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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A First Demonstration of the SQUAT Detector Architecture: Direct Measurement of Resonator-Free Charge-Sensitive Transmons

The Superconducting Quasiparticle-Amplifying Transmon (SQUAT) is a new sensor architecture for THz (meV) detection based on a weakly charge-sensitive transmon directly coupled to a transmission line. In such devices, energy depositions break Cooper pairs in the qubit capacitor islands, generating quasiparticles. Quasiparticles that tunnel across the Josephson junction change the transmon qubit parity, generating a measurable signal. In this paper, we present the design of first-generation SQUATs and demonstrate an architecture validation. We summarize initial characterization measurements made with prototype devices, comment on background sources that influence the observed parity-switching rate, and present experimental results showing simultaneous detection of charge and quasiparticle signals using aluminum-based SQUATs.

Magoon, H. [SLAC; KIPAC, Menlo Park; Stanford U., ↗
DOE OSTI2025

In-device Battery Failure Analysis

Lithium-ion batteries are indispensable power sources for a wide range of modern electronic devices. However, battery lifespan remains a critical limitation, directly affecting the sustainability and user experience. Conventional battery failure analysis in controlled lab settings may not capture the complex interactions and environmental factors encountered in real-world, in-device operating conditions. Here, this study analyzes the failure of commercial wireless earbud batteries as a model system within their intended usage context. Through multiscale and multimodal characterizations, the degradations from the material level to the device level are correlated, elucidating a failure pattern that is closely tied to the specific device configuration and operating conditions. The findings indicate that the ultimate failure mode is determined by the interplay of battery materials, cell structural design, and the in-device microenvironment, such as temperature gradients and their fluctuations. This holistic, in-device perspective on environmental influences provides critical insights for battery integration design, enhancing the reliability of modern electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Decoding THz‐Driven Dynamic Fingerprints of Ferroelectric Nanotwin Networks

Ultrafast polarization dynamics in ferroelectrics are of considerable interest for high-speed tunable dielectrics and electro-optics. Extended domain wall networks formed in ferroelectric twin nanodomains can support collective dynamics in the terahertz regime but require techniques that track polarization and strain evolution driven by ultrafast stimulus. Here, we use multi-modal probing of THz-pulse-driven excitations in PbTiO 3 /SrTiO 3 superlattices by combining X-ray free electron laser measurements that directly tracks lattice changes, with optical second harmonic generation that tracks the electronic potential coupled with the lattice potential. Dynamical phase-field modeling enables fingerprinting of these collective modes as superpositions of domain “breathing” through wall oscillations and polarization “rotations” with still walls. Ultrafast domain wall motion at 0.1–0.5 THz is observed at practical fields of 100 kV/cm with wall velocities of >4000 m/s, approaching typical speed of sound in PbTiO 3 . A unique “charging” mode is discovered that can electrically charge and discharge domain walls on ∼4 ps time scale thus dynamically tuning wall conductivity. Integrated experimental and theoretical fingerprinting of the dynamical landscape presented here enables ultrafast control of ferroics for high-speed microelectronics and optical applications.

THz dynamics↗
DOE OSTI2025

CO 2 Oxidative Ethane Dehydrogenation on CeO 2 /SiO 2 ‐Supported NiFe 3 Catalysts

CO 2 -assisted oxidative dehydrogenation of ethane is a sustainable alternative to steam cracking for ethylene production. In this study, a series of CeO 2 on SiO 2 supported NiFe 3 catalysts were synthesized by incipient wetness impregnation and tested for oxidative dehydrogenation performance. The CeO 2 /SiO 2 supported catalysts with high weight loading of CeO 2 (50%–75%) provided higher activity than the lower CeO 2 (0%–25%) loaded catalysts (with ethylene production rates of 0.62–0.98 µmol/g cat /s and 0.19–0.3 µmol/g cat /s, respectively) while maintaining high ethylene selectivity (43%–45%). In contrast, the NiFe 3 supported on only CeO 2 also exhibited high activity (ethylene production rate of 0.71 µmol/g cat /s), but the ethylene selectivity (16%) was greatly decreased compared to the mixed system. Temperature programmed reduction, X-ray diffraction, and Raman spectroscopy all indicate the creation of a solid solution of the Fe and Ni doped into the CeO 2 crystal structure in the catalysts with high CeO 2 loading/bulk CeO 2 support. Here, the high ethylene selectivity in the high CeO 2 loading catalysts indicates that the Fe is preferentially creating the solid solution, with the decrease in selectivity observed in the CeO 2 -only supported catalyst likely resulting from CeO 2 interacting directly with Ni, creating Ni-CeO X interfaces that are known active sites for the unwanted side reaction of dry reforming.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Temperature-dependent solid electrolyte interphase reactions drive performance in lithium-mediated nitrogen reduction to ammonia

