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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Gepta-EX: a multi-channel germanium detector for X-ray absorption fine structure

Fluorescence-mode X-ray absorption spectroscopy (XAS) at high photon energies requires detectors with high stopping power and excellent energy resolution to measure weak element-specific signals. Traditional silicon-based detectors suffer from poor efficiency above ∼20 keV, while most high-Z materials such as cadmium telluride, cadmium zinc telluride, and gallium arsenide have focused predominantly on imaging applications with limited spectroscopic resolution. In contrast, germanium combines excellent stopping power with superior intrinsic energy resolution due to its low Fano factor and favorable charge transport properties, making it ideal for high-resolution spectroscopy in the 15 keV to 100 keV range. To address these requirements, we report on the development, fabrication, and performance evaluation of Gepta-EX, a compact multi-channel high-purity germanium (HPGe) detector system for fluorescence-mode XAS. The Gepta-EX system features a monolithic seven-channel HPGe pixel array integrated with low-noise CUBE charge-sensitive preamplifiers, housed within a thermally isolated compact cryostat operating near 90 K. The detector achieves energy resolutions of 218 eV at 5.9 keV (from a 55 Fe source) and 373 eV at 59.5 keV (from a 241 Am source), with uniform performance across all channels. By avoiding the escape peak interference commonly associated with silicon detectors and providing stable, high-resolution performance, Gepta-EX represents a powerful tool for high-energy X-ray spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Microscopic Dynamics Controls Coupling and Cluster Formation in Brush Particle Solids

Thermodynamics-based models predict the structure of polymer-grafted nanoparticles (PGNs) as well as their assembly behavior based on geometric parameters such as particle size, degree of polymerization, and density of grafted chains. The role of microscopic polymer dynamics, such as the mobility of repeat units in the melt state, in the evolution of the structure and properties remains unknown. Brillouin light spectroscopy (BLS), due to its capability to concurrently discern the local and global elastic properties of PGN assemblies, enables the probing of microscopic processes, such as brush interdigitation, sensitive to the annealing of the assembly. For poly(methyl methacrylate) (PMMA)-grafted silica (SiO 2 ) PGNs in the dry powder state and annealed above the glass transition temperature, BLS revealed fully reversible local elasticity, indicative of limited interdigitation between adjacent PGNs. This contrasts with polystyrene (PS)−SiO 2 analogs that displayed ready (and irreversible) fusion of brush layers during annealing. The retardation of brush interdigitation in PMMA-grafted systems is surprising, given the similar thermomechanical properties of both polymers, and is rationalized as the consequence of higher friction between PMMA repeats compared to PS. Microscopic dynamics thus has a profound impact on the kinetic path of structure (and property) evolution and thus should be considered during the processing of PGNs into functional hybrid materials.

chemical structure↗
DOE OSTI2026

Characterization of high-flux cadmium zinc telluride detectors coupled to MM-PAD readout ASICs for high-flux X-ray applications

High-flux cadmium zinc telluride (HF-CZT) is a promising material for next-generation X-ray imaging due to its high stopping power, wide bandgap, and improved resistance to radiation-induced polarization [1]. We bonded 2 mm thick HF-CZT sensors with Cornell's Mixed-Mode Pixel Array ASICs, which combine analog charge integration and in-pixel digital counting to achieve single X-ray sensitivity, large full well capacity, and frame rates up to 10 kHz [2,3]. Detector characterization showed stable electron collection above 150 V bias, while hole collection remained limited by trapping even at 700 V. Temporal studies revealed non-negligible afterglow, with an unexpected increase in afterglow at higher biases, which was reduced by infrared illumination, suggesting that injected carriers reduce trapping near contact interfaces. Polarization measurements confirmed improved stability compared to conventional CZT, though polarization effects persisted, particularly with hole collection, with up to 5% signal loss and spatial distortion at high doses.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Rotaxane rings promote oblique packing and extended lifetimes in DNA-templated molecular dye aggregates

