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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Jump-Start U.S. Manufacturing of High-Performance Permanent Magnets

Gas atomized feedstock powders for Nd-Fe-B based magnets are more robust and cost effective than the strip-cast sheet currently used as feedstock for milling by the magnet industry. However, gas atomized powder’s crystallinity and grain boundary phases are less ideal than the strip cast flake. We proposed to optimize the atomization process as well as the powder chemistry to address this issue and to eliminate heavy rare earth elements from these magnet alloys. Our goal is to help GKN-Hoeganaes, a US metal powder company, who used to make Nd-Fe-B magnets, to bring back US manufacturing of these high energy density permanent magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Sub-angstrom strain in high-entropy intermetallic boosts the oxygen reduction reaction in fuel cell cathodes

The strain effect of high-entropy intermetallic (HEI) catalysts on oxygen reduction reaction (ORR) performance remains largely unexplored, primarily due to the significant challenges associated with characterizing and calculating the intricate local coordination environments. Here, we design a nitrogen (N)-doped L1 0 -ordered PtCoNiFeCu intermetallic catalyst supported on Ketjenblack carbon (N-HEI/KB), and reveal the origin of the sub-angstrom strain in N-HEI and its impact on ORR performance by combining atomic-scale characterization and theoretical calculations. The synergistic interplay of the sub-angstrom strain, the pinning effect of metal-N bonds, and the high-entropy effect contribute to the competitive stability of N-HEI/KB catalysts, providing high current density of 1388 mA cm -2 at 0.7 V after 90,000 cycles even under harsh heavy-duty vehicle conditions. These findings broaden the avenues for designing high-performance high-entropy intermetallic cathode electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

New proton emitter 188 At implies an interaction unprecedented in heavy nuclei

We report the discovery of a new atomic nucleus 188 At, which is the heaviest proton-emitting isotope known to date. The new activity was observed through the 107 Ag( 84 Sr, 3n) 188 At fusion-evaporation reaction using the focal-plane spectrometer of the gas-filled recoil separator in the Accelerator Laboratory of the University of Jyväskylä, Finland. To fully interpret the experimental data, we have expanded the non-adiabatic quasiparticle model to treat nuclei in the beyond-lead region. The description reproduced the measured decay rate and pointed towards emission from an extremely prolate-deformed state with a dominant s 1/2 proton component in the wave function. The Thomas-Ehrman shift can be enhanced in low angular momentum states, but such effects have not been observed in heavy nuclei. The single-proton separation energy of 188 At deviates from that extrapolated from the systematics, which can be interpreted as the first evidence of this effect in heavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Distinctive features of fluorescence and waveguides in magnesium aluminate spinel crystals driven by structural discrepancy

Transparent polycrystalline ceramics are of significant importance for a wide range of scientific and industrial applications. Developing a deeper understanding of their thermodynamic behavior is essential for achieving their maximum output performance in technological applications. This study provides a systematic investigation into the thermal excitation-induced fluorescence kinetics and waveguide characteristics of Magnesium Aluminate Spinel (MgAl 2 O 4 ) single crystals, with a focus on the intricate relationship between structure and properties. High-temperature extreme environments through irradiation with swift heavy ions 645.0 MeV Xe and 352.8 MeV Fe ions were created; the atomic deposition energy threshold (E th ) associated with disorder morphologies was assessed between 0.91 and 0.99 eV atom –1 . The track prediction model was developed to support the theoretical prediction of track formation. Electronic energy loss (E ele ) disrupts the balance of the initial structure through the thermal spike effect, leading to the formation of absorption-related F and F + color centers. These defects enhance photoluminescence in the visible spectrum and result in an effective modulation of the intrinsic bandgap. Moreover, as ion beams penetrate into the material, the uneven damage distribution induces the formation of waveguide structures. In conclusion, these findings provide valuable insights into the fabrication of functional devices through irradiation technologies and the structural changes of MgAl 2 O 4 at high temperatures within extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Eliminating beam-induced depolarizing effects in the hydrogen jet target for high-precision proton beam polarimetry at the electron-ion collider