The solid electrolyte interphase (SEI) is a vital component to control mass transport and selectivity in the lithium-mediated reduction of N 2 to NH 3 (Li-N 2 R). Finding strategies that generate the optimal SEI, a complex network of organic and inorganic species, can potentially improve Li-N 2 R performance. Here, we unravel structure-property relationships of the SEI by correlating its composition with the NH 3 faradaic efficiency (FENH3). By modifying the reaction temperature, we alter electrolyte decomposition reactions and observe changes in the SEI that explain FE NH3 trends between electrolyte solvents. We quantify a complex reaction environment at elevated temperatures where SEI formation is counteracted by etching reactions. This tradeoff leads to temporal fluctuations of FE NH3 , but the maximal FE NH3 can reach up to 40%, the highest value reported for batch cells at ambient pressure, thus far. In conclusion, our work underscores the potential of novel electrolytes that steer SEI selectivity and, ultimately, improve Li-N 2 R performance.

electrocatalytic nitrogen reduction↗
DOE OSTI2024

Implicit neural representations for experimental steering of advanced experiments

Scattering measurements using electrons, neutrons, or photons are essential for obtaining microscopic insights into materials. However, limited facility availability and high-dimensional scattering data necessitate more efficient experimental steering techniques. Here, we report a machine learning method that guides scattering data collection and facilitates real-time estimation of model parameters, given a reliable forward model to simulate experimental signals. We employ implicit neural representations as efficient surrogates that link model parameters with simulated spectroscopies. This enables a Bayesian optimal experimental design framework to estimate the probability distributions of parameters from high-dimensional scattering data. We demonstrate the proposed method using inelastic neutron scattering with simulated and real experimental data, highlighting the method’s ability to provide real-time parameter estimation with quantified uncertainties and to deliver informed experimental guidance that reduces experimental time while maximizing scientific output. This approach paves the way for accelerated discoveries in condensed matter through scattering measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reconciling the Different Apparent Decay Pathways for Iron(III) Tetraphenylporphyrin Chloride: Evidence for Excited State Branching

Detailed understanding of the photophysical properties of metalloporphyrins is key to rationally exploiting them in a variety of applications ranging from photocatalysis to opto-magnetics. Previous studies of the ferric-tetraphenylporphyrin chloride have provided contradictory descriptions of the excited state evolution. Optical transient-absorption suggested initial formation of a ππ* excited state, followed by ligand-to-metal charge-transfer (LMCT) from the porphyrin ring and then decay on the ∼2 ps time scale to a metal-centered excited state that had a lifetime of ∼15 ps. In contrast, femtosecond extreme ultraviolet transient-absorption at the Fe M 2,3 -edge, while agreeing on the initial formation of an LMCT state, found evidence that this decayed in ∼2 ps to the ground state. Here, we have used K-edge transient X-ray absorption and X-ray emission, together with time-resolved X-ray solution scattering to explore this system. Based on these data, we propose a new model, consistent with both the earlier and the current data, in which photoexcited FeTPPCl evolves through three different states on the LMCT manifold, with the ∼2 ps decay now seen to involve a branching between return to the ground state (∼70%) and formation of a long-lived LMCT state (∼30%).