Abstract Molecular excitons play a central role in natural and artificial light harvesting, organic electronics, and nanoscale computing. The structure and dynamics of molecular excitons, critical to each application, are sensitively governed by molecular packing. Deoxyribonucleic acid (DNA) templating is a powerful approach that enables controlled aggregation via sub-nanometer positioning of molecular dyes. However, finer sub-Angstrom control of dye packing is needed to tailor excitonic properties for specific applications. Here, we show that adding rotaxane rings to squaraine dyes templated with DNA promotes an elusive oblique packing arrangement with highly desirable optical properties. Specifically, dimers of these squaraine:rotaxanes exhibit an absorption spectrum with near-equal intensity excitonically split absorption bands. Theoretical analysis indicates that the transitions are mostly electronic in nature and only have similar intensities over a narrow range of packing angles. Compared with squaraine dimers, squaraine:rotaxane dimers also exhibit extended excited-state lifetimes and less structural heterogeneity. The approach proposed here may be generally useful for optimizing excitonic materials for a variety of applications ranging from solar energy conversion to quantum information science.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Decoupled few-femtosecond phase transitions in vanadium dioxide

Abstract The nature of the insulator-to-metal phase transition in vanadium dioxide (VO 2 ) is one of the longest-standing problems in condensed-matter physics. Ultrafast spectroscopy has long promised to determine whether the transition is primarily driven by the electronic or structural degree of freedom, but measurements to date have been stymied by their sensitivity to only one of these components and/or their limited temporal resolution. Here we use ultra-broadband few-femtosecond pump-probe spectroscopy to resolve the electronic and structural phase transitions in VO 2 at their fundamental time scales. Our experiments show that the system transforms into a bad-metallic phase within 10 fs after photoexcitation, but requires another 100 fs to complete the transition, during which we observe electronic oscillations and a partial re-opening of the bandgap, signalling a transient semi-metallic state. Comparisons with tensor-network simulations and density-functional theory calculations show these features result from an unexpectedly fast structural transition, in which the vanadium dimers separate and untwist with two different timescales. Our results resolve the structural and electronic nature of the light-induced phase transition in VO 2 and establish ultra-broadband few-femtosecond spectroscopy as a powerful tool for studying quantum materials out of equilibrium.

Science & Technology - Other Topics↗
DOE OSTI2021

Magnetic ordering suppressed phase transformation of a TRIP-HEA during thermal cycling

Transformation-induced plasticity (TRIP) high-entropy alloys (HEAs) have drawn great attention as they present excellent mechanical properties, and their phase stability is critical for the underlying deformation mechanisms and the application temperature range. In this study, the kinetic phase transformation behavior of a dual-phase TRIP-HEA Fe 50 Mn 30 Co 10 Cr 10 (at. %) was probed by in situ neutron diffraction during thermal cycling between 293 and 425 K. Continuous austenitic and martensitic transformation were visualized through the evolution of hexagonal close-packed phase fraction during thermal cycling. Specifically, thanks to the magnetic sensitivity of neutron diffraction, it was found that the martensitic transformation under cooling became suppressed when the antiferromagnetic ordering started at ~326 K. This temperature was further confirmed as the Néel temperature by magnetization measurements. In this work, thermodynamic calculations revealed that the suppression effect on martensitic transformation is attributed to the consumption of the chemical driving force by the magnetic ordering. The magnetic ordering at such relatively high temperature is associated with the high Mn content. These findings shed light on a potential strategy to achieve better mechanical properties of Mn-containing alloys by manipulating the magnetic property through tuning the Mn content.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ultra-sensitive radon assay using an electrostatic chamber in a recirculating system

Rare event searches such as neutrinoless double beta decay and Weakly Interacting Massive Particle detection require ultra-low background detectors. Radon contamination is a significant challenge for these experiments, which employ highly sensitive radon assay techniques to identify and select low-emission materials. This work presents the development of ultra-sensitive electrostatic chamber (ESC) instruments designed to measure radon emanation in a recirculating gas loop, for future lower background experiments. Unlike traditional methods that separate emanation and detection steps, this system allows continuous radon transport and detection. This is made possible with a custom-built recirculation pump. A Python-based analysis framework, PyDAn, was developed to process and fit time-dependent radon decay data. Radon emanation rates are given for various materials measured with this instrument. A radon source of known activity provides an absolute calibration, enabling statistically-limited minimal detectable activities of 20 uBq. These devices are powerful tools for screening materials in the development of low-background particle physics experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Conduction via surface states in antiferromagnetic Mott-insulating Ni S 2 single crystals

