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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 19 records

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↗

Itinerant Magnetism in Hydride-Synthesized CaCo 12 B 6

A new compound in the underexplored Ca–Co–B phase space has been discovered, validating high-throughput computations from the Open Quantum Materials Database, which predicted thermodynamic stability for CaCo 12 B 6 in the SrNi 12 B 6 structure type. The synthetic effects of different boron precursors and the advantages of using CaH 2 instead of Ca metal were demonstrated by the short synthesis duration and high purity of CaCo 12 B 6 , in contrast with traditional synthesis routes. Powder X-ray diffraction (PXRD) confirmed that CaCo 12 B 6 shares the SrNi 12 B 6 structure ( R $\bar{3}$m (#166), a = 9.469(4) Å, c = 7.468(2) Å, Z = 3) and is water- and air-stable. High-temperature in situ PXRD indicates that CaCo 12 B 6 is stable below 1050 K under vacuum in a silica capillary. CaCo 12 B 6 decomposes between 693 and 773 K during spark-plasma sintering. Density functional theory calculations indicate that CaCo 12 B 6 is metallic with a ferromagnetic ground state. X-ray absorption near-edge spectroscopy and Bader charge analysis indicate that Co atoms in CaCo 12 B 6 lack ionic character. Magnetometry reveals room-temperature paramagnetism with μ eff = 1.7(1)μ B per Co atom and a Weiss constant of +190(10)K. Ferromagnetic ordering occurs below 172(1)K, resulting in a saturation moment of 0.46 μ B per Co atom. Our findings demonstrate that the hydride route is a viable strategy for discovery of new ternary alkaline-earth-transition metal borides analogous to rare-earth-containing counterparts.

diffraction↗

Anisotropic neutron star crust, solar system mountains, and gravitational waves

"Mountains" or non-axisymmetric deformations of rotating neutron stars (NS) efficiently radiate gravitational waves (GW). We consider analogies between NS mountains and surface features of solar system bodies. Both NS and moons such as Europa or Enceladus have thin crusts over deep oceans while Mercury has a thin crust over a large metallic core. Thin sheets may wrinkle in universal ways. Europa has linear features, Enceladus has "Tiger" stripes, and Mercury has lobate scarps. NS may have analogous features. The innermost inner core of the Earth is anisotropic with a shear modulus that depends on direction. If NS crust material is also anisotropic this will produce an ellipticity, when the crust is stressed, that grows with spin frequency. This yields a braking index (log derivative of spin down rate assuming only GW spin down) very different from n=5 and could explain the maximum spin observed for neutron stars and a possible minimum ellipticity of millisecond pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗

Temperature-Dependent Structural Transition in Cu-Intercalated Trigonal CuYbSe 2

Rare-earth delafossites, ARCh 2 ; A = alkali metal, R = rare-earth, Ch = chalcogen which consist of intercalated rare-earth metal dichalcogenides, host frustrated triangular lattices that are fertile ground for exotic phenomena. In most cases, the triangular rare-earth sublattice arises from R-3m (No. 166) structures with three layers of rare-earth metal dichalcogenide octahedra or P6 3 /mmc (No. 194) structures with two such layers, analogous to those found in transition metal dichalcogenides. Substituting the alkali metal with Cu + yields a distinct trigonal crystal symmetry P-3m1 (No. 164) in these structures. This symmetry change alters the coordination environment from ASe 6 octahedra in R-3m AYbSe 2 to CuSe 4 tetrahedra in CuYbSe 2 , resulting in shortened rare-earth to rare-earth separations and significantly reduced interlayer distances. Using X-ray single-crystal diffraction, powder neutron diffraction, resistance, and specific heat measurements, a structural transition slightly below room temperature (258 K) is observed. The low-temperature structure is a lower-symmetry I2/m structure, accompanied by partial Cu-site vacancy ordering. The combination of Cu disorder and the triangular lattice geometry in CuYbSe 2 provides a promising platform for investigating frustrated magnetism and unconventional transport phenomena.

