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DOE OSTI2026

Laser-heated diamond anvil cell synthesis and recovery of metastable MnSb 2 and YbZn 2 for post-synthesis transport studies

The creation and exploration of new materials under extreme pressure–temperature conditions has become increasingly reliant on laser-heated diamond anvil cell (LHDAC) techniques, which provide direct access to previously unexplored regions of multinary phase diagrams. Whereas numerous high-pressure phases have been identified in situ, systematic recovery and post-synthesis physical property characterization of these materials remain significant challenges. In this work, we describe the setup and implementation of an LHDAC-based synthesis and recovery workflow and demonstrate its application to metastable MnSb 2 and YbZn 2 phases. Synchrotron x-ray diffraction and spatial mapping confirm dominant formation of the targeted phases, whereas laboratory-based refinement quantifies phase fractions despite intrinsic microstrain and minor secondary phases. High-pressure transport measurements on recovered samples reveal pressure-tunable electronic instabilities in both systems. In MnSb 2 , pressure suppresses two high-temperature magnetic ordering anomalies, observed in transport, by ∼5 GPa and, for higher pressures, induces a new low-temperature feature that increases with further pressure increase. In hexagonal high-pressure YbZn 2 , an electronic reconstruction emerges at ∼11 GPa, characterized by semiconducting-like behavior from ∼30 to 300 K and a broad low-temperature coherence crossover near 30 K. Our results establish LHDAC synthesis not only as a structural discovery tool but also as an experimental platform for investigating correlated quantum states stabilized far from equilibrium thermodynamic conditions.

Huyan, S. [Iowa State University, Ames, IA (United↗

DOE OSTI2025

Terahertz conductivity of two-dimensional materials: a review

Two-dimensional (2D) van der Waals materials are shaping the landscape of next-generation devices, offering significant technological value thanks to their unique, tunable, and layer-dependent electronic and optoelectronic properties. Time-domain spectroscopic techniques at terahertz (THz) frequencies offer noninvasive, contact-free methods for characterizing the dynamics of carriers in 2D materials. They also pave the path toward the applications of 2D materials in detection, imaging, manufacturing, and communication within the increasingly important THz frequency range. In this paper, we overview the synthesis of 2D materials and the prominent THz spectroscopy techniques: THz time-domain spectroscopy, optical-pump THz-probe technique, and optical pump–probe THz spectroscopy. Through a confluence of experimental findings, numerical simulation, and theoretical analysis, we present the current understanding of the rich ultrafast physics of technologically significant 2D materials: graphene, transition metal dichalcogenides, MXenes, perovskites, topological 2D materials, and 2D heterostructures. Finally, we offer a perspective on the role of THz characterization in guiding future research and in the quest for ideal 2D materials for new applications.

2D materials↗

NASA NTRS2008

Circuit with a Switch for Charging a Battery in a Battery Capacitor Circuit

A circuit for charging a battery combined with a capacitor includes a power supply adapted to be connected to the capacitor, and the battery. The circuit includes an electronic switch connected to the power supply. The electronic switch is responsive to switch between a conducting state to allow current and a non-conducting state to prevent current flow. The circuit includes a control device connected to the switch and is operable to generate a control signal to continuously switch the electronic switch between the conducting and non-conducting states to charge the battery.

Stuart, Thomas A.↗

NASA NTRSDate not supplied

In-Situ Scanning Electron Microscope Experiments for Microscale Mechanical Testing and Validated Modeling of Fiber Reinforced Thermoplastics

