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Tautomerism induces bending and twisting of biogenic crystals

Understanding and exploiting material flexibility through phenomena such as the bending and twisting of molecular crystals has been a subject of increased interest owing to the number of applications that benefit from these properties, such as optoelectronics, mechanophotonics, soft robotics, and smart sensors. Here, we report the growth of spontaneously bent and twisted ammonium urate crystals induced by the keto–enol tautomerism of the urate molecule. The major tautomer is native to biogenic crystals, whereas the minor tautomer functions as an effective crystal growth modifier to induce naturally bent and twisted ammonium urate crystals. We show that the degree of curvature can be tailored based on the judicious selection of growth conditions. A combination of state-of-the-art microscopy and spectroscopy techniques are used to characterize the origin of bending. Spatially resolved nano-electron diffraction and high-resolution electron microscopy of naturally bent crystals show nearly single crystallinity with local lattice deformations generated by a combination of screw and edge dislocations. These observations are consistent with photoinduced force microscopy and contact resonance atomic force microscopy, which confirmed spatially resolved changes in the intermolecular interactions and the mechanical properties throughout the cross-sectional and axial regions of bent crystals. A mechanism of bending involving the generation of regionally specific dislocations is proposed as an alternative to more commonly reported models. These findings highlight a unique characteristic of tautomeric crystals that may have broader implications for other biogenic materials.

Science & Technology - Other Topics

Mitigation of polysulfide shuttle effect in Li-S batteries through catalytic disproportionation reaction

Polysulfides are poorly retained within porous cathodes and readily diffuse into the electrolyte over time, leading to the well-known shuttle effect that undermines the reversibility of Li-S batteries. Here, in this study, we demonstrate that catalytic disproportionation of polysulfides provides an effective pathway to suppress this process by rapidly converting dissolved species into solid sulfur and sulfides, thereby preventing their migration into the electrolyte. Fundamentally, the sluggish kinetics of sulfur redox reactions are responsible for the accumulation and redistribution of soluble polysulfides in the bulk electrolyte. By accelerating these kinetics, catalyzed disproportionation not only confines sulfur within the conductive cathode matrix but also promotes the homogeneous precipitation of Li₂S₂/Li₂S, which enhances electrochemical reversibility and cycling stability. Using nitrogen-doped carbon (NC800) as a model catalyst, we reveal its ability to drive a pseudo-16-electron reduction pathway, leading to a single dominant Li₂S product and uniform deposition within the porous framework. In contrast, a non-catalytic carbon (KB) yields multiple polysulfide intermediates and heterogeneous deposition. The mechanistic insights provided here highlight the pivotal role of catalytic disproportionation in reshaping sulfur redox pathways and offer a rational strategy for mitigating polysulfide shuttling in practical Li-S pouch cells.

25 ENERGY STORAGE

Ranger Spacecraft

The thermal-control philosophy of the spacecraft currently under development by the Jet Propulsion Laboratory is design by passive means to maintain all components within the tolerances specified by cognizant engineers. Due to the complexity of the configurations, calculations are) of necessity, fairly generalized and final design is based upon tests in an environmental chamber. The Ranger series spacecraft is designed with a basic structure which is common to all models, with additional hardware to suit the individual mission. This basic structure of Rangers A-1 and A-2 is seen as the hexagonal instrument section, the erectable solar panels, the movable antenna, and the omniantenna. The Ranger A-1 and A-2 configuration is for engineering tests and space-exploration, with the scientific instrumentation isolation requirement dictating the spread-out design. The spacecraft stands 12 feet high, weighs 700 to 800 pounds, and has an internal power of 150 watts. Rangers A-3, A-4, and A-5 are designed to rough land a capsule on the moon. For these, a capsule and retrorocket replace the scientific instruments, occupying the space inside the tower structure. The spacecraft must survive many environments. Chronologically they are: 1) Folded configuration inside an aerodynamic shroud on the pad. 2) Thermal flux from shroud aerodynamically heated during boost phase. 3) Coasting up to 30 minutes attached to Agena stage after booster and shroud are separated. 4) Agena stage burning. 5) Coasting and tumbling after separation from Agena until it passes from earth's shadow. 6) Upon reaching sunlight, panels open and begin sun acquisition. 7) Antenna seeks earth after spacecraft locks onto sun. 8) Space phase- "steady state" with vehicle's vertical axis locked on sun, communicating with earth. The philosophy is to design for the sun-acquired mode, making allowances for the transient conditions.