Chemical structure↗

Geometric Phase in Anisotropic Kepler Problem: Perspective for Realization in Rydberg Atoms

We predict a gyroscopic effect that can be demonstrated with Rydberg atoms following the dynamics of a Kepler Hamiltonian with an additional uniaxial anisotropy induced by optical ponderomotive force. This effect is analogous to the rotation of the Foucault pendulum in response to the Earth’s rotation. Furthermore, we argue that in Rydberg states with a large principal quantum number a similar geometric angle can be generated by mechanical rotations of an atomic-optical setup on timescales between 1 μ⁢s and 1 ms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Visualization of lignification in flax stem cell walls with novel click-compatible monolignol analogs

As an essential part of plant cell walls, lignin provides mechanical support for plant growth, enhances water transport, and helps to defend against pathogens. As the most abundant natural aromatic-based renewable resource on earth, its biosynthesis has always been a research focus, and it is still currently under study. In this study, the p-coumaryl alcohol analog (H ALK ) and the coniferyl alcohol analog (G ALK ) containing an alkyne group at the ortho position were synthesized and applied to lignification in vivo and in vitro. The incorporation of these novel lignin monomers was observed via fluorescence imaging. It was found that the two monolignol analogs could be incorporated in dehydrogenated polymers (DHPs) in vitro and in flax cell walls in vivo. The results showed that as the cultivation time and precursor concentration varied, the deposition of H and G-type lignin exhibited differences in deposition mode. At the subcellular scale, the deposited lignin first appears in the cell corner and the middle lamella, and then gradually appears on the cell walls. Furthermore, lignin was also found in bast fiber. It was demonstrated that these new molecules could provide high-resolution localization of lignin during polymerization.

59 BASIC BIOLOGICAL SCIENCES↗

Array-Based Seismic Measurements of OSIRIS-REx’s Re-Entry

The return home of the OSIRIS-REx spacecraft in September 2023 marked only the fifth time that an artificial object entered the Earth’s atmosphere at interplanetary velocities. Although rare, such events serve as valuable analogs for natural meteoroid re-entries; enabling study of hypersonic dynamics, shock wave generation, and acoustic-to-seismic coupling. Here, in this study, we report on the signatures recorded by a dense (100 m scale) 11-station array located almost directly underneath the capsule’s point of peak atmospheric heating in northern Nevada. Seismic data are presented, which allow inferences to be made about the shape of the shock wave’s footprint on the surface, the capsule’s trajectory, and its flight parameters.

58 GEOSCIENCES↗

Local Chain Dynamics in Sequence-Controlled Polymers as a Tunable Handle for Rare Earth Sequestration

Chain dynamics govern the intricate behaviors of proteins, underpinning functions such as catalysis, recognition, and stimulus response, and are an increasingly appreciated aspect of structure–function relationships. Analogously, manipulating chain dynamics and structure in abiotic polymers via sequence control is an exciting, yet underexplored, strategy for improving material functions. In this work, we report a systematic study relating the sequence of polymeric sequestrants to their structure and dynamics, as well as to their binding affinity and selectivity for model substrates, rare earth elements (REEs). A series of sequence-controlled polymers with metal chelating, solubilizing, and structure forming monomers was synthesized via multiblock polymerization, yielding compositionally identical polymers with spectroscopically resolved domains and distinct morphologies. Using a combination of small-angle X-ray scattering and 19 F NMR relaxometry measurements, we connected differences in polymer structure and dynamics to polymer sequence variables such as the patchiness (density) of the structure forming monomer and the location of the chelating monomer. Furthermore, we found that, relative to calcium, all polymers in the series collapse more and have slower dynamics when binding REEs (lanthanum and lutetium) , though the extent of these effects were sequence-dependent and localized to specific domains within the polymer. Notably, sequence-controlled polymers that exhibited the largest conformational and dynamic changes upon binding REEs also bound REEs with the greatest affinity and modest selectivity. Collectively, these results correlate monomer patterning with dynamics, morphology, and REE binding performance en route to the development of efficient and selective macromolecular chelators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetohydrodynamic simulations preliminarily predict the habitability and radio emission of TRAPPIST-1e

