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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Search for Ultraheavy Dark Matter from Observations of Dwarf Spheroidal Galaxies with VERITAS

Dark matter is a key piece of the current cosmological scenario, with weakly interacting massive particles (WIMPs) a leading dark matter candidate. WIMPs have not been detected in their conventional parameter space (100 GeV ≲Mχ ≲ 100 TeV), a mass range accessible with current Imaging Atmospheric Cherenkov Telescopes. As ultraheavy dark matter (UHDM; Mχ ≳ 100 TeV) has been suggested as an underexplored alternative to the WIMP paradigm, we search for an indirect dark matter annihilation signal in a higher mass range (up to 30 PeV) with the VERITAS γ-ray observatory. With 216 hr of observations of four dwarf spheroidal galaxies, we perform an unbinned likelihood analysis. We find no evidence of a γ-ray signal from UHDM annihilation above the background fluctuation for any individual dwarf galaxy nor for a joint-fit analysis, and consequently constrain the velocity-weighted annihilation cross section of UHDM for dark matter particle masses between 1 TeV and 30 PeV. We additionally set constraints on the allowed radius of a composite UHDM particle.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Laser gain media fabricated via direct ink writing (DIW) and ceramic processing

A transparent ceramic optic includes: a lasing region comprising at least one lasing species dopant; and a transparent region transparent to light generated by the lasing species. At least the transparent region is doped with at least one other dopant species such that the lasing region and the transparent region are characterized by a difference in refractive index between the two regions in an amount of about 1.0×10−4 or less. Inventive formulations of inks suitable for fabricating transparent ceramic optics having desirable compositional characteristics such as concentration gradients in desired spatial arrangements, e.g. using additive manufacturing techniques such as direct ink writing and/or extrusion freeform fabrication are also disclosed, along with suitable techniques for forming the transparent ceramic optics from such inks.

Payne, Stephen A.↗
DOE OSTI2022

Nuclide inventory characterization of EBR-II MOX fuel test pins

Characterization of 3 mixed oxide (MOX) fuel pins from the Experimental Breeder Reactor II (EBR-II) SPA-2/-2B experiment program was performed in support of the Advanced Reactor Experiments for Sodium Fast Reactor Fuels (ARES) joint project between Idaho National Laboratory (INL) and the Japan Atomic Energy Agency (JAEA). The characterization efforts were performed to enable transient testing in the Transient Reactor Test (TREAT) facility at INL and will include post irradiation examination (PIE) and other analyses. MOX fuel pins UW02009, 02011, and 06024 were historically irradiated from 1989 to 1994 for a total of 822.42 effective full power days (EFPDs) and peak burnup of approximately 14.3 at.% (atomic percent of heavy metal atoms, ∼134.4 GWd/t). They had since been placed in storage until a future use was identified. Characterization of the fission products and activation of each fuel pin was necessary to enable removal from storage and subsequent irradiation testing or PIE activities. The initial fuel pin geometry and composition were established using historical documentation. Irradiation history details were utilized to compute irradiated and decayed fuel pin masses, atomic densities, and activities. A pellet-wise axial neutron flux was also computed to assist in evaluation of the axial distribution of {sup 235}U and {sup 239}Pu, per pellet, within each of the test fuel pins. The results computed herein supported experiment design for advanced high-burnup MOX fuel designs under slow transient overpower (MOXTOP) conditions, which was Phase I of the ARES project. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Exploiting the Spinel Structure for Li-ion Battery Applications: A Tribute to John B. Goodenough

This review provides a personal account of career-long efforts, interwoven with the contributions of others, to exploit the [B 2 ]O 4 framework of an A[B 2 ]O 4 spinel structure for lithium-ion battery applications, where A = Li, and B is one or more metal cations. The narrative begins at the Council for Scientific and Industrial Research (CSIR) in South Africa in the mid-1970s when, in response to the Middle East oil crisis, worldwide efforts were turned to develop high-temperature sodium and lithium batteries to power electric vehicles. In 1981, results in CSIR's program on a high-temperature lithium battery led to a collaborative project on room-temperature lithium cells with Prof. John B. Goodenough at Oxford University, where studies of Fe 3 O 4 , Mn 3 O 4 , and LiMn 2 O 4 cathodes led to the recognition of the broad utility of the [B2]O4 spinel framework as an anode, cathode, or solid electrolyte for rechargeable lithium cells. This finding has had a profound and lasting impact, influencing further ideas and discoveries at the CSIR, Argonne National Laboratory, and elsewhere. The narrative emphasizes the compositional versatility of the spinel structure and the opportunities to tailor the electrochemical potential and stability of a Li-ion cell.