Pyrite structure transition-metal disulfides exhibit diverse ground states vs d-band filling, spanning diamagnetic semiconducting, ferromagnetic metallic, antiferromagnetic Mott insulating, and superconducting in FeS 2 , CoS 2 , NiS 2 , and CuS 2 . NiS is particularly interesting and poorly understood as its Mott insulating behavior is accompanied by complex antiferromagnetic ordering below ~38 K and perplexing weak ferromagnetism below ~30 K. Temperature-, pressure-, and composition-dependent insulator-metal transitions also occur, particularly in bandwidth-controlled NiS 2–x Se x , hole-doped Ni 1–x Co x S 2 , etc. Here, we use high-quality chemical-vapor-transport-grown NiS 2 single crystals characterized by x-ray diffraction, energy-dispersive x-ray spectroscopy, magnetometry, and extensive transport and magnetotransport measurements, to generate new insight into this system. In particular, resistivity, magnetoresistance, and Hall effect analyses vs temperature, thickness, and surface preparation, provide unequivocal evidence of surface conduction, where the more conductive surface shunts essentially all current at low temperatures. The surface transport changes from two dimensional and insulating to three dimensional and metallic as the surface preparation is varied (also displaying intriguing sensitivity to magnetic ordering), significantly clarifying literature ambiguities with respect to the electronic ground state. These results have immediate implications. First, the temperature-, pressure-, and composition-dependent insulator-metal transitions deduced in the extensive prior work on NiS 2-x Se x , Ni 1–x Co x S 2 , etc., must clearly be reexamined in light of rife metallic surface conduction, not previously taken into account. Second, NiS 2 now joins FeS 2 and CoS 2 as systems in which bulk and surface electronic behaviors are strikingly different, suggesting that metallic surface states could be a universal feature of pyrite structure transition-metal disulfides.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-Level Reverse Intersystem Crossing and Molecular Rigidity Improve Spin Statistics for Triplet–Triplet Annihilation Upconversion

The structural factors affecting triplet−triplet annihilation (TTA) at the molecular level are not well-understood. Here, our steady-state photoluminescence and transient absorption results demonstrate that the spin statistical factor, η, decreases from 0.60 to 0.46 and 0.14 going from 9,10-diphenylanthracene (DPA) to the 1,5-DPA and 2,6-DPA isomers, respectively, during photon upconversion with a platinum octaethylporphyrin sensitizer. Density functional theory (DFT) shows that η depends on the energetics of hot triplet states and molecular rigidity. The significantly high conical intersection energy between the S 0 and T 1 states for 9,10-DPA gives its longer triplet lifetime. Time-dependent DFT calculations show that 9,10-DPA and 1,5-DPA can undergo high-level reverse intersystem crossing from their T 2 and T 3 states, respectively, to the bright S 1 state, increasing the limit of the spin statistical factor. Both factors ultimately serve to enhance the TTA efficiency. Furthermore, this work provides insight into designing molecules for efficient light-emitting and photon upconversion applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evaluating a Semi-Quantitative, Spectrophotometric Method for the Rapid Determination of Total Rare Earth Element Concentrations in Citrate Leaching Solutions

Quick, reliable methods to measure the rare earth elements (REEs) in process streams are needed to support real-time parameterization and monitoring for a burgeoning number of REE extraction schemes. Such methods would ideally be fast, reproducible, and field-deployable. This study evaluates the feasibility of using a chromogenic indicator, arsenazo(III) (hereafter abbreviated as Arsz(III)) to detect the concentration of REEs in complex citrate leaching solutions using a spectrophotometer. Arsz(III) forms a chromogenic complex with the lanthanide elements that produces a blue/purple color detectable in the visible light range. Matrices of solutions containing varied concentrations of calcium, iron, and lanthanum were scanned in the presence of an Arsz(III) indicator to generate a modeled relationship that could be used to back calculate REE concentrations. While relatively quick (scan times on the order of seconds), the results indicated that the calcium and iron concentrations of typical mining solutions overwhelm the signal of the REEs, to the extent that sensitivity of the method is no less than 50 µM REEs. These results demonstrate the difficulties of accurately measuring trace metals in complex solutions, although the method may still hold utility for processes with significantly lower calcium and iron concentrations or REE concentrations much greater than 50 µM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Advanced antireflection for back-illuminated silicon photomultipliers to detect faint light

Silicon photomultipliers have attracted increasing attention for detecting low-density light in both scientific research and practical applications in recent years; yet the photon losses due to reflection on the light-sensitive planar silicon surface considerably limit its photon detection efficiency. Here we demonstrate an advanced light trapping feature by developing the multi-layer antireflection coatings and the textured silicon surface with upright random nano-micro pyramids, which significantly reduces the reflection of faint light in a wide spectrum, from ultraviolet to infrared. Integrating this advanced photon confinement feature into next-generation back-illuminated silicon photomultiplier would increase the photon detection efficiency with significantly lower reflection and much more active areas. This advanced design feature offers the back-illuminated silicon photomultiplier broader application opportunities exemplified in the emerging scenarios such as nuclear medical imaging, light detection and ranging for autonomous driving, detection of scintillation light in ionizing radiation, as well as high energy physics.