T. O. Thostesen

Robustness of inertial fusion energy relevant implosions to low-mode asymmetries

Inertial confinement fusion implosions for power production need to be robust. Degradation sources need to be understood and considered for an economic power plant. In this work, the impact of low-mode asymmetries on yield is studied using 2D radiation hydrodynamics simulations for inertial fusion energy relevant implosions. First, a high-gain indirectly driven capsule design is developed. This design is subsequently degraded with low-mode drive asymmetries. The results show that yield is constant with increasing amounts of asymmetry until a cliff is reached where the yield quickly drops below ignition. Robustness arises because the degraded hotspot still has enough time to get to ignition before capsule decompression. This robustness occurs even though the asymmetry couples less energy to the hotspot and causes decompression to occur sooner. The robustness is linked to the generalized Lawson parameter, χ⁠. The value of χ steadily decreases with increasing asymmetry. Once χ is close to one, the hotspot is no longer able to ignite before the capsule decompresses. A simple piston model is used to predict where the robustness cliff is for any design. The trade-off between yield and robustness is also demonstrated.

Physics - Plasma physics

Advanced Materials for the Lunar Surface: Multiscale Computational Design of Refractory Alloys and Carbides

Emerging operational environments, such as the lunar surface, present novel challenges for NASA and drive the need for advanced materials in applications like fission surface power systems. To address these demands, computational materials science is rapidly evolving to augment or replace costly and hazardous empirical testing. Although materials selection at NASA remains predominantly experimentally driven, advanced simulation methodologies are being steadily integrated into the engineering lifecycle. This work details the application of multiscale simulation techniques—including first-principles calculations, CALPHAD, dislocation dynamics, and molecular dynamics—at NASA's Ames Research Center to evaluate advanced materials for extreme environments. First, we present contributions to the Space Nuclear Propulsion Project. Be-cause propellant channel coatings in nuclear thermal rockets must withstand high-pressure, high-temperature hydro-gen, optimizing these materials is critical. First-principles calculations were employed to establish a rigorous quantitative and qualitative understanding of the behavior of the refractory carbides ZrC, NbC, and their mixtures in high-enthalpy hydrogen environments. This necessitated the generation of high-fidelity thermodynamic models for both stoichiometric and carbon-depleted carbides, both with and without the presence of hydrogen. Furthermore, we highlight efforts under the Refractory Alloy Additive Manufacturing Build Optimization (RAAMBO) project, where existing and novel alloy compositions were assessed for additive manufacturing printability and subsequent performance in applications such as heat pipes and rocket nozzle extensions. This was accomplished through a comprehensive multiscale simulation framework that bridged the gap from the nanometer to the millimeter scale. Across both initiatives, rigorous validation against empirical data was prioritized. By systematically employing a verified and validated computational frame-work, we demonstrate how simulation effectively supports multidisciplinary engineering efforts, builds project-wide confidence, and drives critical materials development.

computational materials

Synchronized Eruptions on Io: Possible Evidence of Interconnected Subsurface Magma Reservoirs

On 27 December 2024, Juno's JIRAM (Jovian InfraRed Auroral Mapper) instrument observed an unprecedented volcanic event in Io's southern hemisphere, covering a vast region of ∼65,000 km2, near 73°S, 140°E. Within the imaged region, only one hot spot was previously known (Pfd454). This feature was earlier estimated to cover an area of 300 km2 with a total power output of 34 GW. JIRAM results show that the region produces a power output of 140–260 TW, over 1,000 times higher than earlier estimates and likely exceeding the brightest eruption ever recorded on Io, that of Surt in 2001 (∼80 TW). Three adjacent hot spots also exhibited dramatic power increases: P139, PV18, and an unnamed feature south of the main one that surged to ∼1 TW, placing all of them among the top 10 most powerful hot spots observed on Io. A temperature analysis of the features supports the simultaneous onset of these brightenings and suggests a single eruptive event propagating beneath the surface across hundreds of kilometers; this is the first time this has been observed on Io. This in turn would imply a connection among the hotspots' magma reservoirs, while other nearby hotspots that have been known to be active in the recent past, such as Kurdalagon Patera, appear unaffected. The simultaneity supports models of massive, interconnected magma reservoirs. The topology of these regional magma systems may resemble that of a large-scale sponge, in which the massive reservoirs are the pores, interconnected through a largely solid outer shell.

