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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electronic Structure and Safety Insights into Prussian Blue Analog Cathode Behavior at Elevated Temperatures in Sodium-Ion Batteries

Prussian blue analogs (PBAs) represent promising cathode materials for sodium-ion batteries (SIBs) due to their high theoretical capacity, open framework structure, and use of earth-abundant elements. However, the high-temperature structural evolution, water content effects, and thermal safety of PBAs, particularly in charged states, remain poorly understood, hindering their practical deployment. Here, we investigate Na 2 Fe[Fe(CN) 6 ]·2H 2 O using thermogravimetric analysis (TGA), ex situ and in situ temperature-dependent X-ray absorption spectroscopy (XAS), and accelerated rate calorimetry (ARC). TGA and ex situ XAS confirm water loss between 150 and 200 °C, resulting in Fe 2+ oxidation, enhanced local symmetry, and uniform redox behavior that improves electrochemical performance. In situ XAS reveals irreversible structural changes above 240 °C, including ligand loss, Fe site distortion, and increased disorder, while ARC on charged electrodes shows minimal self-heating rates (<0.1 °C/min) up to 300 °C, indicating exceptional thermal stability without lattice oxygen release. These insights elucidate PBA thermal dynamics, demonstrating improved electrochemical performance of water-deficient PBAs and informing future material design and safety assessment for SIB applications.

batteries↗
DOE OSTI2025

Libration of hydroxyl groups in layered aluminum (oxy)hydroxides and other material analogs: insights from inelastic neutron scattering and theory

We analyzed the hydroxyl librational signatures of five structurally related aluminum (oxy)hydroxides, using inelastic neutron scattering (INS) and plane-wave lattice dynamics simulations. A clear trend across these aluminum-containing phases illustrates the relationship between hydrogen bonding, local atomic structure, and the spectral location and profile of the librational bands. The INS spectra have been compared to previous optical spectroscopy and computational studies, highlighting the complementary nature of the INS technique. Taking into account other structurally or chemically related material analogs, we have identified a correlation between a blueshift (to higher energy) of the upper librational band edge and the geometry of the hydrogen bond interactions, mirroring (with opposite correlation) the well-known redshift in the intramolecular O–H stretching energy with increasing hydrogen bond strength. For hydroxyl groups that do not participate in hydrogen bonding effectively, the bending librations occur at lower energies and hybridize with metal–oxygen lattice modes. Standard density functional theory approximations, including dispersion corrections, struggle to correctly predict vibrational frequencies of motions dominated by H but perform well for metal–oxygen modes, allowing us to make detailed mode assignments in several cases, including a demonstration of how layer-to-layer disorder in boehmite hydrogen bond orientations is reflected in the sharp but minor low energy peaks (at ∼70–80 meV) of the INS spectrum.

Wang, Hsiu-Wen [Oak Ridge National Laboratory (ORN↗
DOE OSTI2024

The kinetic analog of the pressure–strain interaction

Energy transport in weakly collisional plasma systems is often studied with fluid models and diagnostics. However, the applicability of fluid models is limited when collisions are weak or absent, and using a fluid approach can obscure kinetic processes that provide key insights into the physics of energy transport. Kinetic diagnostics retain all of the information in 3D-3V phase space and thereby reach beyond the insights of fluid models to elucidate the mechanisms responsible for collisionless energy transport. In this work, we derive the Kinetic Pressure–Strain (KPS): a kinetic analog of the pressure–strain interaction, which is the channel between flow energy density and internal energy density in fluid models. Through two case studies of electron Landau damping, we demonstrate that the KPS diagnostic can elucidate kinetic mechanisms that are responsible for energy transport in this channel, just as the related field–particle correlation is known to identify kinetic mechanisms of transport between electromagnetic field energy density and kinetic energy density in particle flows. In addition, we show that resonant electrons play a major role in transferring energy between fluid flows and internal energy during the process of Landau damping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Laser beam pointing stabilization using analog position-sensitive diodes