25 ENERGY STORAGE↗
DOE OSTI2026

Data mining and computational screening of Rashba-Dresselhaus splitting and optoelectronic properties in two-dimensional perovskite materials

Recent developments highlighting the promise of two-dimensional perovskites have vastly increased the compositional search space in the perovskite family. This presents a great opportunity for the realization of highly performant devices and practical challenges associated with the identification of candidate materials. High-fidelity computational screening offers great value in this regard. In this study, we carry out a multiscale computational workflow, generating a dataset of two-dimensional perovskites in the Dion-Jacobson and Ruddlesden-Popper phases. Our dataset comprises ten B-site cations, four halogens, and over 20 organic cations across over 2000 materials. We compute electronic properties, thermoelectric performance, and numerous geometric characteristics. Furthermore, we introduce a framework for the high-throughput computation of Rashba-Dresselhaus splitting. Finally, we use this dataset to train machine learning models for the accurate prediction of band gaps, candidate Rashba-Dresselhaus materials, and partial charges. The work presented herein can aid future investigations of two-dimensional perovskites with targeted applications in mind.

14 SOLAR ENERGY↗
DOE OSTI2026

Analysis of RF Sheath-Driven Tungsten Erosion at RF Antenna in the WEST Tokamak

This study applies the newly developed STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to analyze tungsten (W) erosion at RF antenna structures in the WEST tokamak. STRIPE integrates SolEdge3x for edge plasma backgrounds, COMSOL for 3D RF sheath potentials, RustBCA for sputtering yields, and GITR for impurity transport and ion energy–angle distributions. Building on prior work by Kumar et al. (2025) Nuclear Fusion, 65, 076039, which validated STRIPE for WEST ICRH discharge #57877, the present study provides a spatially resolved assessment of gross W erosion at both Q2 antenna limiters under ohmic and ICRH conditions. Simulations using 2D SolEdge3x profiles in COMSOL capture rectified sheath potentials exceeding 300 V, leading to strong upper-limiter localization. Both poloidal and toroidal asymmetries are observed and attributed to RF sheath effects, with modeled erosion patterns deviating from experiment—highlighting sensitivity to sheath geometry and plasma resolution. Erosion is driven primarily by high-charge-state oxygen ions (O6+–O8+), while D+ plays a negligible role. Assuming a plasma composition of 1% oxygen and 98% deuterium, STRIPE predicts a 30-fold increase in gross W erosion from ohmic to ICRH phases, consistent with a >25-fold rise in W-I (400.9 nm) brightness. Quantitative agreement is within 5% in the ohmic phase and 30% under ICRH, demonstrating predictive capability. Importantly, the study shows that the magnitude of ICRH-driven W erosion depends strongly on the concentration of light impurities (O, B, N, C), which drive sputtering through high charge states. Cleaner plasma conditions with reduced impurity content are therefore expected to substantially mitigate antenna W sources in WEST and other toroidal fusion devices. These findings establish STRIPE as a predictive framework for RF-induced plasma–material interactions and support its application to reactor-scale antenna design.