A novel, in-situ, scanning electron microscope (SEM) mechanical testing capability for materials at the microscale which provides experimental validation to a machine learning (ML) toolset for full-field validation of physics-based micromechanics models is being developed by researchers at NASA Glenn Research Center. These are enabling technologies for the integration of multiscale digital twins for materials into system level models which will result in the improved performance, material discovery, reduced production cost and time, rapid characterization, and prognostic structural health monitoring (SHM) for materials and structures for extreme environments in support of NASA space exploration missions. In order to bridge the material structure-to-system gap for digital twins, physics-based models must be experimentally validated at multiple length scales. Seminal microscale experiments, conducted at the Air Force Research Laboratory (AFRL), were limited to transverse compression of single-layer, unidirectional thermoset polymer matrix composite (PMC) micropillar specimens [1]. The early phases of the current project followed those initial results and setup to reproduce the compression testing of PMC material on the custom-built piezoelectric actuated micromechanical testing rig built by MicroTesting Solutions LLC. In this work, samples of thermoplastic PMC material were first machined into 3 mm cubes, and then further machining and final milling was done using a Focused Ion Beam (FIB). The initial experiment was done on a pillar roughly 20 µm x 20 µm x 40 µm tall. Additional pillars were milled with final sizes ranging from 20 µm x 20 µm x 40 µm tall to 40 µm x 40 µm x 65 µm tall. A speckle pattern for in-situ full-field measurements using Digital Image Correlation (DIC) was applied with platinum, which was coated on the surface, and then the FIB was used to mill away some of the coating to produce an irregular pattern of Pt on the pillar surface. The samples were loaded into the custom testing rig and placed into the SEM and loaded under compression until failure. Images were collected in the SEM during testing. Post-processing of the images was conducted using DIC to obtain full-field displacement and strain measurements elucidating the role of the matrix as well as fiber-fiber interaction at the microscale within the composite subjected to compression loading well into the non-linear regime of the material. Moreover, the evolution of fiber-matrix debonding and matrix cracking is observed in-situ at the microscale. This data, along with images segmented with a newly developed ML toolset [2], was used to create and validate physics-based micromechanics models. An image of the failed micropillar is shown in Figure 1. The techniques developed in the initial compression experiment was tailored to the validation needs of the models and expanded to include different sized samples as well as possibly tension and fatigue.

Laura Wilson↗

DOE OSTI2026

Activation dynamics of a water-soluble human mu-opioid receptor

The mu-opioid receptor (MOR), a class A G protein-coupled receptor mediates opioid analgesia and remains a central target for pain therapeutics. While crystal structures of MOR exist, they provide limited insight into the receptor’s dynamic conformational landscape underlying function. Here, we engineered a thermostable water-soluble MOR variant (wsMOR) that retains native-like ligand-binding and activation dynamics. This variant enables high-yield production and detailed solution-phase structural studies that are challenging with membrane-embedded MOR, providing a valuable tool for studying receptor activation and aqueous-phase drug screening. Using a combined computational and experimental approach, we performed long-timescale all-atom molecular dynamics simulations together with neutron scattering and single-molecule FRET, revealing a structurally stable receptor with a diverse ensemble of conformations at different temporal resolutions. In the ligand-free state, wsMOR displayed high conformational flexibility, which decreased upon agonist binding, particularly in transmembrane helix 6, a hallmark of G protein-coupled receptor activation. Positive allosteric modulation and G protein binding further stabilized active-like states. These findings highlight wsMOR’s conformational plasticity across picosecond to millisecond timescales and provide a foundation for structure-guided development of next-generation opioid ligands with improved efficacy and safety.

E, Agyemang [University of Tennessee Knoxville]↗

NASA NTRS2003

Introduction to Radiation Issues for International Space Station Extravehicular Activities: Chapter 1