TRAPPIST-1e, an Earth-sized exoplanet in the habitable zone of the nearby M dwarf TRAPPIST-1, may experience magnetospheric responses that vary with stellar space weather, which could potentially influence both its habitability and radio emissions. Our objective is to investigate how different Earth-like magnetospheric configurations of TRAPPIST-1e – specifically variations in dipolar magnetic field strength and axial tilt – respond to diverse stellar space weather conditions, including events analogous to coronal mass ejections (CMEs), and to assess their implications for potential habitability and expected radio emissions. We conducted 3D magnetohydrodynamic simulations of the TRAPPIST-1e system using the PLUTO code in spherical coordinates. The planetary magnetic field was modelled as dipolar, with equatorial strengths from Earth-like to several times stronger. The dipole axis spans a representative range of axial tilts. We investigate four stellar wind environments, from sub-Alfvénic flow to CME-like disturbances. Planetary shielding was quantified based on the magnetopause standoff distance, and radio powers were estimated via empirical scaling laws. Our simulations show that both shielding and radio power depend strongly on the magnetic configuration. Stronger fields increase protection, while larger tilts reduce it. Radio power increases with both field strength and tilt across all wind regimes. An Earth-like magnetic field can provide effective shielding even under intense CMEs, whereas high tilts require stronger fields. Predicted radio powers reach ~10 20 erg s −1 during CMEs, making bursts from close-in, magnetised planets more detectable. However, for TRAPPIST-1e, the maximum cyclotron frequency lies below the Earth’s ionospheric cutoff (~10 MHz), making ground-based detection currently infeasible.

Sun: magnetic fields↗

Attosecond time delays at Cooper minima in valence-shell photoionization of alkali-metal and alkaline-earth-metal atoms

Ji et al. [New J. Phys. 26, 093014 (2024)] established a direct link between the photoionization cross section and the attosecond time delay near Cooper minima (CM) in the valence shells of noble-gas atoms. This link is based on the analytic properties of the ionization amplitude in the complex plane of the photoelectron energy, and is particularly sensitive to the winding number of the amplitude around the origin of the complex energy plane. Here, in this study, we demonstrate an analogous relation for photoionization of the valence 𝑛⁢𝑠 shells of alkali-metal atoms (AMA), from Na (𝑛 = 3) to Cs (𝑛 = 6), as well as alkaline-earth-metal atoms (AEMA), from Mg (𝑛 = 3) to Ba (𝑛 = 6). To this end, we employ a fully relativistic formalism that separates the two complementary 𝑛⁢𝑠 1/2 → 𝐸⁢𝑝 1/2 and 𝐸⁢𝑝 3/2 ionization channels. Each of these channels exhibits a phase variation close to 𝜋, but in opposite directions, near their respective Cooper minima. This phase variation vanishes in a nonrelativistic formulation, where the two channels become degenerate. For AMA, due to the threshold proximity of the CM, the universal Coulomb contribution to the time delay must be subtracted. The remaining component of the time delay is target-specific, angular-dependent, and accessible through comparative measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Constraining solar electron number density via neutrino flavor data at Borexino

Understanding the physics of the deep solar interior, and the more exotic environs of core-collapse supernovae (CCSN) and binary neutron-star (NS) mergers, is of keen interest in many avenues of research. To date, this physics is based largely on simulations via forward integration. While these simulations provide valuable constraints, it could be insightful to adopt the "inverse approach" as a point of comparison. Within this paradigm, parameters of the solar interior are not output based on an assumed model, but rather are inferred based on real data. Here, we take the specific case of solar electron number density, which historically is taken as output from the standard solar model. We show how one may arrive at an independent constraint on that density profile based on available neutrino flavor data from the Earth-based Borexino experiment. The inference technique's ability to offer a unique lens on physics can be extended to other datasets, and to analogous questions for CCSN and NS mergers, albeit with simulated data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

