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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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686 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Quantitative Phase Analysis by Neutron Diffraction of Conventional and Advanced Aluminum Alloys Thermally Conditioned for Elevated-Temperature Applications

As the issue of climate change becomes more prevalent, engineers have focused on developing lightweight Al alloys capable of increasing the power density of powertrains. The characterization of these alloys has been focused on mechanical properties and less on the fundamental response of microstructures to achieve these properties. Therefore, this study assesses the quality of the microstructure of two high-temperature Al alloys (A356 + 3.5RE and Al-8Ce-10Mg), comparing them to T6 A356. These alloys underwent thermal conditioning at 250 and 300 °C for 200 h. Time-of-flight neutron diffraction experiments were performed before and after conditioning. The phase evolution was quantified using Rietveld refinement. It was found that the Si phase grows significantly (13–24%) in T6 A356, A356 + 3.5RE, and T6 A356 + 3.5RE alloys, which is typically correlated with a reduction in mechanical properties. Subjecting the A356 3.5RE alloy to a T6 heat treatment stabilizes the orthorhombic Al4Ce3Si6 and monoclinic β-Al5FeSi phases, making them resistant to thermal conditioning. These two phases are known for enhancing mechanical properties. Additionally, the T6 treatment reduced the vol.% of the cubic Al20CeTi2 and hexagonal ᴨ-Al9FeSi3Mg5 phases by 13% and 23%, respectively. These phases have detrimental mechanical properties. The Al-8Ce-10Mg alloy cubic β-Al3Mg2 phase showed significant growth (82–101%) in response to conditioning, while the orthorhombic Al11Ce3 phase remained stable. The growth of the beta phase is known to decrease the mechanical properties of this alloy. These efforts give valuable insight into how these alloys will perform and evolve in demanding high-temperature environments.

Chemistry↗
DOE OSTI2026

Anode-less Solid-State Li–S Batteries Enabled by Fe-Stabilized Polysulfides

Anode-less solid-state lithium-sulfur batteries (SSLSBs) with lithium sulfide (Li 2 S) as the cathode promise a high energy density and ease of manufacturing. However, Li 2 S is plagued by poor conductivity, sluggish activation kinetics, and a poor cycle life. Here, in this study, we report an FeCl 3 -activated Li 2 S (FLS) cathode with solid-state polysulfide intermediates generated through a redox reaction between FeCl 3 and Li 2 S. This strategy is shown to boost the electrical conductivity of Li 2 S by 7 orders of magnitude and lower the activation barrier. During cycling, Fe plays a significant role in stabilizing the highly active polysulfide species, contributing to the exceptional electrochemical performance. The FLS cathode achieves 80% capacity retention over 500 cycles with >99% Li 2 S utilization. Furthermore, a Li-metal-free (anode-less) full cell retained over 80% of its initial capacity after 240 cycles. This work underscores the promise of leveraging Fe-stabilized polysulfides in enabling high-energy, long-lasting, solid-state Li-S batteries.

25 ENERGY STORAGE↗
NASA NTRS2026

Coma Physics of an Interstellar Object: JWST Spatial-Spectral Mapping of 3I/ATLAS

We report a survey of molecular emission from cometary volatiles using the James Webb Space Telescope (JWST) toward interstellar object 3I/ATLAS carried out on UT 2025 December 22 and 23 at a heliocentric distance (\rh{}) of $2.37-2.41$ au. These measurements of CO, \ce{CO2}, \ce{H2O}, \ce{CH3OH}, and \ce{CH4} sampled molecular chemistry in 3I/ATLAS as it receded from its encounter with our Sun and entered the vicinity of the \ce{H2O} ice line --- the region between \rh{} = $2-3$ au where the temperature becomes too low for H$_2$O to vigorously sublime and CO and \ce{CO2} begin to control the overall activity. CO was the most abundant molecule, followed by \ce{H2O} and \ce{CO2}, whose molecular abundances with respect to CO were $(40.5\pm3.1)\%$ and ($41.6\pm0.3)\%$, respectively. This work presents spatial-spectral maps of column density and rotational temperature as a function of distance from the nucleus for all detected species. The spatial distributions of both quantities were highly anisotropic for the apolar species in the coma of 3I/ATLAS, yet were more nearly symmetric for the polar molecules. These results demonstrate how volatiles were segregated in the nucleus ices of 3I/ATLAS and reveal heating and cooling mechanisms in its coma. Derived maps of the ortho-to-para ratio (OPR) for \ce{H2O} were flat with increasing distance from the nucleus and consistent with a coma-averaged value $\mathrm{OPR}=2.7\pm0.2$, slightly less than the expected equilibrium value of three.