The International Space Station (ISS) provides significant challenges for radiation protection of the crew due to a combination of circumstances including: the extended duration of missions for many crewmembers, the exceptionally dynamic nature of the radiation environment in ISS orbit, and the necessity for numerous planned extravehicular activities (EVA) for station construction and maintenance. Radiation protection requires accurate radiation dose measurements and precise risk modeling of the transmission of high fluxes of energetic electrons and protons through the relatively thin shielding provided by the space suits worn during EVA. Experiments and analyses have been performed due to the necessity to assure complete radiation safety for the EVA crew and thereby ensure mission success. The detailed characterization described of the material and topological properties of the ISS space suits can be used as a basis for design of space suits used in future exploration missions. In radiation protection practices, risk from exposure to ionizing radiation is determined analytically by the level of exposure, the detrimental quality of the radiation field, the inherent radiosensitivity of the tissues or organs irradiated, and the age and gender of the person at the time of exposure. During low Earth orbit (LEO) EVA, the relatively high fluxes of low-energy electrons and protons lead to large variations in exposure of the skin, lens of the eye, and tissues in other shallow anatomical locations. The technical papers in this publication describe a number of ground-based experiments that precisely measure the thickness of the NASA extravehicular mobility unit (EMU) and Russian Zvezda Orlan-M suits using medical computerized tomography (CT) X-ray analysis, and particle accelerator experiments that measure the minimum kinetic energy required by electrons and photons to penetrate major components of the suits. These studies provide information necessary for improving the understanding of the current ISS space suits and provide insights into improved approaches for the design of future suits. This chapter begins with a summary of the dynamic ionizing radiation environment in LEO space and introduces the concepts and quantities used to quantify exposure to space radiation in LEO. The space suits used for EVA and the experimental partial human phantom are described. Subsequent chapters report results from measured charged particle fields before and after incident protons and secondary particles are transported through the space suits and into organs and tissues.

M R Shavers↗

DOE OSTI2026

Superconductivity in Ruddlesden–Popper nickelates: a review of recent progress, focusing on thin films

The discovery of superconductivity with Tc ∼ 80 K in the nickelate Ruddlesden-Popper bilayer La3Ni2O7 at high pressure has opened a new platform for unconventional superconductivity, followed by the subsequent observation of superconductivity in trilayer La4Ni3O10, also at high pressure. Remarkably, ambient-pressure superconductivity was also observed recently in La3Ni2O7 ultra-thin films when grown on substrates that provide compressive strain. This discovery significantly extends the type of experimental techniques that can be used in nickelates, previously limited due to the high-pressure constraint. Discussing the similarities and differences among these nickel oxides will provide new insights into understanding the mechanism of high-Tc superconductivity in correlated electron systems. In this paper, we review the experimental and theoretical progress on Ruddlesden–Popper nickelates, with emphasis on thin films, and discuss future perspectives and research directions.

Zhang, Yang [ORNL] (ORCID:0000000336235883)↗

DOE OSTI2025

Interwoven magnetic kagome metal overcomes geometric frustration

Magnetic kagome materials provide a platform for exploring magneto-transport phenomena, symmetry breaking and charge ordering driven by the intricate interplay among electronic structure, topology and magnetism. Yet geometric frustration in conventional kagome magnets limits their tunability. Here we propose a design strategy for interweaving quasi-one-dimensional magnetic Tb zigzag chains with non-magnetic Ti-based kagome bilayers in TbTi 3 Bi 4 . Comprehensive spectroscopic analyses reveal coexisting elliptical-spiral magnetic and spin-density-wave orders accompanied by a large ~90 meV band-folding gap. The combined magnetic and electronic state leads to a giant anomalous Hall conductivity of 10 5 Ω −1 cm −1 , which exceeds that observed in frustrated kagome analogues. These results establish TbTi 3 Bi 4 as a model system of magnetic kagome metals with strong electron–magnetism interactions and underscore the necessity of interweaving designed magnetic and charge layers separately to achieve tunable transport properties. This design strategy will enable the discovery of emergent quantum states and next-generation electronic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Spin‐Polarized Interfaces Redirect CO 2 Reduction From CO to Formate

Achieving high product selectivity in electrocatalytic carbon dioxide reduction (CO 2 RR) remains a critical challenge due to competition between multiple proton-coupled electron-transfer pathways on catalyst surfaces. Meanwhile, chirality-induced spin selectivity (CISS), which enables spin-polarized electron transport through chiral interfaces, has recently emerged as a promising strategy to modulate interfacial electrochemical reactions. Although the CISS effect has been shown to enhance selectivity and efficiency in the spin-sensitive oxygen evolution reaction (OER), its role in regulating CO 2 RR pathways and in stabilizing intermediates remains largely unexplored. Here, chiral molecules (R- and S-1,1′-bi-2-naphthyl-2,2′-diyl hydrogen phosphate, BNP) were integrated with SnO 2 to construct chiral-modified catalysts (R-BNP/SnO 2 and S-BNP/SnO 2 ). Compared with bare SnO 2 and racemic BNP-modified SnO 2 (Rac-BNP/SnO 2 ), the chiral catalysts exhibited a pronounced shift in product selectivity from CO toward formate production. Importantly, in-situ attenuated total reflectance surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS) reveals that the chiral interface selectively stabilizes the O-bound *OCHO intermediate associated with the formate pathway and modulates interfacial water structure and hydrogen-bonding dynamics. These findings demonstrate that spin-polarized interfacial electron transfer can regulate CO 2 RR pathway selectivity by modulating the stabilization of key intermediates. More broadly, this work establishes chiral spin-selective interfaces as a new strategy for regulating competitive electrocatalytic reaction pathways.