Kumar, Atul [ORNL] (ORCID:0000000277475210)↗
DOE OSTI2021

Suppression of antiferromagnetic order and strong ferromagnetic spin fluctuations in Ca(Co 1-x Ni x ) 2-y As 2 single crystals

CaCo 2–y As 2 is a unique itinerant system having strong magnetic frustration. Here, we report the effect of electron doping on the physical properties resulting from Ni substitutions for Co. The single crystals of Ca(Co 1–x Ni x ) 2–y As 2 were characterized by single-crystal x-ray diffraction, energy-dispersive x-ray spectroscopy, magnetization M versus temperature T, magnetic field H, time t, and heat capacity C p (H, T) measurements. The A-type antiferromagnetic (AFM) transition temperature T N = 52 K for x = 0 decreases to 22 K with only 3% Ni substitution and is completely suppressed for x > 0.16. For 0.11 ≤ x ≤ 0.52 strong ferromagnetic (FM) fluctuations develop as revealed by magnetic susceptibility χ(T) = M(T) / H measurements. For x = 0.11 and 0.16 competing AFM and FM interactions result in a reentrant spin-glass behavior below T N , as evidenced by the observations of thermomagnetic hysteresis and magnetic relaxation. Enhanced FM fluctuations are also found for the x = 0.21 and 0.31 crystals, where χ c increases significantly at low T. A large χ anisotropy in these compositions where χ c is up to a factor of two larger than χ ab suggests that the FM spin fluctuations are quasi-1D in nature. Weak ferromagnetic contributions to the magnetization are found at T = 2 K for x = 0.11 –0.31. Heat-capacity Cp(T) measurements reveal the presence of FM quantum spin fluctuations for 0.11 ≤ x ≤ 0.52, where a logarithmic T dependence of Cp(T) / T is observed at low T. Here, the suppression of AFM order by the development of strong FM fluctuations in Ca(Co 1–x Ni x ) 2–y As 2 crystals suggests the presence of a FM quantum-critical point at x ≈ 0.20. Our density-functional theory (DFT) calculations confirm that FM fluctuations are enhanced by Ni substitutions for Co in CaCo 2–y As 2 . The Sommerfeld electronic heat-capacity coefficient is enhanced for x = 0, 0.21, and 0.42 by about a factor of two compared to DFT calculations of the density of states (DOS) at the Fermi energy, suggesting an enhancement of the DOS from electron-phonon and/or electron-electron interactions. The crystals with x > 0.52 do not exhibit FM spin fluctuations or magnetic order at T ≥ 1.8 K, which was found from the DFT calculations to arise from a Stoner transition. Superconductivity is not observed above 1.8 K for any of the compositions. Neutron-diffraction studies of crystals with x = 0.11 and 0.16 in the crossover regime (0.1 ≲ x ≲ 0.2) show no evidence of A-type ordering as observed in the parent compound with x = 0. Furthermore, no other common magnetic structures, such as ferromagnetic (FM), helical stacking of in-plane FM layers, or in-plane AFM structure, are found with an ordered moment greater than the uncertainty of 0.05 μ B per transition-metal atom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Low predictability of energy balance traits and leaf temperature metrics in desert, montane and alpine plant communities

Abstract Leaf energy balance may influence plant performance and community composition. While biophysical theory can link leaf energy balance to many traits and environment variables, predicting leaf temperature and key driver traits with incomplete parameterizations remains challenging. Predicting thermal offsets ( δ , T leaf − T air difference) or thermal coupling strengths ( β , T leaf vs. T air slope) is challenging. We ask: (a) whether environmental gradients predict variation in energy balance traits (absorptance, leaf angle, stomatal distribution, maximum stomatal conductance, leaf area, leaf height); (b) whether commonly measured leaf functional traits (dry matter content, mass per area, nitrogen fraction, δ 13 C, height above ground) predict energy balance traits; and (c) how traits and environmental variables predict δ and β among species. We address these questions with diurnal measurements of 41 species co‐occurring along a 1,100 m elevation gradient spanning desert to alpine biomes. We show that (a) energy balance traits are only weakly associated with environmental gradients and (b) are not well predicted by common functional traits. We also show that (c) δ and β can be partially approximated using interactions among site environment and traits, with a much larger role for environment than traits. The heterogeneity in leaf temperature metrics and energy balance traits challenges larger‐scale predictive models of plant performance under environmental change. A free Plain Language Summary can be found within the Supporting Information of this article.

Blonder, Benjamin↗
DOE OSTI2025

Additive Manufacturing of Thermal Energy Storage Composites with Microencapsulated Phase Change Materials Supported in a Multipolymer Matrix

Additive manufacturing (AM) techniques to directly integrate phase change materials (PCMs) are of interest for efficient thermal energy storage (TES) architectures. Complex, high surface-to-volume ratio composites embedded with PCM can improve thermal management with reduced material waste for customizable device fabrication. Reducing feature sizes of TES-integrated heat exchangers using AM can increase heat transfer without thermal conductivity enhancement. Here, composite AM materials containing 60 wt% microencapsulated phase change materials (MEPCM) are fabricated using off-the-shelf printers at common speeds and resolutions. High MEPCM loading in filaments is achieved with powder extrusion using two polymers, thermoplastic-polyurethane (TPU) and polycaprolactone (PCL), that mediate flexibility and rigidity for effective extrusion and printing without filament fracture or buckling. Furthermore, with PCL and TPU at 20 wt% each and 60 wt% MEPCM (P 20 T 20 M 60 ), smooth, form-stable filaments are consistently printed. Powder-based extrusion displays negligible damaging effects on the MEPCM. Printed P 20 T 20 M 60 demonstrates 105 J/g of energy storage with no degradation through 250 thermal cycles, within 5% of the theoretical storage enthalpy. Combining PCL/TPU shows good interfacial adhesion between print layers and produces high surface area objects, like 15% gyroids, and dense, 100% infilled pucks. Prints are also scalable to a 900 cm 3 honeycomb heat exchanger with an estimated 9 Wh energy storage.

25 ENERGY STORAGE↗
DOE OSTI2020

Optimization of the JUNO liquid scintillator composition using a Daya Bay antineutrino detector

To maximize the light yield of the liquid scintillator (LS) for the Jiangmen Underground Neutrino Observatory (JUNO), a 20 t LS sample was produced in a pilot plant at Daya Bay. The optical properties of the new LS in various compositions were studied by replacing the gadolinium-loaded LS in one antineutrino detector. The concentrations of the fluor, PPO, and the wavelength shifter, bis-MSB, were increased in 12 steps from 0.5 g/L and 0.01 mg/L to 4 g/L and 13 mg/L, respectively. The numbers of total detected photoelectrons suggest that, with the optically purified solvent, the bis-MSB concentration does not need to be more than 4 mg/L. In order to bridge the one order of magnitude in the detector size difference between Daya Bay and JUNO, the Daya Bay data were used to tune the parameters of a newly developed optical model. Then, the model and tuned parameters were used in the JUNO simulation. Overall, this enabled to determine the optimal composition for the JUNO LS: purified solvent LAB with 2.5 g/L PPO, and 1 to 4 mg/L bis-MSB.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Thermal Property Modeling and Assessment of the Physical Properties of FLiNaK

Here, the thermodynamic properties of the LiF–NaF–KF system and its subsystems were re-evaluated using the CALPHAD method, focusing on the deviations from ideality in the heat capacity [C p (T)] of mixtures, temperature-dependence of mixing enthalpies (Δ mix H), vapor pressures of mixtures, and enthalpies of fusion (ΔH fus ) using reported values and measurements. The results of this work confirmed a pseudoternary eutectic at 732.9 K and 46.5LiF–11.5NaF–42KF mol % (FLiNaK) with determined Cp(T) = 69.822 + 0.000679T + 2,137,152T –2 J mol –1 K –1 (732.9 < T < 1200 K) and ΔH fus = 18,051 J mol –1 in good agreement to the experimental values. The resulting accurate thermodynamic representation can be used to find relevant excess thermochemical properties in the whole pseudoternary space and provide insights into their composition and temperature dependence. A detailed evaluation of select thermophysical properties was also conducted to determine recommended density, thermal diffusivity, thermal conductivity, vapor pressures, and boiling point with calculated uncertainties over the temperature range of interest for FLiNaK–salt energy applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Building wet planets through high-pressure magma–hydrogen reactions

Close-in transiting sub-Neptunes are abundant in our Galaxy. Planetary interior models based on their observed radius–mass relationship suggest that sub-Neptunes contain a discernible amount of either hydrogen (dry planets) or water (wet planets) blanketing a core composed of rocks and metal. Water-rich sub-Neptunes have been believed to form farther from the star and then migrate inwards to their present orbits. Here we report experimental evidence of reactions between warm, dense hydrogen fluid and silicate melt that release silicon from the magma to form alloys and hydrides at high pressures. We found that oxygen liberated from the silicate melt reacts with hydrogen, producing an appreciable amount of water up to a few tens of weight per cent, which is much greater than previously predicted based on low-pressure ideal gas extrapolation. Consequently, these reactions can generate a spectrum of water contents in hydrogen-rich planets, with the potential to reach water-rich compositions for some sub-Neptunes, implying an evolutionary relationship between hydrogen-rich and water-rich planets. Therefore, detection of a large amount of water in exoplanet atmospheres may not be the optimal evidence for planet migration in the protoplanetary disk, calling into question the assumed link between composition and planet formation location.

Horn, H. W. [Arizona State University, Tempe, AZ (↗
DOE OSTI2021

TIC 168789840: A Sextuply Eclipsing Sextuple Star System

We report the discovery of a sextuply eclipsing sextuple star system from TESS data, TIC 168789840, also known as TYC 7037-89-1, the first known sextuple system consisting of three eclipsing binaries. The target was observed in Sectors 4 and 5 during Cycle 1, with lightcurves extracted from TESS Full Frame Image data. It was also previously observed by the WASP survey and ASAS-SN. The system consists of three gravitationally bound eclipsing binaries in a hierarchical structure of an inner quadruple system with an outer binary subsystem. Follow-up observations from several different observatories were conducted as a means of determining additional parameters. The system was resolved by speckle interferometry with a 0.″42 separation between the inner quadruple and outer binary, inferring an estimated outer period of ∼2 kyr. It was determined that the fainter of the two resolved components is an 8.217 day eclipsing binary, which orbits the inner quadruple that contains two eclipsing binaries with periods of 1.570 days and 1.306 days. Markov Chain Monte Carlo (MCMC) analysis of the stellar parameters has shown that the three binaries of TIC 168789840 are “triplets,” as each binary is quite similar to the others in terms of mass, radius, and T {sub eff}. As a consequence of its rare composition, structure, and orientation, this object can provide important new insight into the formation, dynamics, and evolution of multiple star systems. Future observations could reveal if the intermediate and outer orbital planes are all aligned with the planes of the three inner eclipsing binaries.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

A combined experimental and computational analysis of failure mechanisms in open-hole cross-ply laminates under flexural loading

In this work, integrated experimental tests and computational modeling are proposed to investigate the failure mechanisms of open-hole cross-ply carbon fiber reinforced polymer (CFRP) laminated composites. In particular, we propose two effective methods, which include width-tapered double cantilever beam (WTDCB) and fixed-ratio mixed-mode end load split (FRMMELS) tests, to obtain the experimental data more reliably. We then calibrate the traction-separation laws of cohesive zone model (CZM) used among laminas of the composites by leveraging these two methods. The experimental results of fracture energy, i.e. G Ic and G Tc , obtained from WTDCB and FRMMELS tests are generally insensitive to the crack length thus requiring no effort to accurately measure the crack tip. Moreover, FRMMELS sample contains a fixed mixed-mode ratio of G IIc /G Tc depending on the width taper ratio. Examining comparisons between experimental results of FRMMELS tests and failure surface of B–K failure criterion predicted from a curve fitting, good agreement between the predictions and experimental data has been found, indicating that FRMMELS tests are an effective method to determine mixed-mode fracture criterion. In addition, a coupled experimental-computational modeling of WTDCB, edge notched flexure, and FRMMELS tests are adopted to calibrate and validate the interfacial strengths. Finally, failure mechanisms of open-hole cross-ply CFRP laminates under flexural loading have been studied systematically using experimental and multi-scale computational analyses based on the developed CZM model. The initiation and propagation of delamination, the failure of laminated layers as well as load-displacement curves predicted from computational analyses are in good agreement with what we have observed experimentally.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Encapsulation of Ba in InSb Framework Introduces Chirality in Clathrate-Like BaIn 4 Sb 4

The discovery of Zintl compounds remains a powerful strategy for identifying materials with tunable electronic and thermal transport properties. During a concerted search for new inorganic clathrates with In–Sb frameworks, we discovered BaIn 4 Sb 4 . The composition of this phase deviates from that expected for a type-I clathrate with tetrahedral coordination of all In and Sb atoms (Ba 8 In 31 Sb 15 ). Instead, in the chiral structure of BaIn 4 Sb 4 (space group P 3 1 21, No. 152), a part of the In atoms have a trigonal planar coordination of 1In + 2Sb, forming Sb 2 –In–In–Sb 2 nonplanar fragments isostructural to diborane(4) B 2 H 4 with D 2 d symmetry. Ba atoms are located inside 16-vertex In 8 Sb 8 polyhedra, which share vertices and edges to form a chiral framework around the 3 1 screw axes. The title compound is electron-balanced, [Ba 2+ ][In 2+ ] 2 [In 3+ ] 2 [Sb3–] 4 , which was confirmed by characterization of the charge and heat transport properties. BaIn 4 Sb 4 exhibits a low thermal conductivity and high Seebeck coefficient, suggesting its untapped potential for thermoelectric applications. Finally, density functional theory (DFT) calculations indicate that chemical doping may enhance carrier concentration and improve the originally low electrical conductivity, thus enhancing thermoelectric performance.

electrical properties↗
DOE OSTI2024

Completing the Ba–As Compositional Space: Synthesis and Characterization of Three New Binary Zintl Arsenides, Ba3As4, Ba5As4, and Ba16As11

Three novel binary barium arsenides, Ba3As4, Ba5As4, and Ba16As11, were synthesized and their crystal and electronic structures were investigated. Structural data collected via the single-crystal X-ray diffraction method indicate that the anionic substructures of all three novel compounds are composed of structural motifs based on the homoatomic As–As contacts, with [As2]4− dimers found in Ba5As4 and Ba16As11, and an [As4]6− tetramer found in Ba3As4. Ba3As4 and Ba5As4 crystallize in the orthorhombic crystal system—with the non-centrosymmetric space group Fdd2 (a = 15.3680(20) Å, b = 18.7550(30) Å, c = 6.2816(10) Å) for the former, and the centrosymmetric space group Cmce (a = 16.8820(30) Å, b = 8.5391(16) Å, and c = 8.6127(16) Å) for the latter—adopting Eu3As4 and Eu5As4 structure types, respectively. The heavily disordered Ba16As11 structure was solved in the tetragonal crystal system with the space group P4¯21m (a = 12.8944(12) Å and c = 11.8141(17) Å). The Zintl concept can be applied to each of these materials as follows: Ba3As4 = (Ba2+)3[As4]6−, Ba5As4 = (Ba2+)5(As3−)2[As2]4−, and 2 × Ba16As11 = (Ba2+)32(As3−) ≈ 20[As2]4− ≈ 1, pointing to the charge-balanced nature of these compounds. Electronic structure calculations indicate narrow bandgap semiconducting behavior, with calculated bandgaps of 0.47 eV for Ba3As4, 0.34 eV for Ba5As4, and 0.33 eV for Ba16As11.

Crystallography↗
DOE OSTI2022

In-situ radiation response of additively manufactured modified Inconel 718 alloys

Here in this study, a novel alloy of modified Inconel 718 produced by laser powder bed fusion is studied before and after in-situ Kr irradiation up to 3 dpa at 200 and 450 °C. Before irradiation, the microstructure consists of dislocation cells having a misorientation angle less than 5° and with an average size of ~500 nm. There are also second phase particles of MC type carbides, Laves phase and oxides such as Y-O, Y-(Ti)-Al-O. While the microstructure consists of stacking fault tetrahedra, faulted and perfect loops after irradiation at 200 °C, dislocation loops are the primary defects at 450 °C. With increasing dose, the size of the defects remains similar at 200 °C while it increases at 450 °C. This has been attributed to the existence of vacancy type defects at 200 °C and the different defect transport mechanisms at different temperatures. Moreover, matrix and second phase particle compositions seem to be similar after irradiation. The sink strengths of the structures have been calculated and superior radiation resistance of this alloy has been attributed to the existence of fine cell boundaries stabilized by the second phase particles produced by additive manufacturing.

36 MATERIALS SCIENCE↗