A Mura

Colors of Jupiter's large anticyclones and the interaction of a Tropical Red Oval with the Great Red Spot in 2008

The nature and mechanisms producing the chromophore agents that provide color to the upper clouds and hazes of the atmospheres of the giant planets are largely unknown. In recent times, the changes in red coloration that have occurred in large- and medium-scale Jovian anticyclones have been particularly interesting. In late June and early July 2008, a particularly color-intense red tropical oval interacted with the Great Red Spot (GRS) leading to the destruction of the red tropical oval and cloud dispersion. We present a detailed study of the tropical vortices, usually white but sometimes red, and a characterization of their color spectral signatures and dynamics. From the spectral reflectivity in methane bands we study their vertical cloud structure compared to that of the GRS and BA. Using two spectral indices we found a near-correlation between anticyclones cloud top altitudes and red color. We present detailed observations of the interaction of the red oval with the GRS and model simulations of the phenomena that allow us to constrain the relative vertical extent of the vortices. We conclude that the vertical cloud structure, vertical extent and dynamics of Jovian anticyclones are not the causes of their coloration. We propose that the red chromophore forms when background material (a compound or particles) is entrained by the vortex, transforming into red once inside the vortex due to internal conditions, exposure to ultraviolet radiation or to the mixing of two chemical compounds that react inside the vortex, confined by a potential vorticity ring barrier.

red color

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE

Sulfur outgassing and in-gassing in lunar orange glass beads and implications for 33S “Anomaly” in the Moon

Our recent investigations have discovered inward diffusion (in-gassing) of moderately volatile elements (MVEs; e.g., Na, K and Cu) from volcanic gas into volcanic beads/droplets. In this work, we examine the distribution of sulfur in lunar orange glass beads. Our analyses reveal that sulfur exhibits a non-uniform distribution across the beads, forming “U” or “W” shaped profiles typical of in-gassing. A model developed to assess sulfur contributions from different sources (original magmatic sulfur versus atmospheric in-gassed sulfur) in the orange beads indicates that atmospheric sulfur in-gassed during eruption contributes approximately 9–24 % to the total sulfur content of an orange bead, averaging around 16 %. This in-gassed sulfur is derived from the eruption plume, where atmospheric sulfur could undergo photochemical reactions induced by UV light, leading to mass independent fractionation and a distinct sulfur isotope signature. Interestingly, a recent study discovered a small mass independent isotope fractionation of sulfur in lunar orange glass beads in drive tube 74002/1 and a lack of such mass independent isotope fractionation in black glass beads in the same lunar sample. This finding contrasts with sulfur in lunar basalts, which typically exhibit mass dependent fractionation. With our work, the observed mass independent fractionation signal in sulfur isotopes of orange beads can be attributed to the in-gassing of photolytic sulfur in the optically thin part of the eruption plume where UV light can penetrate. Using the sulfur isotope data of lunar orange beads, we estimate that the Δ33S value of atmospheric sulfur is approximately −0.18 ‰. Our study provides new insights into the complex dynamics of volatile elements in lunar volcanic processes, highlighting the role of in-gassing in shaping sulfur isotope signatures in volcanic glass beads.

Xue Su

Expanding the horizon of bio-naphtha beyond gasoline blend: property characterization and conversion opportunity assessment through technoeconomic and life-cycle analyses