Laser wire scanners have been used for ion beam profile and emittance measurements at the Spallation Neutron Source linear accelerator. Due to propagation distances exceeding 100 m, reliable measurements require laser beam stabilization, previously accomplished with a feedback control loop using a digital camera as a position sensor [Hardin et al., Opt. Express 19, 2874 (2011)]. Here, this paper presents an upgraded pointing stabilization system utilizing analog position-sensitive diodes (PSDs) as the position detector, optimized with an optical diffuser. The new system significantly surpasses the previous system by offering an order-of-magnitude improvement in radiation tolerance and a bandwidth limited only by the burst repetition rate of the laser beam. Operating with a 60-Hz burst mode laser, the new system effectively suppresses laser beam drifts up to 30 Hz, compared to the previous system’s 4 Hz limit. In addition, the amplitude of spectral components below 0.1 Hz was reduced by a factor of more than 100, which is over seven times greater than was achieved by the previous system.

Data acquisition↗
DOE OSTI2025

Optical characterization of deep-level defects in n-type Al x In y Ga 1- x - y P for the development of solid-state photomultiplier analogs

Characterizing intrinsic defects is an essential step in evaluating materials for novel optoelectronic device applications. For photomultipliers, suppressing dark currents is critical, but a tradeoff is present between maximizing the band gap while remaining sensitive to the wavelength of interest and minimizing the incorporation of fresh defects by growing not-yet-optimized alloys. We present a series of capacitance-based measurements, including deep-level optical spectroscopy, steady-state photocapacitance, and illuminated capacitance-voltage, on photodiodes with lightly n-type Al x In y Ga 1−x−y P absorber regions. Several deep levels are identified, including one near the midgap. Although the inclusion of aluminum increases each trap density by approximately 10×, the hole capture cross-section also appears to decrease, suggesting that Shockley–Read–Hall dark currents may be suppressed. These materials may be good candidates for the development into silicon photomultiplier analogs with a wider bandgap for scintillator applications.

III–V↗
DOE OSTI2024

A Cryogenic readout integrated circuit with analog pile-up and in-Pixel ADC for high frame rate Skipper CCD-in-CMOS Sensors

The Skipper CCD-in-CMOS Parallel Read-Out Circuit V2 (SPROCKET2) is designed to enable high frame rate readout of Skipper CCD-in-CMOS image sensors. The SPROCKET2 pixel is fabricated in a 65 nm CMOS process and occupies a 60$\mu$m $\times$ 60$\mu$m footprint. SPROCKET2 is intended to be heterogeneously integrated with a pixelated Skipper CCD-in-CMOS sensor, such that one readout pixel is connected to a multiplexed array of 16 active image sensor pixels, to match their spatial geometry. Our design benefits from the Skipper CCD-in-CMOS sensor's non-destructive readout capability to achieve exceptionally low noise through multi-sampling and averaging while optimizing for total power consumption. The pixel readout utilizes correlated double sampling to minimize 1/f noise and includes "pile-up" of ten successive samples in the analog domain before digitizing at a rate of 66.7 ksps. Measurement results of in-pixel serial SAR ADC show DNL and INL of ~0. 44 LSB and 0.58 LBS respectively. A large area array of 20,000 SPROCKET2 ADC pixels (multiplexed 1:16 to 320,000 sensor pixels) is currently under test. By reading out data over a 10 Gbps optical link, this pixel design enables a frame rate of $\sim$ 4 kfps for large sensing areas with minimal sensing deadtime. In the highest gain mode, the pixelated ADC has an input-referred resolution of 10$\mu$V with a simulated power consumption of 50$\mu$W. The pixel operates with constant current draw to minimize power-rail crosstalk.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
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 OSTI2024

Analog Computing for Science

Conventional digital computing faces fundamental physical limits: large scale computing systems already con sume tens of Megawatts of power, Dennard scaling has ended, and data movement costs dominate application performance. Next generation experimental facilities generate data at rates that overwhelm conventional pro cessing and demand real-time analysis at the source. Analog computing, which exploits the continuous dynamics of physical systems to perform computation, promises a transformative path toward orders-of-magnitude gains in energy efficiency and time-to-solution for scientific workloads.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

SuFEx-enabled high-throughput medicinal chemistry for developing potent tamoxifen analogs as Ebola virus entry inhibitors