42 ENGINEERING↗
DOE OSTI2025

High-frequency gravitational wave detection by the BREAD experiment

The use of experiments searching for light axion dark matter as high-frequency gravitational wave detectors has garnered increasing attention in recent years. We explore the capabilities of the Broadband Reflector Experiment for Axion Detection (BREAD) in probing the GW parameter space and study the directional dependence of its coverage. This detector can investigate frequencies ranging from 0.05 to 200 THz. We find that by employing single photon detectors, BREAD is sensitive to GWs with characteristic strains as low as 10 −21 at 0.1 THz and 10 −25 at 200 THz with a year exposure time, making it competitive with other proposals operating at similar frequencies.

axions↗
DOE OSTI2024

Quantum sensing for fundamental physics efforts at SQMS

One of the areas of research of the Superconducting Quantum Systems and Materials (SQMS) center is the application of quantum sensing to fundamental physics searches, demonstrating that quantum sensors can greatly improve the sensitivity of experiments searching for Beyond the Standard Model (BSM) physics, or performing high-precision measurements. Theorists have developed many ideas for BSM physics that would result in interactions that can in principle be detected, but with signals small enough that they haven t been observed yet. In this field, the capability to lower the detector s thermal noise to few or dozens of mK, and to use QIS technologies such as Josephson Parametric Amplifiers and photon counters (in-situ or itinerant) enable us to reach unprecedented sensitivities and faster scan rates. Here is presented an overview of the quantum sensing efforts at SQMS [1], focusing on theoretical advancements and experimental searches for Dark Sector particles (as dark matter candidates and not), gravitational waves, and precision measurements. The experiments conducted, or under preparation, include axion dark matter (DM) [2, 3], dark photon DM searches [4,5], light-shining-through-wall experiments [6], cavity-based searches for high frequency gravitational waves [7], and measurements of the electron magnetic moment [8]. [1] Berlin, A., et al. "Searches for new particles, dark matter, and gravitational waves with SRF cavities." arXiv preprint arXiv:2203.12714 (2022). [2] Giaccone, B., et al. "Design of axion and axion dark matter searches based on ultra high Q SRF cavities." arXiv preprint arXiv:2207.11346 (2022). [3] Braggio, C., et al. "Quantum-enhanced sensing of axion dark matter with a transmon-based single microwave photon counter." arXiv preprint arXiv:2403.02321 (2024). [4] Fan, X., et al. "One-electron quantum cyclotron as a milli-eV dark-photon detector." Physical review letters 129.26 (2022): 261801. [5] Cervantes, R., et al. "Deepest sensitivity to wavelike dark photon dark matter with superconducting radio frequency cavities." Physical Review D 110.4 (2024): 043022. [6] Romanenko, A., et al. "Search for dark photons with superconducting radio frequency cavities." Physical review letters 130.26 (2023): 261801. [7] Berlin, A., et al. "Electromagnetic cavities as mechanical bars for gravitational waves." Physical Review D 108.8 (2023): 084058. [8] Fan, X., et al. "Measurement of the electron magnetic moment." Physical review letters 130.7 (2023): 071801.

Giaccone, Bianca↗
DOE OSTI2024

Birefringent Color Filter by Layered Metal‐Organic Chalcogenides: In‐Plane Anisotropy and Odd/Even Effect

Anisotropic 2D materials are gaining interest recently as building blocks for angular‐dependent optical/electrical devices. However, the fundamental understanding of their structure‐property‐relationship is limited, which hinders further modulation of their unique characteristics via structure tailoring. Here the in‐plane structural anisotropy and the tunable optical/electrical properties of a series of radiation‐sensitive (X‐ray, e‐beam) metal‐organic chalcogenide (MOC) single crystals are comprehensively revealed with ligands of variable length/parity. Their monoclinic crystallography is determined at atomic resolution by a simple method that couples X‐ray/electron diffraction with first‐principles calculations. The in‐plane inorganic backbone of the MOCs exhibits a strong lattice anisotropy with odd/even alternations, which originates from that of the out‐of‐plane organic motifs via organic/inorganic accommodation. Such structural anisotropy is implied mechanically by the preferred orientation of crystal cleavage. It triggers a maximum ≈8 × distinction of in‐plane electrical conductivity of the semiconducting MOCs, plus a distinct birefringence (maximum Δn ≈ 0.03) with a dispersive orientation of dielectric axes, which rotate up to 25.7° from UV to visible‐light regime, inspiring an emerging pathway for color filtering via single crystal rotation. Such in‐plane optical characteristics also exhibit odd/even alternation and can be flexibly tuned by the designable out‐of‐plane ligands.