14 SOLAR ENERGY↗

DOE OSTI2025

Low-energy calibration of SuperCDMS HVeV cryogenic silicon calorimeters using Compton steps

Cryogenic calorimeters for low-mass dark matter searches have achieved sub-eV energy resolutions, driving advances in both low-energy calibration techniques and our understanding of detector physics. The energy deposition spectrum of gamma rays scattering off target materials exhibits step-like features, known as Compton steps, near the binding energies of atomic electrons. Here, we demonstrate a successful use of Compton steps for sub-keV calibration of cryogenic silicon calorimeters, utilizing four SuperCDMS High-Voltage eV-resolution detectors operated with 0 V bias across the crystal. This new calibration at 0 V is compared with the established high-voltage calibration using optical photons. The comparison indicates that the detector response at 0 V is about 30% weaker than expected, highlighting challenges in detector response modeling for low-mass dark matter searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Kondo effect in ferromagnetic quantum critical CeRh 6 ⁢Ge 4

The mechanism of a pressure-induced quantum critical point in the heavy fermion ferromagnet CeRh 6 ⁢Ge 4 has attracted interest, as ferromagnetic quantum criticality in a clean itinerant Ce compound is typically avoided. The localized versus itinerant character of the 4⁢𝑓 electrons is a key aspect for understanding this behavior. We investigated the electronic structure of the 4⁢𝑓 shell in CeRh 6 ⁢Ge 4 using core-level photoelectron and x-ray absorption spectroscopy, demonstrating the hybridization of Ce 4⁢𝑓 with the conduction electrons. Linearly polarized x-ray absorption reveals a temperature-dependent linear dichroism consistent with the crystal-electric-field sequence as inferred from the static susceptibility. This dichroism cannot be described by an ionic full-multiplet model alone, but is reproduced by including the Kondo effect within a single-impurity Anderson model in the noncrossing approximation. The Kondo effect mixes higher-lying crystal-field states into a resulting multiorbital ground state with 4⁢𝑓 occupancy, 𝑛 𝑓 ∼ 0.9. Deviations at low temperatures between the measured linear dichroism and calculated dichroism suggest an orbital-dependent Kondo effect. A scenario in which there is a multiorbital ground state and orbital-dependent Kondo hybridization should be a starting point for a model of pressure-induced criticality in CeRh 6 ⁢Ge 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Quantum mechanical dataset of 836k neutral closed-shell molecules with up to 5 heavy atoms from C, N, O, F, Si, P, S, Cl, Br

Abstract We introduce the Vector-QM24 (VQM24) dataset comprehensively covering all possible neutral closed-shell small organic and inorganic molecules with up to five heavy (p-block) atoms: C, N, O, F, Si, P, S, Cl, Br. All valid stoichiometries, Lewis-rule-consistent graphs, and stable conformers (identified via GFN2-xTB) were enumerated combinatorially, yielding 577k conformational isomers spanning 258k constitutional isomers and 5,599 unique stoichiometries. DFT (ωB97X-D3/cc-pVDZ) optimizations were performed for all, and diffusion quantum Monte Carlo (DMC@PBE0(ccECP/cc-pVQZ)) energies are provided for 10,793 lowest-energy conformers with up to 4 heavy atoms. VQM24 includes structures, vibrational modes, rotational constants, thermodynamic properties (Gibbs free energies, enthalpies, ZPVEs, entropies, heat capacities), and electronic properties such as atomization, electron interaction, exchange-correlation, dispersion energies, multipole moments (dipole to hexadecapole), alchemical potentials, Mulliken charges, and wavefunctions. Machine learning models of atomization energies on this dataset reveal significantly higher complexity than QM9, with none achieving chemical accuracy. VQM24 offers a rigorous, high-fidelity benchmark for evaluating quantum machine learning models.