We analyze beam-induced depolarizing effects in the hydrogen jet target (HJET) at the relativistic heavy ion collider (RHIC), which has been used for absolute hadron beam polarimetry and shall be employed at the electron-ion collider (EIC). The EIC’s higher bunch repetition frequencies and shorter bunch durations shift beam harmonics to frequencies that can resonantly drive hyperfine transitions in hydrogen, threatening to depolarize the target atoms. Using frequency-domain analysis of beam harmonics and hyperfine transition frequencies, we establish a photon emission threshold above which beam-induced fields are too weak to cause significant depolarization. For EIC injection (23.5 GeV) and flattop (275 GeV), beam-induced depolarization through the bunch structure renders operation at the current RHIC magnetic guide field at the target (𝐵 0 =120⁢ mT) untenable. Increasing the magnetic guide field at the target to 𝐵 0 ≈ 400⁢ mT moves all hyperfine transition frequencies to at least 3 times the cutoff frequency, ensuring reliable absolute beam polarimetry with the required 1% precision at the EIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Enhancing X-ray Sensitivity via the Antenna Effect in Quantum Shells with Multiexciton Emission

Quantum shells (QSs) with efficient multiexciton emission can generate multiple excitons per particle under high-energy excitation, thereby improving exciton utilization under intense X-ray exposure and offering strong potential for X-ray-based scintillation applications. However, these QSs are typically composed of low-atomic-number (Z) elements, which substantially limits their X-ray absorption efficiency and leads to poor X-ray sensitivity. Here, we overcome this fundamental limitation by introducing a high-Z antenna-sensitization strategy that couples QSs to heavy-element molecular absorbers, which act as X-ray harvesting centers and funnel energy into the QSs via efficient interfacial transfer. By combining enhanced X-ray absorption with efficient interfacial energy transfer and improved exciton utilization, we achieve more than an order-of-magnitude increase in multiexciton-driven QS radioluminescence (RL) relative to pristine shells. Additionally, a high X-ray imaging resolution of 25.2 lp mm –1 was achieved, exceeding the performance of most previously reported X-ray imaging scintillators. These findings offer a promising design strategy for advancing QS-based materials toward high-performance X-ray imaging applications.

antenna effect↗
DOE OSTI2025

Heavy boron doping effects on biaxially tensile strained germanium (>1.5%) investigated via structural characterization, effective lifetime assessment and atomistic modeling

Highly tensile strained germanium (ε-Ge) represents an essential material system for emerging electronic and photonics applications. Moreover, adjusting the doping levels to moderate or high concentrations can effectively tailor the properties of ε-Ge for specific applications. This article combines experimental characterization with a theoretical framework to examine the effects of heavy elemental boron (B) doping on pseudomorphic sub-50 nm ε-Ge. High resolution X-ray diffractometry is used to validate tensile strain levels of 1.53% and 1.68% in Ge epilayers, surpassing the indirect-to-direct band gap crossover point at ∼1.5% biaxial tensile strain. Cross-sectional transmission electron microscopy revealed visual evidence of stacking faults and surface roughening in 1.68% ε-Ge, although a coherent and abrupt Ge/III–V heterointerface is observed, devoid of interfacial misfit dislocations. Effective lifetime measurements demonstrated approximately twofold enhancement in 1.53% B-doped ε-Ge (N B ∼7 × 10 19 cm −3 ) compared to its unstrained B-doped counterpart, while no such improvement was observed in 1.68% B-doped ε-Ge. This lack of enhancement is attributed to the presence of stacking faults and surface roughness within the ε-Ge epilayer. Through density functional theory calculations, we independently demonstrate that substitutional B atoms induce local deformation of Ge–Ge bonds in both unstrained Ge and ε-Ge epilayers, resulting in an additive tensile strain. This phenomenon could potentially lead to dynamic reduction and overcoming of the critical layer thickness for the system, facilitating the nucleation and subsequent glide of 90° leading Shockley partial dislocations, thereby generating stacking faults. In essence, these findings establish an upper limit on the B-doping concentration that can be achieved in highly ε-Ge epilayers, and collectively, offer valuable insights into the significance of heavy doping in Ge-based heterostructures. As such, this study delineates a fundamental constraint for integrating heavily doped ε-Ge in high-performance optoelectronic systems, necessitating precise strain-doping co-optimization to avoid performance degradation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Interplay of Kondo physics with incommensurate charge density waves in CeTe 3