Nathan X Roth↗
DOE OSTI2025

Interleaved bond frustration in a triangular lattice antiferromagnet

Frustration of long-range order via lattice geometry amplifies fluctuations and generates ground states that are highly sensitive to perturbations. Traditionally, geometric frustration is used to engineer unconventional magnetic states; however, the charge degree of freedom and bond order can be similarly frustrated. Finding materials that host both frustrated magnetic and bond networks holds promise for engineering structural and magnetic states with the potential of coupling to one another via either magnetic or strain fields. Here we identify an unusual instance of this coexistence in the triangular lattice antiferromagnets LnCd 3 P 3 (Ln = lanthanides). These compounds feature two-dimensional planes of unique trigonal planar CdP 3 units with an underlying bond instability that is frustrated via emergent kagome ice correlations. This bond instability is interleaved in between layers of frustrated magnetic moments. Furthermore, our results establish LnCd 3 P 3 as a rare materials class in which frustrated magnetism is embedded within a dopable semiconductor with a frustrated bond order instability.

Gomez Alvarado, S. J. [University of California, S↗
DOE OSTI2022

Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene

Electrochemistry can provide an efficient and sustainable way to treat environmental waters polluted by chlorinated organic compounds. However, the electrochemical valorization of 1,2-dichloroethane (DCA) is currently challenged by the lack of a catalyst that can selectively convert DCA in aqueous solutions into ethylene. Here, in this work, we report a catalyst comprising cobalt phthalocyanine molecules assembled on multiwalled carbon nanotubes that can electrochemically decompose aqueous DCA with high current and energy efficiencies. Ethylene is produced at high rates with unprecedented ~100% Faradaic efficiency across wide electrode potential and reactant concentration ranges. Kinetic studies and density functional theory calculations reveal that the rate-determining step is the first C–Cl bond breaking, which does not involve protons—a key mechanistic feature that enables cobalt phthalocyanine/carbon nanotube to efficiently catalyse DCA dechlorination and suppress the hydrogen evolution reaction. The nanotubular structure of the catalyst enables us to shape it into a flow-through electrified membrane, which we have used to demonstrate >95% DCA removal from simulated water samples with environmentally relevant DCA and electrolyte concentrations.

Choi, Chungseok [Yale Univ., New Haven, CT (United↗
NASA NTRSDate not supplied

Battery Pack Shape Optimization using Transient Heat Conduction Coupled with Cell-Discharge Analysis

Battery electric systems exhibit significant time-dependence, especially when evaluated in the context of an aircraft mission profile with continually changing power demands. Additionally, when evaluating battery-powered aircraft concepts, it is important to accurately compute the temperature of the batteries and properly characterize the thermal response of the system. The temperature of the batteries has a significant impact on cell performance, in addition to safety considerations of maintaining battery temperatures below their operating limit. Because of these considerations, battery models for preliminary design and optimization of aircraft should include the capability to accurately compute the temperature distribution within the battery pack. Furthermore, battery pack designs should be as light-weight as possible to maximize the pack energy density, while also considering battery temperature limits. Here, we demonstrate a simultaneous trajectory and shape optimization of a battery pack concept, using a transient heat transfer finite element model coupled with a time-varying cell-discharge battery model to provide this capability. The transient finite-element analysis is done using TACS, and the cell-discharge battery model uses OpenMDAO and dymos. Including the transient finite element problem in the loop enables accurate temperatures that can be passed back to the cell discharge model, while the cell discharge model can supply the finite element model with time-varying heat boundary conditions, further benefiting the fidelity of the thermal response of the batteries. We first demonstrate the coupling capability between the battery cell-discharge model and the transient finite-element heat transfer through an optimization which computes the optimal current profile for the battery pack while ensuring the battery temperatures remain below their operational limit. We then build on this optimization by adding shape optimization to the problem, which allows us to consider a composite objective function which also minimizes the mass of the battery pack, while also producing an optimal current discharge profile.

Optimization↗
DOE OSTI2024

Coercivity enhancement in hematite/permalloy heterostructures across the Morin transition

Interfacial effects between antiferromagnetic (AFM) and ferromagnetic (FM) materials have long been a center of magnetism studies. Aside from the exchange bias occurring at the AFM/FM interface, controlling the coercivity is another significant topic in magnetic recordings. The coercivity of FM materials is often determined through varying grain size, alloy composition, density of defects, etc., which is set during material growth and offers limited room for modification after growth. Hematite (α - Fe 2 O 3 ) is an AFM material that undergoes a temperature-controlled spin-flip transition, the so-called Morin transition. This transition gives an extra degree of freedom making hematite an intriguing component to study the exchange coupling when interfaced with an FM material. Here, in this work, changes in the magnetic properties of soft magnetic permalloy (Ni 81 Fe 19 , or Py) thin films grown on hematite were studied across the Morin transition. Surprisingly, these samples showed a remarkable change in coercivity during the Morin transition. We attribute this effect to the magnetic domain mixture of hematite during the Morin transition. Our findings present a novel method of controlling the coercivity of plain ferromagnetic thin films.

Antiferromagnet↗
DOE OSTI2026

Flame stabilization in DME spray flames under engine-relevant conditions characterized by OH* chemiluminescence and formaldehyde laser-induced fluorescence

The transient and quasi-steady flame structures of Dimethyl Ether (DME) fuel sprays, produced by a single-hole injector (Spray D), were investigated using Planar Laser-Induced Fluorescence (PLIF) and chemiluminescence imaging in a constant-volume chamber under Engine Combustion Network (ECN) Spray A conditions (900 K ambient temperature, 60 bar ambient pressure, 1500 bar injection pressure, and 22.8 kg/m 3 ambient density). Low-temperature chemical reaction zones were visualized using formaldehyde (CH 2 O) PLIF with 355 nm excitation, while high-temperature flame regions were captured via chemiluminescence imaging of excited-state hydroxyl radicals (OH*). Both transient and quasi-steady flame structures clearly show the transition from CH 2 O to OH*, highlighting the progression from low- to high-temperature combustion, while the position of the flame is displaced for DME compared to reference hydrocarbon n-dodecane. Homogeneous reactor calculations with detailed chemistry and using adiabatic mixing for initial temperature show that CH 2 O peaks are significantly higher for DME at the same equivalence ratio, with a higher heat-release during the cool-flame regime with respect to the fuel heating value. Thus, the cool-flame dynamic as a precursor to high-temperature combustion and flame stabilization exhibit distinct behavior for DME relative to conventional hydrocarbons, and these phenomena are effectively resolved through the soot-free nature of DME and the high-speed, time-resolved diagnostics.

CH2O laser-induced fluorescence↗
NASA NTRS2026

NASA Hybrid Thermally Efficient Core (HyTEC) Phase 2 Q3’GFY25 to Q2’GFY26 Unlimited Rights Annual Report for CLIN 1 and 2

The HyTEC Phase 2 Project focuses on the development and demonstration of high-power density, small engine core gas turbine engine technologies. The focus of HyTEC on these small engine core technologies will provide direct benefits to the next single-aisle class aircraft in terms of thermal efficiency, as well as integrate with other technologies, through increased hybridization, as they mature to provide substantial continuous fuel burn reductions during the aircraft lifecycle. These advances will strengthen the US position in the commercial aviation engine market and enable cost benefits in commercial aviation. In Government fiscal year 26 the HyTEC Project was closed and contract moved to the Subsonic Vehicle Technologies and Tools Project. GE Aerospace is executing two major work plans as part of the HyTEC Phase 2 contract. The first is Contract Line-Item Number (CLIN) 001 and its objective is to mature High Pressure Turbine (HPT) aerodynamics technology to TRL 5 through multiple rigs so that it may be incorporated into a complete TRL 6 evaluation and unlock learnings for the engine core demonstration as applicable. CLIN 002, the second work plan, is to design, procure and test a cost shared portion of technologies on the TRL6 Compact Core test vehicle. The compact core demonstrated through HyTEC Phase 2 along with the HPT rig TRL advancement directly matures the technologies being developed as part of the CFM RISE demonstrator program which is targeting a more than 20% fuel burn reduction at the engine level versus today’s state of the art. The RISE program’s objective is to advance both the novel Open Fan architecture, compact core technologies and advanced systems such as hybrid electric needed to achieve the desired fuel burn reduction to TRL6 ahead of a new product introduction in the single-aisle class aircraft in the 2030s timeframe.

gas turbine engine↗
DOE OSTI2026

Pinning ångström-size solid ionic channels for rare-earth element separation

High-purity rare-earth elements are essential for modern technologies, yet current solvent extraction processes are energy-intensive and environmentally harmful because of inadequate selectivity and ligand toxicity. Although combining size exclusion and binding affinity can improve lanthanide separation, the role of long-range confinement remains underexplored. Here we report lanthanide separation in aqueous systems using extremely confined manganese oxide solid ionic channels with optimized layer spacing. Different lanthanides induce distinct solid-state phase transformations in manganese oxide, creating a strong driving force for separation. Two lanthanide groups, differing by ~1.4 Å in spacing, were identified and confirmed to be stable by density functional theory. The narrower confinement of heavier Group II lanthanides improves cross-group separation by increasing the dehydration barrier for lighter Group I lanthanides without inducing strong binding. Here, we further developed a strategy to pin the confinement dimensions and enhance same-group separation, increasing enrichment factors for La–Nd and La–Pr pairs from 1.6 ± 0.1 and 1.5 ± 0.1 to 5.4 ± 0.1 and 4.2 ± 0.1, respectively.

Chemical engineering↗
NASA NTRS2026

Polymer Composite Material Testing for a Cryotank Application

Composite cryotanks will play a key role in enabling the next generation of efficient aircraft. Carbon fiber reinforced polymer (CFRP) composites have the benefits of reduced weight and potentially higher structural strength compared to traditional metallic fuel tanks. A material screening study was conducted to inform material selection for liquid hydrogen (LH2) fuel storage. Three composite materials were considered because of their aerospace grade toughness, strength, and existing data to compare against. These materials were a thermoplastic low-melt polyaryletherketone (LM-PAEK)/carbon fiber (CF), thermoset/CF, and hybrid thermoset/thermoplastic polyurethane (TPU) veil/CF composite. Mechanical screening tests included tension, compression, in-plane shear (IPS), and tensile-tensile fatigue (TTF). Each material was tested at both a baseline (no liquid nitrogen/LN2 cycling) and 100 LN2-cycled conditions to determine the knockdown factor, if any, of each material when exposed to environmental loading effects in a cryotank. Results show minimal effects of the LN2-cycling compared against baseline values. The three materials behaved similarly in tension; however, the thermoplastic/CF had the highest IPS toughness. The hybrid thermoset/TPU/CF composite had the lowest IPS strength, compressive strength, and toughness. LN2-cycling had minimal effects on tensile-tensile fatigue performance of the thermoplastic/CF material. Mechanical data was captured to guide material down selection for future commercially viable hydrogen aircraft design. In its current state, there does not exist a consolidated, publicly available database for CFRP composite material performance data at cryogenic temperatures. The next step in this work is to test the thermoplastic and thermoset CFRP composites, as well as the neat resins, at LH2 relevant temperature (20 K) to capture this crucial material property data. These results are essential to inform cryotank design and modeling efforts. The process to start this next round of testing has begun. Planned mechanical tests include toughness (single-edge notched beam), tension (unidirectional and quasi-isotropic), thermal expansion, and thermal conductivity. Some tests will also be conducted at an intermediate temperature of 111 K relevant to liquid natural gas (LNG), another attractive fuel choice. The ultimate goal is to manufacture a sub-scale cryotank part that can pass relevant burst, fatigue, permeation, and thermal cycling tests. This work is a part of NASA’s Commercially viable Hydrogen Aircraft for Robust Growth in Efficiency (CHARGE) Project under the larger NASA Subsonic Vehicle Technologies and Tools (SVTT) Project.