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↗

Wasserstein Normalized Autoencoder for Anomaly Detection in ProtoDUNE Vertical-Drift Detector

ProtoDUNE Vertical Drift needs a selective triggering algorithm. The detector sits on Earth's surface, so cosmic activity dominates its data. Our goal in this paper is to trigger on neutrino events more robustly than the current deployed Analog-to-Digital Converter Simple Window (ADCSW) model and, eventually, search for signals of Beyond Standard Model (BSM) physics at DUNE as our ultimate North Star objective. As a step towards this goal, we evaluate a Wasserstein Normalized Autoencoder (WNAE) on simulated collection-plane only windows of shape $1\times10\times10$ where Neutrinos act as our BSM-proxy and Cosmic-ray Muons serve as our learned background. The network parameters are fitted using only cosmic-ray muon events as background in order to maintain an unsupervised pipeline. Training uses finite-step Langevin $x^-$ samples, positive-sample reconstruction energy, and an empirical sliced $2$-Wasserstein objective to learn a normalized Boltzmann energy model. We then calibrate on a nominal $5\,\mathrm{Hz}$ operating threshold calculated from cosmic validation data. Both WNAE and ADCSW accept 311 of 194,083 held-out cosmic background events at this $5\,\mathrm{Hz}$ threshold. We found that WNAE accepts 9,677 of 34,634 neutrino-proxy events $(27.9\pm0.24)\%$, compared with 10,076 $(29.1\pm0.24)\%$ for ADCSW, an observed WNAE-minus-ADCSW difference of $-1.15\%$. At another nominal $2\,\mathrm{Hz}$ target threshold, the corresponding efficiencies are $(20.5\pm0.22)\%$ and $(22.6\pm0.22)\%$, respectively. Of the WNAE-selected neutrino proxies at $5\,\mathrm{Hz}$, $(20.8\pm0.4)\%$ of the classified neutrino-proxy events are unique to WNAE, where the uncertainty is an absolute binomial standard error of $0.4\%$.

Zheng, Jake [U. Chicago (main)] (ORCID:00090002189↗

Wasserstein Normalized Autoencoder for Anomaly Detection in ProtoDUNE Vertical-Drift Detector

ProtoDUNE Vertical Drift needs a selective triggering algorithm. The detector sits on Earth's surface, so cosmic activity dominates its data. Our goal in this paper is to trigger on neutrino events more robustly than the current deployed Analog-to-Digital Converter Simple Window (ADCSW) model and, eventually, search for signals of Beyond Standard Model (BSM) physics at DUNE as our ultimate North Star objective. As a step towards this goal, we evaluate a Wasserstein Normalized Autoencoder (WNAE) on simulated collection-plane only windows of shape $1\times10\times10$ where Neutrinos act as our BSM-proxy and Cosmic-ray Muons serve as our learned background. The network parameters are fitted using only cosmic-ray muon events as background in order to maintain an unsupervised pipeline. Training uses finite-step Langevin $x^-$ samples, positive-sample reconstruction energy, and an empirical sliced $2$-Wasserstein objective to learn a normalized Boltzmann energy model. We then calibrate on a nominal $5\,\mathrm{Hz}$ operating threshold calculated from cosmic validation data. Both WNAE and ADCSW accept 311 of 194,083 held-out cosmic background events at this $5\,\mathrm{Hz}$ threshold. We found that WNAE accepts 9,677 of 34,634 neutrino-proxy events $(27.9\pm0.24)\%$, compared with 10,076 $(29.1\pm0.24)\%$ for ADCSW, an observed WNAE-minus-ADCSW difference of $-1.15\%$. At another nominal $2\,\mathrm{Hz}$ target threshold, the corresponding efficiencies are $(20.5\pm0.22)\%$ and $(22.6\pm0.22)\%$, respectively. Of the WNAE-selected neutrino proxies at $5\,\mathrm{Hz}$, $(20.8\pm0.4)\%$ of the classified neutrino-proxy events are unique to WNAE, where the uncertainty is an absolute binomial standard error of $0.4\%$.