CeTe 3 is a 2-dimensional (2D) Van der Waals (VdW) material with incommensurate charge density waves (CDW), extremely high transition temperature (T CDW ), and a large momentum-dependent CDW gap that leaves a significant portion of the Fermi surface intact. It is also considered to be a weak Kondo system, a property unexpected for a material with incommensurate CDW, where each atomic site is slightly different. Here, we study the properties of the CDW state in several RTe3 (R is rare earth) materials and examine the hybridization of itinerant states with the localized Ce 4f multiplet in CeTe 3 by using angle resolved photoemission spectroscopy. We find that the renormalization of the itinerant states originating from the hybridization with the deeper localized 4f states at −260 meV is k−dependent and extends to the Fermi level. As these localized states are far from the Fermi level, the observed hybridization affects the effective masses only marginally and does not lead to heavy fermions. However, since the same renormalizing mechanism normally leads to the heavy fermion physics when the localized 4f states are near the Fermi level, our observation of its strong k−dependence suggests that this could be the reason for discrepancy between the heavy masses in specific heat and light ones in Shubnikov de Haas oscillations, often observed in heavy fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Imaging nuclear shape through anisotropic and radial flow in high-energy heavy-ion collisions

Most atomic nuclei exhibit ellipsoidal shapes characterized by quadrupole deformation β 2 and triaxiality γ, and sometimes even a pear-like octupole deformation β 3 . The STAR experiment introduced a new ‘imaging-by-smashing’ technique to image the nuclear global shape by colliding nuclei at ultra-relativistic speeds and analyzing outgoing debris. Features of nuclear shape manifest in collective observables like anisotropic flow vn and radial flow via mean transverse momentum [p T ]. We present new measurements of the variances of v n (n = 2, 3, and 4) and [p T ], and the covariance of $v$$^{2}_{n}$ with [p T ], in collisions of highly deformed 238 U and nearly spherical 197 Au. Ratios of these observables between the two systems effectively suppress common final-state effects, isolating the strong impact of uranium’s deformation. By comparing results with state-of-the-art hydrodynamic model calculations, we extract β 2U and γ U values consistent with those deduced from low-energy nuclear structure measurements. Measurements of v 3 and its correlation with [p T ] also provide the first experimental suggestion of a possible octupole deformation for 238 U. These findings provide significant support for using high-energy collisions to explore nuclear shapes on femtosecond timescales, with implications for both nuclear structure and quark-gluon plasma studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Isotopic mass effects of tritium-fueled high-performance TFTR supershots

An increase in total stored energy correlated with the addition of tritium fuel was observed in supershots during the TFTR DT campaign. This supershot regime had strikingly high, centrally peaked ion and electron temperatures, and the largest neutron emission rates observed in TFTR. This paper presents a study of the causes of this increase in stored energy in supershots. Twenty-six supershots have been recently reanalyzed with the TRANSP plasma analysis code. Early TRANSP simulations did not accurately match the measured magnitude and time evolutions of the neutron emission rates. This mismatch is attributed to neglecting apparent increases of trace amounts of heavy impurities during neutral beam injection. The new TRANSP runs were tuned to accommodate this and match the measured global neutron emission rates. These new runs also had improved fidelity in predicting the time histories and radial dependencies of measured DT neutron emission rates. That in turn adds confidence in the simulated thermal deuterium and tritium density profiles that are needed for calculating the average hydrogenic atomic mass profiles. Six subsets of these supershots had well matched toroidal field B tor , plasma current I p , flux geometry, and total injected neutral beam power. The mix of D and T beam ions was varied for different discharges. The magnitude of the increase of the thermal ion energy W i with added tritium was relatively small, and the total W tot increase is dominated by the increase in fast beam ions with T. Analyses at times before the occurrences of deleterious MHD instabilities yielded scaling of W tot with the volume-average isotopic mass consistent with previous publications. The relative fraction of fast energy ions is expected to be small in practical tokamak reactors. Thus the increase in stored energy W tot observed in TFTR supershots does not appear likely to be significantly helpful for producing useful fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Testing strong-field QED with the avalanche precursor

A two-beam high-power laser facility is essential for the study of one of the most captivating phenomena predicted by strong-field quantum electrodynamics (QED) and yet unobserved experimentally: the avalanche-type cascade. In such a cascade, the energy of intense laser light can be efficiently transformed into high-energy radiation and electron–positron pairs. The future 50-petawatt-scale laser facility NSF OPAL will provide unique opportunities for studying such strong-field QED effects, as it is designed to deliver two ultra-intense, tightly focused laser pulses onto the interaction point. In this work, we investigate the potential of such a facility for studying elementary particle and plasma dynamics deeply in the quantum radiation-dominated (RD) regime, and the generation of QED avalanches. With three-dimensional particle-in-cell simulations, we demonstrate that QED avalanche precursors can be reliably triggered under realistic laser parameters and layout (namely, focusing f/2, tilted optical axes, and non-ideal co-pointing) with the anticipated capabilities of NSF OPAL. We demonstrate that seed electrons can be efficiently injected into the laser focus by using targets of three types: a gas of heavy atoms, an overcritical plasma, and a thin foil. A strong positron and high-energy photon signal is generated in all cases. The cascade properties can be identified from the final particle distributions, which have a clear directional pattern. At increasing laser field intensity, such distributions provide signatures of the transition, first, to the RD interaction regime, and then to a QED avalanche. Our findings can also be used for designing related future experiments.

Lasers↗
DOE OSTI2026

Gaunt and Breit two-electron contributions to mean-field transformations and fine structure splitting

Materials utilized by novel energy systems are often studied using weakly correlated mean-field theories. However, if these systems incorporate heavy elements, relativistic effects must be included. Therefore, a Kramers unrestricted coupled cluster with singles and doubles excitation formalism within a molecular mean-field exact two-component framework (X2C mmf ) using a four-component Dirac–Hartree–Fock (DHF) reference state is presented. The exact X2C mmf transformed normal-order Hamiltonian incorporates all one-electron and two-electron (2e) contributions from the Coulomb, Gaunt, and Breit operators and is used with the equation of motion method to calculate the excitation energies of the alkali group of elements. Using this framework, the effects of 2e Gaunt and Breit integrals are studied. Results demonstrate growing contributions from these integrals to the generated X2C mmf mean-fields and electronic fine structure calculations with increasing atomic number. Overall, this paper outlines the method, its effect within the X2C mmf approach, and lays the foundation for future theoretical development of relativistic calculations within this framework.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Heavy Element Spectroscopy in the Gas Phase

Actinides are inherently unstable and undergo nuclear decay processes with a concurrent release of energy. Consequently, they are used for nuclear power generation, nuclear weapons, and nuclear medicine. However, the radioactive decay processes also pose significant technological problems for the safe treatment and storage of spent nuclear materials. Cost-effective extraction of the actinides is the key first step in the remediation of nuclear waste, but the appropriate chemical means have yet to be determined. Our present understanding of the chemistry of actinides is limited, with the role of the 5f electrons posing a set of particularly challenging questions. The work reported here is focused on the use of electronic spectroscopy to probe the bonding of small molecules in the gas phase that contains thorium or uranium. Analyses of these data, carried out within the framework of ligand field theory, reveal clear evidence that the 5f electrons are spectators that retain their atomic metal ion character.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Direct identification of Ac and No molecules with an atom-at-a-time technique

The periodic table provides an intuitive framework for understanding chemical properties. However, its traditional patterns may break down for the heaviest elements occupying the bottom of the chart. Here, the large nuclei of actinides (Z > 88) and superheavy elements (Z ≥ 104) give rise to relativistic effects that are expected to substantially alter their chemical behaviours, potentially indicating that we have reached the end of a predictive periodic table. Relativistic effects have already been cited for the unusual chemistry of the actinides compared with those of their lanthanide counterparts. Unfortunately, it is difficult to understand the full impact of relativistic effects, as research on the later actinides and superheavy elements is scarce. Beyond fermium (Z = 100), elements need to be produced and studied one atom at a time, using accelerated ion beams and state-of-the-art experimental approaches. So far, no experiments have been capable of directly identifying produced molecular species. Here ions of actinium (Ac, Z = 89) and nobelium (No, Z = 102) were synthesized through nuclear reactions at the 88-Inch Cyclotron facility at Lawrence Berkeley National Laboratory and then exposed to trace amounts of H 2 O and N 2 . The produced molecular species were directly identified by measuring their mass-to-charge ratios using FIONA (For the Identification Of Nuclide A). These results mark the first, to our knowledge, direct identification of heavy-element molecular species using an atom-at-a-time technique and highlight the importance of such identifications in future superheavy-element chemistry experiments to deepen understanding of their chemical properties.

Pore, Jennifer L. [Lawrence Berkeley National Labo↗
DOE OSTI2026

Production of muonic kaon atoms at high-energy colliders

We develop a framework for the formation of exotic muonic kaon atoms ($K\mu$) in semileptonic $D^{0}$ decays, using the effective weak Hamiltonian, a helicity-based treatment of the leptonic current, and a nonrelativistic bound-state projection. The resulting branching ratio, $\mathrm{BR}(D^{0}\!\to(K\mu )\nu_{\mu})=2.29\times10^{-10}$, is implemented in a ROOT-based code to estimate yields at RHIC, LHC, and STCF. We show quantitatively that $K\mu$ atoms—also produced through coalescence in the quark--gluon plasma (QGP)—provide a sensitive probe of low-momentum primordial muons and early-time electromagnetic radiation, offering complementary constraints in an otherwise unexplored phase space for thermal dilepton and photon emission. Newly estimated dissociation cross sections in detector material indicate that secondary‑vertex reconstruction should be experimentally feasible, allowing clean experimental identification of the atoms. Projected yields from QGP coalescence in LHC and RHIC heavy-ion collisions, and from $D^{0}$ decays in LHC high-luminosity $p+p$ collisions indicate that the first observation of $K\mu$ atoms is within reach. Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Article funded by SCOAP3 and published under licence by Chinese Physical Society and the Institute of High Energy Physics of the Chinese Academy of Science and the Institute of Modern Physics of the Chinese Academy of Sciences and IOP Publishing Ltd.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Theory of Novel Superconductors (Final Technical Report)

This Final Technical Report gives the results of a series of problems related to the origin of superconductivity, the quantum mechanical state of matter where electrical resistance vanishes, in several classes of new materials where the conventional mechanism that binds electrons into pairs based on the electron-phonon interaction apparently fails. In several families of quantum materials including cuprates, iron-based superconductors, and heavy fermion materials, it is believed that the repulsive Coulomb interaction between electrons can create effective attractive interactions, generally in higher pair momentum channels. These "unconventional" superconductors include materials with the highest critical temperatures at ambient pressure known, so it is imperative to understand how superconductivity arises to guide the search for materials that superconduct at or near room temperature, which would have enormous technological impact. A second objective has been to construct a theory that can quantitatively explain the properties of existing materials, based on information from first-principles electronic structure calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Theory Guided Fine‐Tune of Strain Effects in Pt Ternary Alloy via Rare Earth Templating: Achieving High Performance PEMFCs Catalysts

