and bonded molecules, enabling emission across near-IR to telecom wavelengths at ambient conditions. However, to fully realize the potential of SWCNTs and unlock their quantum capabilities, a deeper understanding of how structural defects from molecular adducts affect their emission and competing photoexcited processes is essential. To address this gap in our knowledge, this project combined quantum chemistry calculations with data-driven methods of cheminformatics (QSAR) and machine learning (ML). The developed computational approaches have provided several design strategies for covalent functionalization of SWCNTs to improve their optical response. The collaboration with Los Alamos National Lab (LANL) enabled direct comparison of computational and experimental data, facilitating method validation. This partnership was enhanced through access to LANL's Center for Integrated Nanotechnologies (CINT) utilizing User Facility Program and summer internships, which provided three NDSU graduate students with hands-on experience at LANL. The outcomes of this project included (1) Advancing the current stage of computational methods in accurate modeling of non-adiabatic spin-dependent photoexcited dynamics and its applicability to nanosystems consisting of thousands of atoms, realized as open-access codes linked to existing DFT-based software; (2) Establishing the relationship between the structure of adducts and SWCNTs and intrinsic excitonic and spin properties of defect states for guiding novel synthetic strategies and experimental probes of chemically functionalized SWCNTs as near-IR emitting materials; (3) Generating virtual libraries of hypothetical functionalized SWCNTs for virtual screening of their chemical structures and optical properties, leveraging new functionalities of SWCNTs; (4) Offering a unique experience for NDSU graduate students that prepared them for future scientific careers related to materials modeling and big data processing. These results were summarized in 12 published journal papers and 3 recently submitted papers. One of a key finding is that the position of defect sites on the SWCNT surface primarily drives the emission redshift (up to 100 meV), while the polarity of the defect-inducing molecules has a much smaller effect (~10 meV). However, the electron-donating or withdrawing properties of a molecule influence selecting reactivity of defect sites. These insights important for optimizing synthetic protocols for desired emissions in SWCNTs. We also revealed that the interaction between two defects at various positions on the SWCNT enhances the redshift and optical activity of states, favoring strong near-IR emission. This suggests that manipulations in defect concentrations is a promising strategy for controlling efficient emission. Mostly important, the defect position was found controllable by the spin states of photoexcited intermediates: Excited aromatic molecules form ortho defects with SWCNTs at their singlet states in the presence of oxygen, while oxygen-free conditions favor para defects via the triplet-state mechanism. Additionally, a heat-activated [2+2] cycloaddition reaction facilitates divalent defect formation with fewer bonding positions that narrows emission bands. These groundbreaking findings have been experimentally validated and significantly advance our understanding of defect chemistry in SWCNTs. Using a novel encoding technique and 3D-MoRSE descriptors, we developed highly accurate ML/QSAR models to predict both the 3D structure and optical properties of SWCNTs with chemical defects. This model enabled the creation of a virtual library of 125,556 structures, providing new insights into the relationship between SWCNT-defect structure and emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Comparison of Americium(III) and Neodymium(III) Monothiophosphate Complexes

Mixed-donor ligands, such as those containing a combination of O/N or O/S, have been studied extensively for the selective extraction of trivalent actinides, especially Am 3+ and Cm3+, from lanthanides during the recycling of used nuclear fuel. Oxygen/sulfur donor ligand combinations also result from the hydrolytic and/or radiolytic degradation of dithiophosphates, such as the Cyanex® class of extractants, that are initially converted to monothiophosphates. To understand potential differences between the binding of such degraded ligands to Nd 3+ and Am 3+ , the monothiophosphate complexes [M(OPS(OEt) 2 ) 5 (H 2 O) 2 ] 2- (M 3+ = Nd 3+ , Am 3+ ) were prepared and characterized by single crystal X-ray diffraction and optical spectroscopy and studied as a function of pressure up ca. 14 GPa using diamond-anvil techniques. Although Nd 3+ and Am 3+ have nearly identical eight-coordinated ionic radii, these structures reveal that while the M-O bond distances in these complexes are nearly equal that the M-S distances are statistically different. Moreover, for [Nd(OPS(OEt) 2 ) 5 (H 2 O) 2 ] 2- , the hypersensitive 4 I 9/2 → 4 G 5 / 2 transition shifts as a function of pressure by -11 cm -1 /GPa. Whereas for [Am(OPS(OEt) 2 ) 5 (H 2 O) 2 ] 2- , the 7 F 0 → 7 F 6 transition shows a slightly stronger pressure dependence with a shift of -13 cm -1 /GPa and also exhibits broadening of the 5f →5f transitions at high pressures. This data likely indicates an increased involvement of the 5f orbitals in bonding to Am 3+ relative to that of Nd 3+ in these complexes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Hydrodynamic Coupling to a Homogenized Radiation Transport Method based on Young Measures