Bio-naphtha, a common by-product of biorefineries, is expected to experience substantial growth in supply due to increasing demands for renewable diesel and synthetic aviation fuel (SAF). However, demand for bio-naphtha itself as a gasoline blendstock is limited because of the electrification of light-duty vehicles. This work investigated valorization opportunities for bio-naphtha from catalytic fast pyrolysis, hydrothermal liquefaction, Fischer–Tropsch synthesis, and hydrotreated esters and fatty acids pathways. These opportunities include producing polymer-grade olefin via steam cracking, SAF via steam cracking followed by olefin oligomerization, and renewable aromatics benzene, toluene, and xylene (BTX) and hydrogen via catalytic reforming. Process models were developed in Aspen Plus V14 and Aspen HYSYS V14 to calculate the mass and energy balances for each conversion step. Technoeconomic assessment and life-cycle analysis were conducted to evaluate the minimum fuel/product selling price, conversion cost, and life-cycle CO2 equivalent (CO2e) emission reduction. Technoeconomic assessment results suggest a minimum fuel/product selling price as low as $1.9/kg of olefins, $6.30/gal of gasoline-equivalent SAF, and $1.2/kg of BTX without any incentives. For all pathways, these prices are dominated by bio-naphtha feedstock costs, which account for at least 76% of the total cost. Compared with petroleum baselines, bio-naphtha-derived SAF, olefins, and BTX can achieve significant CO2e emission reductions from the use of renewable carbon resources. The results of life-cycle analysis and subsequent technoeconomic assessment, incorporating carbon credits, indicate the economic viability of using bio-naphtha for polymer-grade olefin and BTX production, with product costs comparable to market prices.

Xu, Shuang

Review of Carbon Support Coordination Environments for Single Metal Atom Electrocatalysts (SACS)

This topical review focuses on the distinct role of carbon support coordination environment of single-atom catalysts (SACs) for electrocatalysis. The article begins with an overview of atomic coordination configurations in SACs, including a discussion of the advanced characterization techniques and simulation used for understanding the active sites. A summary of key electrocatalysis applications is then provided. These processes are oxygen reduction reaction (ORR), oxygen evolution reaction (OER), hydrogen evolution reaction (HER), nitrogen reduction reaction (NRR), and carbon dioxide reduction reaction (CO 2 RR). The review then shifts to modulation of the metal atom-carbon coordination environments, focusing on nitrogen and other non-metal coordination through modulation at the first coordination shell and modulation in the second and higher coordination shells. Representative case studies are provided, starting with the classic four-nitrogen-coordinated single metal atom (M$-$N 4 ) based SACs. Bimetallic coordination models including homo-paired and hetero-paired active sites are also discussed, being categorized as emerging approaches. The theme of the discussions is the correlation between synthesis methods for selective doping, the carbon structure–electron configuration changes associated with the doping, the analytical techniques used to ascertain these changes, and the resultant electrocatalysis performance. In conclusion, critical unanswered questions as well as promising underexplored research directions are identified.

36 MATERIALS SCIENCE

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Collapse of magnetized white dwarfs as site of heavy-element formation and kilonova signal

We present the first end-to-end calculation connecting the accretion-induced collapse (AIC) of a magnetized, rapidly rotating white dwarf to observable kilonova signatures, combining two-dimensional (2D) general-relativistic neutrino-magnetohydrodynamic simulations, followed by radiation hydrodynamics with in-situ nuclear network and 2D Monte Carlo radiative transfer with spatially resolved heating rates. Unlike all previous unmagnetized AIC models – which predicted proton-rich, $^{56}$Ni-dominated ejecta – strong magnetic fields eject ${\approx }\, 0.2\, \mathrm{ M}_\odot$ of neutron-rich material ($\langle Y_e \rangle \sim 0.24$) on dynamical time-scales, before neutrino irradiation can raise the electron fraction, enabling strong r-process nucleosynthesis up to and beyond the third peak. The resulting kilonova is lanthanide-rich ($X_{\rm lan} \approx 8~{{\ \rm per\ cent}}$) and dominated by near-infrared emission. We compute synthetic light curves in the Large Synoptic Survey Telescope and J ames Webb Space Telescope bands and find striking agreement, without parameter tuning, between the observations of AT 2023vfi/GRB 230307A and our broadband light curves for polar viewing angles. These results establish magnetized AIC as a viable channel for heavy r-process element production and a compelling progenitor candidate for long-duration gamma-ray bursts with kilonova signatures.

MHD

End-To-End Decentralized Transmission Line Protection in IBR-Dominated Weak Grids Using Interpretable Data-Driven Methods