Science & Technology - Other Topics↗

DOE OSTI2024

The multifunctional use of an aqueous battery for a high capacity jellyfish robot

The batteries that power untethered underwater vehicles (UUVs) serve a single purpose: to provide energy to electronics and motors; the more energy required, the bigger the robot must be to accommodate space for more energy storage. By choosing batteries composed primarily of liquid media [e.g., redox flow batteries (RFBs)], the increased weight can be better distributed for improved capacity with reduced inertial moment. Here, we formed an RFB into the shape of a jellyfish, using two redox chemistries and architectures: (i) a secondary ZnBr 2 battery and (ii) a hybrid primary/secondary ZnI 2 battery. A UUV was able to be powered solely by RFBs with increased volumetric (Q~ 11 ampere-hours per liter) and areal (108 milliampere-hours per square centimeter) energy density, resulting in a long operational lifetime (T~ 1.5 hours) for UUVs composed of primarily electrochemically energy-dense liquid (~90% of the robot’s weight).

Science & Technology - Other Topics↗

NASA NTRSDate not supplied

Dynamic Analysis of Reynolds Number Effects on Trailing Edge Transonic Vortex Shedding and Its Impact on Turbine Blade Aerodynamic Performance

In this work, we will discuss observations from images acquired from a time-resolved, high-speed self-aligned focusing Schlieren campaign that was performed at the CW-22 facility at NASA Glenn Research Center to understand the dynamic behavior of thick trailing-edge high-pressure turbine blades simulating a ceramic matrix composite (CMC) construction at high inlet turbulence conditions. For the CMC-9 blade, which has a trailing edge thickness of 9% of the axial chord, we identified a regime where an excessive total pressure loss (loss anomaly) is observed only for a narrow range of Reynolds numbers at a fixed exit Mach number of 0.74. The loss anomaly is qualitatively explained by our images, which were taken at 10 distinct blade Reynolds numbers spanning a factor of 6. The images show a significant increase in energy related to the oscillations due to transonic vortex shedding at the Reynolds numbers related to the high loss conditions. This increased energy leads to the formation of strong acoustic waves that turn into shock waves at the highest loss conditions. From our observations stemming from Spectral POD analysis of the high-speed images, we see the acoustic waves produced by the trailing edge vortex shedding exist in all conditions tested; but the shedding frequency has a very slight trend upwards as the Reynolds number is increased, varying about 6% in the range tested. Considering this variation of shedding frequency as a function of Reynolds number, which is well-established for other bluff-body flows, we stipulate there may be a potential feedback mechanism involving an acoustic information transfer path across neighboring blades that may explain why only a narrow range of Reynolds numbers displays strong, shock-forming vortex shedding. We consider a few feedback paths and examine the timing based on the mean flow field from a high-resolution LES simulation. It appears that all feedback mechanisms are viable, presenting an integer number of delay cycles with respect to disturbances generated at the trailing edge. Most noteworthy, however, is the acoustic/shock-boundary layer interaction mechanism at the blade geometric throat. Based on our analysis, this mechanism likely plays an important role in realistic, curved turbine blade passages.

Aerodynamics↗

NASA NTRS1994

New Trends in Coatings Developments for Turbine Blades: Materials Processing and Repair

Turbine engines for aeronautic applications now have to face strenuous requirements concerning not only operating performances but also reliability and repairability. This evolution of the specifications induces important consequences regarding the choice and the design of turbine blade protective coatings. This paper presents several key features concerning the deposition techniques and the real-life behavior of such coatings: (1) complex aluminides well suited to the protection against high temperature oxidation and hot corrosion of directionally solidified nickel-base superalloy turbine blades; (2) ceramic coatings used as thermal barriers - they have to exhibit both high resistance to thermomechanical fatigue and adequate smoothness; (3) processing techniques for thermal barriers, including plasma spraying, electron beam physical vapor deposition and plasma enhanced chemical vapor deposition; and (4) blades and coatings repair techniques.