Resolving radiation transport fields subject to opacity profiles with strong, oscillatory line structure while potentially falling under intermediate optical depth conditions presents a numerical challenge in radiation transport modeling. The Young measure-based homogenization technique formulated by Haut et al. (2017) was investigated as a candidate method for resolving radiation fields under such conditions more accurately. The method was compared against frequently-utilized mean opacity methods as the Rosseland and Planck formulations. In this work, all methods were tested through radiation slab calculations separately comprised of aluminum, copper, and krypton, each for different thermodynamic conditions. Following these offline radiation slab calculations, demonstrations shifted towards the SCEPTRE radiation transport code and, subsequently, the multiphysics ALEGRA code for approximately-coupled radiation-material simulations. Throughout all the simulations shown in this study, for a fixed computational cost, the homogenized method was observed to be more accurate than any of the solutions determined through traditional mean opacity approaches.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Optimized manufacturing process for multilayer two-dimensional focusing mirrors in laboratory X-ray applications

Recent advances in laboratory X-ray applications require high-performance optical components that achieve exceptional imaging resolution and beam uniformity within compact experimental setups. Montel mirrors have become a preferred solution due to their unique dual-reflection focusing mechanism and a space-efficient design. Here, in this study, we present an effective manufacturing process for producing Montel mirrors tailored to focus laboratory X-ray beams. The mirrors were fabricated from single-crystal silicon substrates, chosen for their high mechanical stability and compatibility with precision polishing techniques. Our approach begins with the integration of a deterministic chemo-mechanical polishing (CMP)-based pre-shaping step followed by ion beam figuring (IBF), significantly improving manufacturing efficiency. Subsequently, our custom-developed advanced metrology and IBF techniques were employed for fabricating an off-axis, elliptical cylinder Montel mirror system with a 6-mrad total slope, with stringent optical specifications. While post-IBF processes, including multilayer coating, dicing, and gluing, introduced minor surface errors, yet their impact on performance remained negligible. The Montel mirrors manufactured with the optimized process exhibited significantly improved beam uniformity and a reduced focal spot size. These findings validate our approach as a viable solution for high-precision Montel mirror fabrication and facilitate further advancements in laboratory X-ray applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-throughput and data-driven search for stable optoelectronic AMSe 3 materials

The rapid advancement in emerging optoelectronic technologies demands highly efficient, affordable, and ecofriendly materials. In this context, ternary chalcogenides, especially ternary selenides, show early promise as a material class due to their stability and remarkable electronic, optical, and transport properties. In this work, we integrate first-principles-based high-throughput computations with machine learning (ML) techniques to predict the thermodynamic stability and optoelectronic properties of 920 valency-satisfied selenide compounds. Through investigating polymorphism, our study reveals the edge-sharing orthorhombic Pnma phase (NH 4 CdCl 3 -type) as the most stable structure for most ternary selenides. High-fidelity supervised ML models are trained and tested to accelerate stability and band gap predictions. These data-driven models pin down the most influential features that dominantly control key material characteristics. The multistep high-throughput computations identify the ternary selenides with optimal direct band gaps, light carrier masses, and strong optical absorption edges. The extensive materials screening considering phase stability, toxicity, and defect tolerance, finally identifies the seven most suitable candidates for photovoltaic applications. Two of these final compounds, SrZrSe 3 and SrHfSe 3 , have already been synthesized in a single-phase form, with the latter showing an optically suitable band gap, aligning well with our findings. The non-adiabatic molecular dynamics reveal sufficiently long photoexcited charge carrier lifetimes (on the order of nanoseconds) in some of these selected selenide materials, indicating their exciting characteristics. Overall, our study suggests a robust in silico framework that can be extended to screen large datasets of various material classes for identifying promising photoactive candidates.

36 MATERIALS SCIENCE↗