Traditional transmission line protection relies on predictable synchronous-based fault signatures, which frequently fail under the non-standard, current-limited fault characteristics of Inverter-Based Resources (IBRs). This study investigates how to achieve secure, communication-free fault isolation in IBR-dominated weak grids without relying on opaque, computationally heavy "black-box" machine learning algorithms. To address this, we propose a novel, standalone, and inherently interpretable data-driven protection framework. Unlike centralized methods requiring multi-terminal communication, this decentralized approach relies solely on local measurements using a hierarchical linear-kernel Support Vector Machine (SVM). The methodology decomposes the protection task into four sequential stages that mimic traditional protection elements: fault detection and fault direction identification, fault type classification, zone classification, and location estimation. This multi-stage architecture allows for specialized feature engineering at each stage, combining high computational efficiency with logic traceability. The framework's end-to-end performance was validated via C-code and PSCAD/EMTDC co-simulation, utilizing a real-world utility network and an OEM black-box IBR model. The proposed relay achieves 97.2% overall accuracy and provides a reliable trip decision within a 2.5-cycle window. The results confirm 100% accuracy in fundamental fault detection, reliable zone selectivity across low to moderate fault resistances, and robust security against non-fault transients, proving its immediate viability for integration into commercial numerical relays.

24 POWER TRANSMISSION AND DISTRIBUTION

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys

Direct Measurement of Cl − Activity in Metal Chloride Molten Salts using a Cl 2 /Cl − Electrode

Molten metal chloride salts are promising candidates for advanced heat transfer fluids in generation IV nuclear reactors and beyond. The activity of the chloride ion in the salt has a large influence on the redox characteristics of the corresponding molten salt. There exists a knowledge gap for the direct measurement of chlorobasicity (Lewis basicity) in molten-salt mixtures. Here, the focus of this work was to develop a Cl 2 /Cl − electrode for the direct measurement of chloride activity in molten metal-chloride salt mixtures. The LiCl–KCl eutectic system was utilized as the reference melt to determine the change in chloride ion activity as increasing concentrations of MgCl 2 are added to the LiCl–KCl eutectic working electrode. The results of the measurements indicated a reduction in chloride ion activity as the concentration of magnesium chloride increased, consistent with the complexation of free chlorides by Lewis acidic magnesium cationic species. The Temkin model was used to estimate the thermodynamic properties of MgCl 4 2− complex.

Chloride

Effect of Microgravity on Several Visual Functions During STS Shuttle Missions

Many astronauts and cosmonauts have commented on apparent changes in their vision while on-orbit. Comments have included statements of supposed improved distance acuity to decreased near vision capability. The purpose of this study was to assess not only changes in visual acuity, but expand the assessment to several other visual functions for a comprehensive battery of tests. Vision was assessed using an innovative device, the Visual Function Tester - Model 1 (VFT-1), which presents the tests at optical infinity and includes critical flicker fusion, stereopsis to 10 seconds-of-arc, visual acuity in small steps to 20/7.7, cyclophoria, lateral and vertical phoria, and retinal rivalry. Vision was assessed 2 times prelaunch at L-14 days and L-7 days, 3-4 times while on-orbit, at landing, and 2 times postlanding at L+3 days and L+7 days. There were 26 STS astronauts that participated, with data on 20 astronauts used for analysis. There was a typical wide variability between subjects in baseline visual performance for each parameter at the prelaunch sessions. There was a slight but statistically significant decrease in visual acuity while on-orbit that was not clinically significant. For stereopsis (i.e. depth perception), there was a small improvement on-orbit that was not statistically significant. There were no changes during space flight for any of the other visual parameters tested. A few individuals showed apparent changes in acuity and stereopsis. The possibility exists that microgravity affects the visual system of some individuals differently, as with space adaptation syndrome. Repeat data on 2 astronauts showed good repeatability between the 2 flights. These results pertain to only short term space flight on the STS shuttle, and longer flights are necessary to determine if there is any relationship between mission duration and these visual functions.

Melvin R O'Neal

Photon-Counting Interferometry to Detect Geontropic Space-Time Fluctuations with GQuEST

The gravity from the quantum entanglement of space-time (GQuEST) experiment uses tabletop-scale Michelson laser interferometers to probe for fluctuations in space-time. We present a practicable interferometer design featuring a novel photon-counting readout method that provides unprecedented sensitivity, as it is not subject to the interferometric standard quantum limit. We evaluate the potential of this design to measure space-time fluctuations motivated by recent “geontropic” quantum gravity models. The accelerated accrual of Fisher information offered by the photon-counting readout enables GQuEST to detect the predicted quantum gravity phenomena within measurement times at least 100 times shorter than equivalent conventional interferometers. The GQuEST design, thus, enables a fast and sensitive search for signatures of quantum gravity in a laboratory-scale experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND