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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Photoelectrochemical Imaging of Charge Separation between MoS 2 Triangles and Insulating SiO 2 Support

The role of the insulating support in photocatalysis is poorly understood. Using high-resolution photo-scanning electrochemical microscopy (photo-SECM), we observed significant spatial charge separation in few-layer-thick molybdenum disulfide (MoS 2 ) triangles attached to a SiO 2 substrate. Spatially resolved surface photovoltage (SPV) measurements revealed that photogenerated holes migrate from MoS 2 to the SiO 2 surface and travel laterally over distances exceeding 2 μm, driven by the builtin electric field of ~1.7 kV/cm. In thicker and less uniform flakes, the charge separation is dominated by internal driving forces within MoS 2 , without significant contribution from SiO 2 . These findings underscore the importance of insulator–semiconductor interactions for effective charge separation, suggesting a new strategy for optimizing photocatalytic systems.

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

Molecular-Level Insights into the NMR Relaxivity of Gadobutrol Using Quantum and Classical Molecular Simulations

MRI is an indispensable diagnostic tool in modern medicine; however, understanding the molecular-level processes governing NMR relaxation of water in the presence of MRI contrast agents remains a challenge, hindering the molecular-guided development of more effective contrast agents. By using quantum-based polarizable force fields, the first-of-its-kind molecular dynamics (MD) simulations of Gadobutrol are reported where the 1 H NMR longitudinal relaxivity r 1 of the aqueous phase is determined without any adjustable parameters. The MD simulations of r 1 dispersion (i.e., frequency dependence) show good agreement with measurements at frequencies of interest in clinical MRI. Importantly, the simulations reveal key insights into the molecular level processes leading to r 1 dispersion by decomposing the NMR dipole–dipole autocorrelation function G(t) into a discrete set of molecular modes, analogous to the eigenmodes of a quantum harmonic oscillator. The molecular modes reveal important aspects of the underlying mechanisms governing r 1 , such as its multiexponential nature and the importance of the second eigenmodal decay. By simply analyzing the MD trajectories on a parameter-free approach, the Gadobutrol simulations show that the outer-shell water contributes ∼50% of the total relaxivity r 1 compared to the inner-shell water, in contrast to simulations of (nonchelated) gadolinium-aqua where the outer shell contributes only ∼15% of r 1 . The deviation between simulations and measurements of r 1 below clinical MRI frequencies is used to determine the low-frequency electron-spin relaxation time for Gadobutrol, in good agreement with independent studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Identification of Carbonyl Species on Palladium Supported on Ceria in Complex Microenvironments

Herein, we present a systematic comparison between Pd carbonyl (Pd-CO) species, specifically over Pd/CeO 2 based catalysts, observed during isothermal adsorption and in several prototypical catalytic reactions to identify and understand CO adsorption on palladium-ceria based catalysts. Pd-CO is observed via DRIFTS to probe the gas-solid conditions, while ATR-IR is used to probe the affinity of Pd-CO under more complex solvated gas-solid-liquid conditions to discern the influence of the microenvironments for carbonyl adsorption. Here, we explore the presence of Pd-CO under several reactive environments, including CO adsorption, CO 2 + H 2 , CO + H 2 , CH 4 + CO 2 and CO under gas-solid-liquid media, highlighting reactions with notable Pd-CO formation. The differences between palladium carbonyls and carbonate species show that carbonyl species are much more affected via a shifting of the peak position than carbonates, which remain static irrespective of the immediate chemical environment. By following the rate of CO accumulation via K-M mode DRIFTS, we observe migration from linear, 2095 cm -1 , to bridge site, 1978 cm -1 , as a function of time under a static CO atmosphere. With the use of DFT, we discerned changes in Pd-carbonyl stretches due to both coverage effects of CO under simulated reaction conditions and temperature effects. Regardless of whether CO is formed as an intermediate or a reactant, the competitive adsorption of *H and *CO affects the binding strength of *CO at all temperatures, with low temperature favoring atop binding and high temperature favoring the more stable FCC Pd-CO site.

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

Development of Biological and Electrochemical Technologies for the Clean Extraction of Copper and Critical Materials from Low Grade Ores

As we transition toward renewable energy resources and electrification, there will be an increasing demand for critical materials, including copper. While copper is currently mined in the US, processing capacity is not sufficient, and intermediate mining products are shipped to Asia for further processing. The goal of this research was to develop a transformative hydrometallurgical process for the production of copper from low-grade ores that would eliminate the need for smelting and would increase the domestic processing capacity in the US, The project initially focused on the electrochemical reduction of copper concentrate using vanadium, followed by the biological oxidation to produce a stream compatible with existing solvent extraction and electrowinning operations. We discovered an efficient electrochemical process that could produce copper salts from concentrate without the need for biological oxidation, and this technology has been licensed and spun-off into a start-up company. The microbes involved in the current state-of-the-art bioleaching processes were genetically modified to introduced a number of new traits, including increased sulfur oxidation, salt-tolerance, and binding of other critical metals such as cobalt, molybdenum, rhenium, and the rare earth elements. The project was extended to also explore the electrochemical oxidation of copper concentrate using cerium which would potentially eliminate production of hydrogen sulfide that occurs with the reductive leaching process. This technology was found to have slower kinetics, however could it still be developed as an alternative process for domestic copper production and has been found to be applicable to other critical minerals.