Ebola virus (EBOV) causes severe hemorrhagic fever with a high mortality rate in humans. In acute infection, an abnormal immune response results in excessive inflammatory cytokines and uncontrolled systemic inflammation that can result in organ damage and multi-organ failure. While vaccines and monoclonal antibody therapies are available, there is an urgent need for effective small-molecule antivirals against EBOV. Here, we report on the optimization of tamoxifen, an EBOV-glycoprotein (GP) binder that inhibits viral entry, using our Sulfur-Fluoride Exchange (SuFEx) click chemistry-based high-throughput medicinal chemistry (HTMC) strategy. Using a “Direct-to-Biology” approach, we generated a focused library of 2,496 tamoxifen analogs overnight and screened them in a cell-based pseudo-EBOV infection assay. The HTMC workflow enabled the development of a potent EBOV entry inhibitor with submicromolar EC 50 cellular antiviral activity and more than 50-fold improvement in binding affinity against EBOV-GP compared to the parent compound. Our findings underscore the use of SuFEx-enabled HTMC for rapidly generating and assessing potential therapeutic candidates against viral and immune-mediated diseases in a cell-based assay.

Immunology↗
DOE OSTI2025

Cosmological Simulations of Stellar Halos with Gaia Sausage–Enceladus Analogs: Two Sausages, One Bun?

Observations of the Milky Way’s stellar halo find that it is predominantly comprised of a radially biased population of stars, dubbed the Gaia Sausage–Enceladus, or GSE. These stars are thought to be debris from dwarf galaxy accretion early in the Milky Way’s history. Though typically considered to be from a single merger, it is possible that the GSE debris has multiple sources. To investigate this possibility, we use the IllustrisTNG50 simulation to identify stellar accretion histories in 98 Milky Way analogs—the largest sample for which such an identification has been performed—and find GSE-like debris in 32, with two-merger GSEs accounting for a third of these cases. Distinguishing single-merger GSEs from two-merger GSEs is difficult in common kinematic spaces, but differences are more evident through chemical abundances and star formation histories. This is because single-merger GSEs are typically accreted more recently than the galaxies in two-merger GSEs: the median infall times (with 16th and 84th percentiles) are $5.{9}_{-2.0}^{+3.3}$ and $10.{7}_{-3.7}^{+1.2}$ Gyr ago for single- and two-merger scenarios, respectively. The systematic shifts in abundances and ages that occur as a result suggest that efforts in modeling these aspects of the stellar halo prove ever-important in understanding its assembly.

galactic archaeology↗
DOE OSTI2026

Dwarf Galaxy Number Counts within 25 Mpc: Predictions from Local Group Analogs in TNG50

The modern generation of wide-field galaxy surveys, such as LSST, Euclid, and Roman, will enable studies of dwarf galaxies (10 6 ≤ M * /M ⊙ ≤ 10 9 ) beyond the Local Group (LG) in unprecedented detail. Improved theoretical understanding of this population is necessary to guide these observations, since predictions in this regime are generally limited to specific environments like the LG. We present predictions for the population of dwarf galaxies from the TNG50 run of the IllustrisTNG suite of cosmological hydrodynamical simulations, focusing on the environments within 1 < D/Mpc < 25 of LG analogs at z = 0. In the simulated sample, there are ∼1000 and ∼12,000 dwarf galaxies within 10 and 25 Mpc, respectively. We compare our results with the 50 Mpc Galaxy Catalog and estimate that current observations are highly incomplete at low masses: for 10 6 ≤ M * /M ⊙ ≤ 10 7 (−13 ≲ M r ≲ −10), we find completeness fractions of ∼23% within 10 Mpc and ∼4% within 25 Mpc. The simulated galaxies below the completeness limits of the observations exist in a range of environments, with notable populations of field dwarfs at all distances and satellites around centrals with masses 10 8 ≲ M * /M ⊙ ≲ 10 11 within 10–25 Mpc. We find that there are ∼8 times more quiescent dwarf galaxies in the TNG50 sample than are currently cataloged. Our results suggest that upcoming observations should uncover a substantial population of dwarf galaxies, and that ≳15% of these will be red, currently quenched galaxies in the field.