Excited states↗
DOE OSTI2026

Translating Fundamental Insights into Ag-Based Bimetallic Electrocatalysts to Anion-Exchange Membrane Fuel Cells

To address challenges of high costs and scalability for fuel cells, it is essential to develop af-fordable and earth-abundant materials that are Pt-group-metal (PGM)-free. Recent advance-ments in PGM-free electrocatalysis for the oxygen reduction reaction (ORR) in alkaline media show that high catalyst loadings are needed to achieve high reaction rates; however, there are associated mass transport limitations. To address this issue, we develop low-loading ionomer-less Ag-bimetallic thin films by alloying with 3d block elements or Sn. We bridge knowledge from fundamental rotating disk electrode (RDE) studies to gas-diffusion cathodes in high-temperature anion-exchange membrane fuel cells (HT-AEMFCs), resulting in high-activity ORR catalysis and peak power densities up to 1.2 W cm-² geo for the Ag-Sn and Ag-Co alloys. Here, experimental post-characterization and theoretical calculations reveal small Co or Sn oxide nano-islands on Ag as likely active sites enhancing ORR activity, ultimately offering these low-loading PGM-free ORR materials as a viable path towards sustainable energy conversion.

Catalysts↗
DOE OSTI2025

Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging

Structure-sensitive methods based on femtosecond light or electron pulses are now making it possible to measure how molecular structures change during light-induced processes. Despite significant progress, high-fidelity imaging of nuclear positions remains a challenge even for relatively small molecular systems and, notably, regarding the positions of hydrogen atoms. As demonstrated in recent work, X-ray-induced Coulomb explosion imaging (CEI) may overcome this obstacle, as its sensitivity does not depend on the mass of the imaged atoms. The photoinduced ring opening of the heterocyclic molecule 2(5 H )-thiophenone has attracted recent interest. Here, in this work, we show that CEI offers a powerful route to imaging the peripheral H atoms in this molecule and thus, more generally, to tracking detailed nuclear motions (e.g., isomerizations) in organic molecules on ultrafast time scales. Specifically, we record momentum-space Coulomb explosion images that report on the three-dimensional positioning of all nuclei within the molecule, for instance, distinguishing H atoms in C–H bonds that lie within or are directed out of the plane defined by the heavy atoms. The prospect of imaging peripheral H atoms to probe photochemical dynamics is explored by coupling ab initio molecular dynamics with classical Coulomb explosion simulations, thereby differentiating potential photoproduct isomers, including those whose structures primarily differ in the position of the hydrogens.

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

Probing the atomic dynamics of ultrafast melting with femtosecond electron diffraction

Melting is an every-day phase transition that is determined by thermodynamic parameters like temperature and pressure. In contrast, ultra-fast melting is governed by the microscopic response to a rapid energy input and, thus, can reveal the strength and dynamics of atomic bonds as well as the energy flow rate to the lattice. Accurately describing these processes remains challenging and requires detailed insights into transient states encountered. Here, we present data from femtosecond electron diffraction measurements that capture the structural evolution of copper during the ultrafast solid-to-liquid phase transformations. At absorbed energy densities 2-4 times the melting threshold, melting begins at the surface slightly below the nominal melting point followed by rapid homogeneous melting throughout the volume. Molecular dynamics simulations reproduce these observations and reveal a weak electron-lattice energy transfer rate for the given experimental conditions. Both simulations and experiments show no indications of rapid lattice collapse when its temperature surpasses proposed limits of superheating, providing evidence that the inherent dynamics limits the speed of disordering in ultrafast melting of metals.

FOS: Physical sciences↗
DOE OSTI2025

HydroX, a light dark matter search with hydrogen-doped liquid xenon time projection chambers

Experimental efforts searching for dark matter particles over the last few decades have ruled out many candidates led by the new generation of tonne-scale liquid xenon. For light dark matter, hydrogen could be a better target than xenon as it would offer a better kinematic match to the low mass particles. This article describes the HydroX concept, an idea to expand the dark matter sensitivity reach of large liquid xenon detectors by adding hydrogen to the liquid xenon. We discuss the nature of signal generation in liquid xenon to argue that the signal produced at the interaction site by a dark matter–hydrogen interaction could be significantly enhanced over the same interaction on xenon, increasing the sensitivity to the lightest particles. We discuss the technical implications of adding hydrogen to a xenon detector, as well as some background considerations. Finally, we make projections as to the potential sensitivity of a HydroX implementation and discuss next steps.