birefringence↗
DOE OSTI2024

Design of a Loss of Coolant Blowdown Capsule for Remote Assembly with High Burnup Fuel

The Transient Water Irradiation System is an enhanced capability capsule type irradiation vehicle designed to support fuel safety research for light water reactor specimens in the Transient Reactor Test Facility and is designed to simulate loss of coolant and reactivity-initiated accidents. The capsule was designed, deployed, and commissioned with fresh fuel specimens to validate instrumentation and prepare for previously irradiated high burnup specimens. The irradiation system features an extensive in-situ instrumentation package to detect phenomena typical to light water reactor fuels. To accommodate the assembly with high burnup specimens inside the Hot Fuel Examination Facility, and to ensure instrumentation integrity is maintained throughout assembly, the design was updated to support remote handling. The updated design features a hinge mechanism which allows for remote pre-irradiated specimen loading and assembly while protecting sensitive instrumentation by relocating during loading. Fixtures and equipment have been developed to handle the experiment capsule and components in cell, and to support remote assembly. The experiment module also includes radiation shielding and contamination control to support operations after removal from the hot cell.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Elevated-Mn ChemCam targets illuminating Mn redox cycling and diagenesis in the Bradbury Rise, Gale Crater, Mars

Manganese plays a crucial role as a paleo-environmental and geological indicator due to its sensitivity to redox potential and pH variations in the environment. On Earth, the association between the rise of atmospheric oxygen during the Great Oxidation Event and the presence of Mn in the sedimentary rock record underscores its significance. Here, in this study, we reexamined ChemCam targets from the first 600 sols of the Mars Science Laboratory mission, focusing on identifying instances of above-average Mn within these targets. These elevated-Mn targets were categorized into distinct geologic classes, revealing a pattern linking heightened Mn levels with diagenetically altered materials, such as calcium-sulfate veins and concretions, as well as clay minerals within the same targets, indicating a compelling relationship between Mn enrichment and diagenetic processes. High concentrations of Mn were observed in chemically altered targets, suggesting the occurrence of multiple fluid events: the first to alter the material and the second to deposit Mn. The observed patterns suggest multiple diagenetic events and redox cycling that facilitated the deposition and transport of Mn subsequent to the initial dissolution of basaltic materials. This research sheds light on the complexity of martian diagenetic processes and their implications for the planet’s environmental evolution.

58 GEOSCIENCES↗
DOE OSTI2026

Deactivating Emission in Azulene via Solvent-Induced (Anti)Aromaticity

Anti-Kasha emission is a coveted feature in optoelectronics, with promise in areas such as imaging, sensing, and the production of white-light LEDs via dual-photon emission. Despite being a rare feature in organic systems, anti-Kasha emission is readily observed in the deceptively simple molecule azulene, which possesses two bright singlet states in the UV–visible spectrum and readily emits from the S 2 state. With dominant anti-Kasha emission and decades of synthetic study, azulene is a perfect candidate for novel material fabrication; however, large gaps persist in understanding the photophysics of even the simple parent compound. These range from competing, experimentally unverified models of azulene reactivity and aromaticity to the unexplained deactivation of anti-Kasha emission in a host of azulene derivatives. Herein, we use fluorescence and transient absorption spectroscopies to explore the detailed solvent dependence of azulene photophysics. We discover a tunable reduction in the S 2 lifetime via weak complexation with aromatic solvents. Interestingly, our results are independent of polarity, highlighting the primacy of peripherally delocalized 10-π Hückel aromaticity over zwitterionic character. When the dipolar character is enhanced through chemical functionalization, we observe even greater sensitivity to solvent aromaticity and more rapid quenching, revealing the role of conical intersections in azulenes with zwitterionic excited states. Overall, this work provides essential mechanistic insight into the photophysics of azulene and reveals a simple new approach to control the excited-state aromaticity and anti-Kasha emission in this class of materials.

Absorption↗