Shread, Evangela E. [California Institute of Techn↗
DOE OSTI2024

Optimization of algorithmic errors in analog quantum simulations

Due to rapidly improving quantum computing hardware, Hamiltonian simulations of relativistic lattice field theories have seen a resurgence of attention. Furthermore, this computational tool requires turning the formally infinite-dimensional Hilbert space of the full theory into a finite-dimensional one. For gauge theories, a widely used basis for the Hilbert space relies on the representations induced by the underlying gauge group, with a truncation that keeps only a set of the lowest dimensional representations. This works well at large bare gauge coupling, but becomes less efficient at small coupling, which is required for the continuum limit of the lattice theory. In this work, we develop a new basis suitable for the simulation of an SU(2) lattice gauge theory in the maximal tree gauge. In particular, we show how to perform a Hamiltonian truncation so that the eigenvalues of both the magnetic and electric gauge-fixed Hamiltonian are mostly preserved, which allows for this basis to be used at all values of the coupling. Little prior knowledge is assumed, so this may also be used as an introduction to the subject of Hamiltonian formulations of lattice gauge theories.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

High-resolution analysis of clay minerals and amorphous materials in martian analog environments

Mudrocks and mud-sized sediments (i.e., silt to clay) dominate the surface of Earth and Mars. These fine-grained sediments preserve a rich history of sedimentary processes from source to sink and shed light on ancient climates. However, both the physical and chemical nature of these materials make them difficult to fully characterize with traditional laboratory techniques. Here, we explore a cross-disciplinary and high-resolution approach using synchrotron radiation for X-ray diffraction, pair distribution function analysis, and submicrometer-scale X-ray fluorescence, combined with transmission electron microscopy, to better understand the nanostructure and composition of mud-sized sediments from a glacio-fluvial watershed in southwest Iceland. Our results demonstrate that sediments in the cold and wet climate of Iceland are more altered than previously thought, as evidenced by the identification of kaolinite and mixed-layer kaolinite-smectite. Additionally, sediments are enriched in amorphous materials and nanocrystalline phases, as determined from grain morphologies and compositions consistent with allophane, hisingerite, ferrihydrite, and halloysite. These alteration products are present as intimate mixtures that vary across depositional sites, demonstrating the dynamic nature of the secondary assemblage from source to sink. This work has implications for Mars, where, for example, basalt-sourced sedimentary rocks from Gale crater are abundant in clay minerals and amorphous materials. Finally, this work underpins the importance of using high-resolution techniques, a coordinated methodology, and developing innovative approaches for future planetary sample return missions (e.g., Mars sample return).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Secondary Organic Aerosol from OH Oxidation of Acyclic Terpenes Is More Viscous and Less Volatile than That of Their Cyclic Analogs

Biogenic volatile organic compounds (BVOCs), a dominant source of secondary organic aerosol (SOA) globally, exhibit emission rates and composition that are plant species-specific and vary with environmental stressors. A common outcome of plant stress is increased emissions of acyclic terpenes. The paucity of information about acyclic terpene SOA chemistry contributes to uncertainties in predictions of SOA global loadings and impacts on Earth’s radiative budget, particularly in a changing climate where acyclic terpene emissions could become more prominent. This study compared properties of SOA derived from OH oxidation of acyclic and cyclic monoterpenes (ß-ocimene, a-pinene) and sesquiterpenes (ß-farnesene, ß-caryophyllene). Single particle mass spectrometry was used for assessing shape, density, and evaporation kinetics of size-selected SOA particles, and nanospray desorption electrospray ionization high-resolution mass spectrometry (nano-DESI-HRMS) was used to measure molecular composition of SOA. Acyclic terpene SOA exhibited higher viscosity and lower volatility compared to cyclic terpene SOA, and had a greater volume fraction remaining (VFR) after ~24 hours of evaporation - approximately 1.3-1.6 times higher VFR than that of cyclic terpene SOA. Additionally, HRMS analysis revealed greater chemical diversity and higher fractions of extremely low volatility compounds (56-62% ELVOC/LVOC) in acyclic terpene SOA compared to cyclic counterparts (25-37% ELVOC/LVOC). Our findings highlight the potential importance of accounting for acyclic terpene aerosol chemistry under conditions of plant stress to improve predictions of SOA loadings and impacts.

SOA physical properties↗