The sluggish kinetics and insufficient durability of platinum-based catalysts remain crucial barriers limiting proton-exchange-membrane fuel cells (PEMFCs) deployment. Here, we report a theory-guided synthesis combined with rare-earth templating to realize a previously inaccessible Pt 5 Co-like phase with tailored atomic-scale strain. Guided by density functional theory (DFT) calculations, we identified that a Pt 5 Co-like sublayer can induce a unique mild compressive strain (−1.24%) to the Pt(111) shell and an optimal *OH binding energy shift (ΔE ≈ 0.11 eV). This shift positions the alloy catalyst near the apex of the oxygen reduction reaction activity volcano. This prediction guided the synthesis of ternary alloy Pt 5 (Ce)Co@Pt multilayer nanoparticles, featuring a Ce-stabilized core, a Pt 5 Co-like sublayer, and a Pt-rich shell. This catalyst demonstrates both exceptionally high activity and durability, achieving a mass activity of 2.6 A∙mg Pt −1 in rotating disk electrode testing. In fuel cell membrane electrode assembly tests, Pt 5 (Ce)Co@Pt achieves a current density of 1.9 A∙cm −2 at 0.7 V under heavy-duty vehicle conditions. Remarkably, it maintains 1.2 A∙cm −2 after 1 80 000 AST cycles, doubling the U.S. DOE 2025 target. This work demonstrates a rational design strategy that DFT-guided strain engineering integrates with rare-earth templating to advance Pt-based catalysts for fuel cell applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Tabletop soft x-ray absorption spectroscopy for molecular fingerprinting

For applications related to nuclear security, safeguards, and nonproliferation, it is often critical to know the molecular compositions of lanthanide- and actinide-containing samples. Spectroscopy is a widely used tool that looks at the interaction between light and matter: Different species absorb or emit light at unique wavelengths which act as signatures. However, there is a limited number of tools that can achieve high-sensitivity, accurate measurements of lanthanide and actinide molecular compositions. Candidate methods include mass spectrometry, which usually destroys at least part of the sample and requires complicated stoichiometry to guess the original sample’s molecular compositions; optical spectroscopies, which have great atomic but limited molecular sensitivities or other drawbacks which make sensing molecules difficult like limited light sources or strong absorption in the atmosphere; and nuclear spectroscopies (gamma, neutron) which also have limited sources and long (>minute) collection times. As such, the purpose of our research is to develop a new tool to better distinguish between subtle differences in molecules containing lanthanides and actinides. Soft x-ray spectroscopy is sensitive to molecular form and is minimally intrusive/nondestructive to the sample. However, soft x-ray light with sufficient brightness for spectroscopy is typically limited to user-facilities like synchrotrons or free electron lasers, where beamtimes are competitive, and work with radiological materials may be difficult or entirely prohibited. To overcome this issue, our Team has developed a custom tabletop laser-driven, soft x-ray light source which employs high harmonic generation (HHG). Soft x-ray spectroscopy can distinguish between subtly different molecules, in the spectral range which we need to study these heavy elements. A tabletop system provides an effective and affordable tool to find both the elemental and chemical specificity of lanthanide and samples. Creating a light source in the soft x-ray spectrum is difficult because these wavelengths in the range 5-20 nm (20-350 eV photon energies) only penetrate several 100s of nm in most solid materials and only reflect well in shallow, grazing incident angles. The results are applicable to nuclear forensics, because molecular fingerprinting of lanthanide and actinide samples can be used to back out the origin and processing method of nuclear materials (Skrodzki, et al.).

36 MATERIALS SCIENCE↗