composites↗
DOE OSTI2026

Nuclear–Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime

Hydrogen transfer is a critical component of many chemical and biological processes. The ratio of rate constants for hydrogen and deuterium transfer defines the H/D kinetic isotope effect (KIE), which is a powerful tool for elucidating hydrogen transfer mechanisms. Interpretation of experimental H/D KIEs relies on accurate and affordable computational methods. However, due to their light mass, hydrogen and deuterium can undergo tunneling, which is challenging to describe in multidimensional molecular systems. Herein, we introduce the nuclear–electronic orbital general rate theory (NEO-GRT), which enables the efficient prediction of H/D KIEs based on full-dimensional molecular quantum chemistry calculations. The NEO-GRT approach describes the hydrogen transfer rate constant with a general expression that spans the vibrationally adiabatic and nonadiabatic hydrogen tunneling regimes. The input quantities are computed using NEO density functional theory, which treats the transferring hydrogen or deuterium nucleus quantum mechanically on the same level as the electrons. We investigate two intramolecular proton transfer reactions in organic molecules at temperatures down to 50 K to evaluate the performance of NEO-GRT by comparison to transition state theory and ring-polymer instanton theory. The KIEs computed with NEO-GRT agree with those calculated using ring-polymer instanton theory for the full-dimensional molecular systems at the same level of electronic structure theory. This agreement indicates that NEO-GRT captures the deep hydrogen tunneling effects, in contrast to transition state theory, which neglects such effects. Given its relatively low computational cost, NEO-GRT is a promising approach for predicting H/D KIEs in large organic and organometallic systems.

Hydrogen↗
NASA NTRS2003

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

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

M R Shavers↗
NASA NTRS2026

Highly Porous Polyimide Gel for Use as Battery Separator with Room Temperature Ionic Liquid Electrolytes

Advanced aerospace vehicular concepts require advances in many existing technologies, including space power and energy storage systems. Batteries represent one of the major areas in need of improvement, both in terms of energy density and safety, with growing concerns over the fire safety of commercial lithium-ion batteries. This has prompted efforts to develop nonflammable battery components, namely the electrolyte and separator. Existing commercial lithium-ion batteries utilize polyolefin microporous membranes as separators with an electrolyte consisting of a lithium salt dissolved in a mixture of cyclic carbonate solvents. This separator/electrolyte combination has ionic conductivities in the range of 10 −2 to 10 −3 S/cm. However, the cyclic carbonate solvents are inherently flammable. Room-temperature ionic liquids (RTILs) appear to be a safer alternative. They offer good ionic conductivities and are inherently nonvolatile and nonflammable, giving them a safety advantage. However, many promising RTILs for battery electrolytes are not compatible with commercial polyolefin separator materials. Alternative separator materials, such as polyimides, are non-flammable and are capable of accepting RTILs into their structure. Polyimide gels, with a composition of 4,4′-oxydianiline, 3,3′,4,4′-tetracarboxylic dianhydride and cross-linked with Desmodur N3300A, possess an open-porous, fibrillar network architecture which offers a high degree of porosity (typically greater than 85% porosity) for lithium-ion transport and conduction, as well as good mechanical properties. Furthermore, these polyimide gels are compatible with selected imidazolium-based RTILs. Nonflammable separator/electrolyte systems with room-temperature conductivities in the range of 10 −3 S/cm have been evaluated. It has been demonstrated that 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was the most promising among six RTILs screened, in terms of both ionic conductivity and constant current cycling.