Zheng, Jake [Chicago U.] (ORCID:0009000218901379)↗

Enabling depth resolved temporal resolved soil microbial sampling with novel vadose zone diffusion sampler

To address the difficulty in Earth system science in making time-course measurements of molecular signatures in soil biochemistry, we developed a soil stake system to sample and replace a defined soil analog medium, connected through hydraulic connectivity via perforated casings and modular inserts. We deployed these stakes to a site in Prosser, WA and measured microbial colonization of sterile sand-clay inserts enriched with N-acetyl-glucosamine at different depths over spring and summer. DNA and RNA analyses revealed distinct microbial recruitment and activity patterns. Inserts showed lower microbial diversity but higher abundance of Proteobacteriota and Bacteriota compared to native soils, alongside seasonal shifts in taxonomic and functional profiles. The soil stake system offers a novel approach for studying microbial dynamics across temporal and spatial scales.

58 GEOSCIENCES↗

Pyrite (001) Interface Chemistry is Controlled by a Sulfoxy Termination

Pyrite (FeS 2 ) is the most common sulfide mineral on Earth, forming through inorganic reactions in the crust and oceanic hydrothermal systems and via microbially driven processes in anaerobic sediments. The pyrite–water interface is the site of a wide range of adsorption and reaction processes in Earth systems including oxidation that dramatically affects the geochemistry of surface waters and influences global carbon and oxygen cycles. Mechanistic geochemical models of pyrite interfacial reactivity, however, are limited by the lack of experimentally derived atomistic structures of the reduced and reacting surfaces. Here, in this work, we reveal the atomic-scale structure of the pyrite (001)-water interface that forms at very low oxygen partial pressures, relevant to suboxic environments in Earth. The interface structure and surface speciation were obtained using the crystal truncation rod method supported by ambient-pressure photoelectron spectroscopy and density functional theory calculations. The surface is dominantly composed of disulfide groups bound to a single oxygen atom, forming a sulfoxy group that has no known molecular or bulk mineral analog. This surface is interpreted as the first step in the oxidative dissolution of pyrite. The sulfoxy group is readily protonated through surface acid–base reactions that alter the structure of interfacial water and the free energy of interfacial reactions. Surface iron sites are not oxidized. Surprisingly, this interface can likely develop in equilibrium with bulk pyrite in some reducing and acidic solutions. This termination is therefore likely representative of pyrite surfaces under a vast range of experimental, industrial and Earth conditions.

oxidation↗

Experimental Observation of a New Attenuation Mechanism in hcp ‐Metals That May Operate in the Earth's Inner Core

Abstract Seismic observations show the Earth's inner core has significant and unexplained variation in seismic attenuation with position, depth and direction. Interpreting these observations is difficult without knowledge of the visco‐ or anelastic dissipation processes active in iron under inner core conditions. Here, a previously unconsidered attenuation mechanism is observed in zinc, a low pressure analog ofhcp‐iron, during small strain sinusoidal deformation experiments. The experiments were performed in a deformation‐DIA combined with X‐radiography, at seismic frequencies (∼0.003–0.1 Hz), high pressure and temperatures up to ∼80% of melting temperature. Significant dissipation (0.077 ≤ Q −1 (ω) ≤ 0.488) is observed along with frequency dependent softening of zinc's Young's modulus and an extremely small activation energy for creep (⩽7 kJ mol −1 ). In addition, during sinusoidal deformation the original microstructure is replaced by one with a reduced dislocation density and small, uniform, grain size. This combination of behavior collectively reflects a mode of deformation called “internal stress superplasticity”; this deformation mechanism is unique to anisotropic materials and activated by cyclic loading generating large internal stresses. Here we observe a new form of internal stress superplasticity, which we name as “elastic strain mismatch superplasticity.” In it the large stresses are caused by the compressional anisotropy. If this mechanism is also active inhcp‐iron and the Earth's inner‐core it will be a contributor to inner‐core observed seismic attenuation and constrain the maximum inner‐core grain‐size to ≲10 km.

Geochemistry & Geophysics↗

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↗