Experimental particle physics↗
DOE OSTI2024

Decoupling first-cycle capacity loss mechanisms in sulfide solid-state batteries

Solid-state batteries (SSBs) promise more energy-dense storage than liquid electrolyte lithium-ion batteries (LIBs). However, first-cycle capacity loss is higher in SSBs than in LIBs due to interfacial reactions. The chemical evolution of key interfaces in SSBs has been extensively characterized. Electrochemically, however, we lack a versatile strategy for quantifying the reversibility of solid electrolyte (SE) redox for established and next-generation SSB electrolytes. In this work, we perform tailored electrochemical tests and operando X-ray diffraction to disentangle reversible and irreversible sources of capacity loss in positive electrodes composed of Li 6 PS 5 Cl SE, Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 (NMC), and carbon conductive additives. We leverage an atypically low voltage cutoff (2.0 V vs. Li/Li + ) to quantify the reversibility of SE redox. Using slow (5.5 mA g NMC −1 ) cycling paired with >100 h low-voltage holds, our cells achieve a surprising 96.2% first-cycle coulombic efficiency, which is higher than previously reported (mean: 72%, maximum: 91.6% across surveyed literature). We clarify that sluggish NMC relithiation kinetics have been historically mistaken for permanently irreversible capacity loss. In conclusion, through systematic decoupling of loss mechanisms, we uncover the unexpected reversibility of SE redox and isolate the major contributors to capacity loss, outlining a strategy for accurate assessment of next-generation SE materials and interface modifications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

High-power test of a C-band linear accelerating structure with an RFSoC-based LLRF system

Normal conducting linear particle accelerators consist of multiple rf stations with accelerating structure cavities. Low-level rf (LLRF) systems are employed to set the phase and amplitude of the field in the accelerating structure and to compensate for the pulse-to-pulse fluctuation of the rf field in the accelerating structures with a feedback loop. The LLRF systems are typically implemented with analog rf mixers, heterodyne-based architectures, and discrete data converters. There are multiple rf signals from each of the rf stations, so the number of rf channels required increases rapidly with multiple rf stations. With a large number of rf channels, the footprint, component cost, and system complexity of the LLRF hardware will increase significantly. To meet the design goals of being compact and affordable for future accelerators, we have designed the next-generation LLRF (NG-LLRF) with a higher integration level based on RFSoC technology. The NG-LLRF system samples rf signals directly and performs rf mixing digitally. Further, the NG-LLRF has been characterized in loopback mode to evaluate the performance of the system and has also been tested with a standing-wave accelerating structure, a prototype for the Cool Copper Collider (C 3 ) with a peak rf power level up to 16.45 MW. The loopback test demonstrated amplitude fluctuation below 0.15% and phase fluctuation below 0.15°, which are considerably better than the requirements of C 3 . The rf signals from the different stages of the accelerating structure at different power levels are measured by the NG-LLRF, which will be critical references for the control algorithm designs. The NG-LLRF also offers flexibility in waveform modulation, so we have used rf pulses with various modulation schemes, which could be useful for controlling some of the rf stations in accelerators. In this paper, the high-power test results at different stages of the test setup will be summarized, analyzed, and discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Effects of stoichiometry and epitaxial strain on the stabilization of infinite-layer nickelates

The discovery of superconductivity in infinite-layer nickelates has sparked great interest due to their potential analogy with the unconventional cuprate superconductors. However, investigations of this system have been limited by the challenges in materials control and synthesis driven by substantial thermodynamic instability, making it difficult to reach an experimental consensus. Hence, establishing a robust synthetic route to highly crystalline infinite-layer nickelates is of paramount importance. Here, we present and discuss recent progress on the reproducible two-step synthesis of (Nd,Sr)NiO2 via the stabilization of high-quality perovskite nickelates and the subsequent topotactic transition to the infinite-layer phase. In particular, we discuss the important factors, such as cation stoichiometry and epitaxial strain, which significantly impact the crystallinity of both phases, accompanied by careful structural characterization. These results on robust synthesis can help accelerate the experimental investigation of the intrinsic physical properties of these complex strongly correlated materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Physics-guided dual implicit neural representations for source separation