S Alpérine↗

NASA NTRS1992

NASA Aerospace Flight Battery Systems Program: An Update

The major objective of the NASA Aerospace Flight Battery Systems Program is to provide NASA with the policy and posture to increase and ensure the safety, performance, and reliability of batteries for space power systems. The program was initiated in 1985 to address battery problems experienced by NASA and other space battery users over the previous ten years. The original program plan was approved in May 1986 and modified in 1990 to reflect changes in the agency's approach to battery related problems that are affecting flight programs. The NASA Battery Workshop is supported by the NASA Aerospace Flight Battery Systems Program. The main objective of the discussions is to aid in defining the direction which the agency should head with respect to aerospace battery issues. Presently, primary attention in the Battery Program is being devoted to issues revolving around the future availability of nickel-cadmium batteries as a result of the proposed OSHA standards with respect to allowable cadmium levels in the workplace. The decision of whether or not to pursue the development of an advanced nickel-cadmium cell design and the qualification of vendors to produce cells for flight programs hinges on the impact of the OSHA ruling. As part of a unified Battery Program, the evaluation of a nickel-hydrogen cell design options and primary cell issues are also being pursued to provide high performance NASA Standards and space qualified state-of-the-art cells. The resolution of issues is being addressed with the full participation of the aerospace battery community.

Manzo, Michelle A.↗

DOE OSTI2023

Reconfigurable Cascaded Thermal Neuristors for Neuromorphic Computing

While the complementary metal-oxide semiconductor (CMOS) technology is the mainstream for the hardware implementation of neural networks, an alternative route is explored based on a new class of spiking oscillators called “thermal neuristors”, which operate and interact solely via thermal processes. Utilizing the insulator-to-metal transition (IMT) in vanadium dioxide, a wide variety of reconfigurable electrical dynamics mirroring biological neurons is demonstrated. Notably, inhibitory functionality is achieved just in a single oxide device, and cascaded information flow is realized exclusively through thermal interactions. To elucidate the underlying mechanisms of the neuristors, a detailed theoretical model is developed, which accurately reflects the experimental results. In conclusion, this study establishes the foundation for scalable and energy-efficient thermal neural networks, fostering progress in brain-inspired computing.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Evaluating Crystallinity in Thermoplastic Composites for Aerospace Applications

Polymer matrix composites (PMCs) offer many benefits for the aerospace industry due to their potential for weight reduction when compared to metal or ceramic based materials. Most PMCs currently in flight use thermoset matrices, however, thermoplastic resins are being explored as alternatives due to their ability to be remelted, which is of particular interest due to the potential for in-situ repair and faster production. Most thermoplastic resins are semicrystalline polymers. The properties of semicrystalline thermoplastics are directly influenced by their crystallinity, which can vary due to many factors including thermal treatments, environmental conditions, and mechanical deformation. Within thermoplastic PMC parts, crystallinity gradients can arise due to variations in part geometry, across part thicknesses, and along bonded joints. Monitoring the crystallinity of thermoplastic composites is key to ensuring these materials meet the high demands required for aerospace. Several different analytical techniques exist that can be used to characterize the bulk crystallinity of thermoplastic materials. However, many existing methods lack the specificity required to identify the subtle variations in crystallinity that may play a significant role in the performance and durability of PMC parts. Because of this, a significant amount of work is still required to fully characterize and understand the crystallinity profiles of thermoplastic PMCs and the resulting impact to material properties. This talk discusses the use of multiple techniques such as Differential Scanning Calorimetry, Polarized Light Optical Microscopy, and Fourier-Transform Infrared Spectroscopy to characterize the crystallinity in carbon fiber/thermoplastic composites. Samples of different crystallinity profiles were manufactured using various cooling procedures. This work aims to provide the fundamental data necessary to understand the effects of crystallinity on thermoplastic PMCs, which is key to advancing their use in aerospace applications.

Thermoplastics↗