Polyimide↗
NASA NTRS1994

Resistance of Silicon Nitride Turbine Components to Erosion and Hot Corrosion/Oxidation Attack

Silicon nitride turbine components are under intensive development by AlliedSignal to enable a new generation of higher power density auxiliary power systems. In order to be viable in the intended applications, silicon nitride turbine airfoils must be designed for survival in aggressive oxidizing combustion gas environments. Erosive and corrosive damage to ceramic airfoils from ingested sand and sea salt must be avoided. Recent engine test experience demonstrated that NT154 silicon nitride turbine vanes have exceptional resistance to sand erosion, relative to superalloys used in production engines. Similarly, NT154 silicon nitride has excellent resistance to oxidation in the temperature range of interest - up to 1400 C. Hot corrosion attack of superalloy gas turbine components is well documented. While hot corrosion from ingested sea salt will attack silicon nitride substantially less than the superalloys being replaced in initial engine applications, this degradation has the potential to limit component lives in advanced engine applications. Hot corrosion adversely affects the strength of silicon nitride in the 850 to 1300 C range. Since unacceptable reductions in strength must be rapidly identified and avoided, AlliedSignal and the NASA Lewis Research Center have pioneered the development of an environmental life prediction model for silicon nitride turbine components. Strength retention in flexure specimens following 1 to 3300 hour exposures to high temperature oxidation and hot corrosion has been measured and used to calibrate the life prediction model. Predicted component life is dependent upon engine design (stress, temperature, pressure, fuel/air ratio, gas velocity, and inlet air filtration), mission usage (fuel sulfur content, location (salt in air), and times at duty cycle power points), and material parameters. Preliminary analyses indicate that the hot corrosion resistance of NT154 silicon nitride is adequate for AlliedSignal's initial engine applications. Protective coatings and/or inlet air filtration may be required to achieve required ceramic component lives in more aggressive environments.

Nitride↗
DOE OSTI2026

SOLPS-ITER modeling of a dedicated divertor for negative triangularity operation on DIII-D

The design of a new dedicated divertor for negative triangularity (NT) operation on DIII-D with neutral baffles and pumping is informed by SOLPS-ITER transport modeling. This dedicated NT divertor is the latest step in a progression of NT shapes with various divertor characteristics explored on DIII-D, including NT shapes at reduced triangularity and a campaign with stronger shaping that included new armored components on the outboard side. SOLPS simulations played a key role in these divertor designs. Interpretive simulations, using cross-field diffusivities constrained by experimental data in the NT Shelf shape were used to inform the design of the 2023 armor campaign components. A similar procedure used armor campaign data to predict conditions for the dedicated NT divertor. The predictive simulations were used to assess the divertor fluxes, detachment threshold, pumped flux, and neutral leakage. For the dedicated NT divertor, SOLPS simulations and two-point-modeling were used to show the relative impact of magnetic topology (mainly longer connection length) and divertor closure on the divertor conditions relative to the armor campaign. It is predicted that the dedicated NT divertor reaches detachment (measured by target ion flux rollover) at a lower upstream density (≈(1.75−−2.4)×1⁢019m−3) as compared to the armor campaign shape. For the preliminary design geometry, divertor closure reduces the neutral leakage by ≈10%. Parametric optimization indicating further ≈20%–60% improvement in the leakage flux and recycled flux crossing the pump entrance is possible for relatively minor changes to the divertor and baffle layout.