Significant challenges exist in efficient data analysis of most advanced experimental and observational techniques because the collected signals often include unwanted contributions, such as background and signal distortions, that can obscure the physically relevant information of interest. To address this, we have developed a self-supervised machine-learning approach for source separation using a dual implicit neural representation framework that jointly trains two neural networks: one for approximating distortions of the physical signal of interest and the other for learning the effective background contribution. Our method learns directly from the raw data by minimizing a reconstruction-based loss function without requiring labeled data or pre-defined dictionaries. We demonstrate the effectiveness of our framework by considering a challenging case study involving large-scale simulated, as well as experimental, momentum-energy-dependent inelastic neutron scattering data in a four-dimensional parameter space, characterized by heterogeneous background contributions and unknown distortions to the target signal. The method is found to successfully separate physically meaningful signals from a complex or structured background even when the signal characteristics vary across all four dimensions of the parameter space. An analytical approach that informs the choice of the regularization parameter is presented. Our method offers a versatile framework for addressing source separation problems across diverse domains, ranging from superimposed signals in astronomical measurements to structural features in biomedical image reconstructions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Optically accessible high-finesse millimeter-wave resonator for cavity quantum electrodynamics with atom arrays

Cavity quantum electrodynamics (QED) is a powerful tool in quantum science, enabling preparation of nonclassical states of light and scalable entanglement of many atoms coupled to a single field mode. While the most coherent atom-photon interactions have been achieved using superconducting millimeter-wave cavities coupled to Rydberg atoms, these platforms so far lack the optical access required for trapping and addressing individual atomic qubits. We present a millimeter-wave Fabry-Pérot cavity with finesse 5.8⁢(1) ×10 7 at a temperature of 1 K providing generous transverse optical access (numerical aperture 0.56). Conflicting goals of strong atom-photon coupling and optical access motivate a near-confocal geometry. Close to confocality, however, postparaxial corrections to the cavity spectrum introduce unexpected degeneracies between transverse modes, leading to excess cavity loss. Modeling these corrections allows for tuning the cavity geometry to evade this loss, producing a high finesse that will enable cavity QED experiments with trapped atoms deep in the strong coupling regime.

Zhang, Tony [Stanford Univ., CA (United States); S↗
DOE OSTI2026

Multiplet lines in seeded stimulated Mn 𝐾⁢𝛼 1 x-ray emission

We report the successful resolution of the multiplet structure of 𝐾⁢𝛼 1 x-ray emission in manganese (Mn) complexes through seeded stimulated x-ray emission spectroscopy (seeded S-XES). Using a femtosecond pump pulse above the Mn 𝐾 edge to generate simultaneous 1⁢𝑠 core holes, and a second-color tunable seed pulse to initiate the stimulated emission process, we were able to enhance individual lines within the 𝐾⁢𝛼 1 emission. This approach allows to resolve the fine multiplet features that are obscured by lifetime broadening in conventional (spontaneous) Mn 𝐾⁢𝛼 XES. The work builds on our previous observation that S-XES from Mn(II) and Mn(VII) complexes pumped at high intensities can exhibit stimulated emission without sacrificing the chemical sensitivity to oxidation states. Furthermore, this technique opens the door to controlled high-resolution electronic structure spectroscopy in transition-metal complexes beyond the core-hole lifetime, with potential applications in catalysis, inorganic chemistry, and materials science.

Chemical Physics & Physical Chemistry↗
DOE OSTI2025

Optical interference effect in strong-field electronic coherence spectroscopy

Here, we investigate strong-field-induced electronic coherences in argon and molecular nitrogen ions created by high-intensity, few-cycle infrared laser pulses. This is a step toward the long-sought goal of strong-field coherent control in molecular chemistry. We employ high-intensity, few-cycle infrared laser pulses in a pump-probe setup to investigate a recent prediction that electronic coherences in nitrogen molecules change the ion yields versus pump-probe delay. [Yuen et al., Phys. Rev. A 109, L011101 (2024)]. The predicted coherence signals in molecular nitrogen could not be resolved above the optical interference of the pump and probe pulses; a simultaneous measurement clearly resolved the induced cation fine-structure coherence in strong-field-ionized argon. The results of our comparison with simulations suggest that optical interference effects manifest differently in each ionic species and must be carefully accounted for when interpreting experimental data. We find that nonsequential double ionization in the low-intensity region of the focal volume can reduce the visibility of coherence generated by two-pulse sequential ionization, and we quantify the importance of pulse shape and spectral characteristics for isolating the desired coherence signals.

charge migration↗