Lore, Jeremy [ORNL] (ORCID:000000029192465X)↗
DOE OSTI2026

Insulating ground state and 2−𝑘 magnetic structure of candidate Weyl hydrogen-atom K2⁢Mn3⁢(AsO4)3

The ideal Weyl "hydrogen-atom" semimetal exhibits only a single pair of Weyl nodes and no other trivial states at the Fermi energy. Such a material would be a panacea in the study of Weyl quasi-particles, allowing direct unambiguous observation of their topological properties. The alluaudite-like K2⁢Mn3⁢(AsO4)3 compound was recently proposed as such a material. Here, we use comprehensive experimental work and first-principle calculations to assess this prediction. We find K2⁢Mn3⁢(AsO4)3 crystallizes in the 𝐶⁢2/𝑐 symmetry with a quasi-one-dimensional Mn sublattice, growing as small needle-like crystals. Bulk property measurements reveal magnetic transitions at ≈8 and ≈4 K, which neutron scattering experiments show correspond to two distinct magnetic orders, first a partially ordered ferrimagnetic 𝐤𝟏=(0,0,0) structure at 8 K and a second transition of 𝐤𝟐=(1,0,0) at 4 K to a fully ordered state. Below the second transition, both ordering vectors are necessary to describe the complex magnetic structure with modulated spin magnitudes. Both of the best-fit magnetic structures in this work are found to break the symmetry necessary for the generation of Weyl nodes, though one of the magnetic structures allowed by 𝐤𝟏 does preserve this symmetry. However, the crystals are optically transparent and ellipsometry measurements reveal a large band gap, undermining expectations of semimetallic behavior. Density functional theory calculations predict an insulating antiferromagnetic ground state, in contrast to previous reports, and suggest potential frustration on the magnetic sublattice. Given the wide tunability of the alluaudite structure, we consider ways to push the system closer to a semimetallic state.

Taddei, Keith M [Argonne National Laboratory]↗
DOE OSTI2026

Manipulating Na/TM Ratio‐Driven Structural Heterogeneity of O3‐NaNi 1/3 Fe 1/3 Mn 1/3 O 2 Cathode for High‐Voltage Sodium‐Ion Batteries

The stability of O3-type NaNi 1/3 Fe 1/3 Mn 1/3 O 2 under high-voltage cycling is dictated by how synthesis encodes lattice strain and redox heterogeneity. Here, in this study, the role of Na:TM stoichiometry is systematically resolved by tuning the NaOH:precursor ratio during solid-state synthesis. The stoichiometric condition (Na:TM = 1.00) yields minimized microstrain, enabling uniform O3–P3 phase evolution and homogeneous multi-metal redox with preserved octahedral symmetry. In contrast, Na-excess compositions inherit disordered intermediates and heterogeneous distortion fields that trigger abrupt multiphase transitions and promote localized charge redistribution. In situ XRD captures the divergence in phase-transition pathways, TXM resolves particle-level redox heterogeneity, and XANES corroborates a stronger and more reversible Fe redox contribution at stoichiometry, shifting to diminished Fe participation and spatially inhomogeneous redox at higher Na content. These results establish Na:TM stoichiometry as a critical synthesis parameter controlling both structural coherence and redox stability. Electrochemically, the stoichiometric composition exhibits smooth voltage profiles with minimal polarization growth and retains nearly 80% of its initial capacity after 100 cycles even at an extended 4.2 V cutoff, whereas Na-excess compositions show significantly reduced initial coulombic efficiency and rapid voltage fade. Precise stoichiometric tuning provides a scalable route to defect-suppressed O3 frameworks, enabling structurally resilient, high-voltage sodium-layered cathodes.

36 MATERIALS SCIENCE↗