42 ENGINEERING↗
DOE OSTI2025

Coherent Magnon–Photon Coupling in the Magnetic Semiconductor CrSBr

Magnon-based hybrid quantum systems are promising candidates for quantum interconnects and quantum sensors, and they offer a rich platform for exploring nonlinear magnonics and cavity–photon interactions. Two-dimensional (2D) van der Waals magnets provide a compact, atomically flat geometry that can be easily integrated into existing quantum circuits, such as superconducting resonators and qubits. Among various 2D magnets, the magnetic semiconductor CrSBr is particularly unique due to its strong spin–exciton, spin–lattice, and magnon–exciton interactions. In this work, we demonstrate coherent coupling between antiferromagnetic (AFM) magnons in CrSBr and microwave photons in a niobium-(Nb)-based-on-chip resonator. We tuned the magnon–photon coupling strength by changing the number of CrSBr flakes integrated into the Nb microwave photon resonators. Furthermore, this work demonstrates the first step toward integrating layered van der Waals 2D magnets into superconducting microwave circuits, with full access for microwave and optical probing.

Electromagnetic radiation↗
DOE OSTI2026

Hierarchical Chiral Self-Assembly of Nanocylinders Composed of Sequence-Defined Mesogenic Dimers

Chiral ensembles can arise through supramolecular curvature that resolves geometric frustrations in the packing of bent, achiral molecular or colloidal building blocks. Here, we leverage orthogonal protection−deprotection click chemistry to create sequence-defined mesogenic heterodimers exhibiting emergent chirality. We compare the hierarchical self-assembly of the synthesized asymmetric, achiral heterodimers, which differ only in the position of a methyl substituent. Both dimers form chiral spherulites composed of nanocylinders. However, the detailed arrangement of nanocylinders depends on the position of the methyl substituent and the crystallization conditions. Despite the chemical similarity, in one dimer, two crystalline forms are optically active. They form conglomerates of dextrorotatory and levorotatory spherulites. The other dimer forms more highly anisotropic spherulites that mask circular birefringence arising from the misorientation of nanocylinders, while mapping of nanocylinder directors reveals a sense at the spherulite surface. We propose that differences in nanocylinder arrangements may arise from changes in nanocylinder curvature and dimensions dictated by the methyl substituent position, inducing chirality. These results demonstrate multiscale hierarchical assembly relevant to dense systems of tubular structures and highlight the role of sequence and molecular design in directing the bottom-up hierarchical self-assembly and chirality of mesogenic systems.

Alkyls↗
DOE OSTI2025

An electronic microemulsion phase emerging from a quantum crystal-to-liquid transition

Strongly interacting electronic systems often exhibit a complicated phase diagram that results from the competition between different quantum ground states. One feature of these phase diagrams is the emergence of microemulsion phases, where regions of different phases self-organize across multiple length scales. The experimental characterization of these microemulsions can pose considerable challenges, as the long-range Coulomb interaction microscopically mingles with the competing states. Here we observe the signatures of the microemulsion between an electronic Wigner crystal and an electron liquid in a MoSe 2 monolayer using cryogenic reflectance and magneto-optical spectroscopy. We find that the transition into this microemulsion state is marked by anomalies in exciton reflectance, spin susceptibility and umklapp scattering, establishing it as a distinct phase of electronic matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Materials laboratories of the future for alloys, amorphous, and composite materials

In alignment with the Materials Genome Initiative and as the product of a workshop sponsored by the US National Science Foundation, we define a vision for materials laboratories of the future in alloys, amorphous materials, and composite materials; chart a roadmap for realizing this vision; identify technical bottlenecks and barriers to access; and propose pathways to equitable and democratic access to integrated toolsets in a manner that addresses urgent societal needs, accelerates technological innovation, and enhances manufacturing competitiveness. Spanning three important materials classes, this article summarizes the areas of alignment and unifying themes, distinctive needs of different materials research communities, key science drivers that cannot be accomplished within the capabilities of current materials laboratories, and open questions that need further community input. Here, we provide a broader context for the workshop, synopsize the salient findings, outline a shared vision for democratizing access and accelerating materials discovery, highlight some case studies across the three different materials classes, and identify significant issues that need further discussion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-speed tunable generation of random number distributions using actuated perpendicular magnetic tunnel junctions

Perpendicular magnetic tunnel junctions (pMTJs) actuated by nanosecond pulses are emerging as promising devices for true random number generation (TRNG) due to their intrinsic stochastic behavior and high throughput. In this work, we demonstrate the tunability and quality of random number distributions generated by pMTJs operating at a frequency of 104 MHz. First, changing the pulse amplitude is used to systematically vary the probability bias. The variance of the resulting bitstreams closely matches the expected binomial distribution, demonstrating consistency with an underlying sequence of Bernoulli trials. Second, the quality of uniform distributions of 8-bit random numbers generated with a probability bias of 0.5 is considered. A reduced chi-square analysis of these data shows that only two XOR operations are sufficient to achieve this distribution with p-values greater than 0.05. Finally, we show that there is a correlation between long-term probability bias variations and pMTJ resistance. These findings suggest that variations in the characteristics of the pMTJ underlie the observed variation of probability bias. In conclusion, our results highlight the potential of stochastically actuated pMTJs for high-speed, tunable TRNG applications, showing the importance of the stability of pMTJ device characteristics in achieving reliable, long-term performance.

Magnetic tunnel junctions↗
DOE OSTI2024

Comparison of Approaches for CO 2 Sequestration as Solid Carbon Products

The growing global climate crisis linked to the rising atmospheric CO 2 levels calls for urgent and innovative solutions. Fixing CO 2 as valuable solid carbon products, such as carbon nanofibers or nanotubes (CNFs or CNTs), offers a promising way to potentially achieve net-negative CO 2 emissions. However, direct CO 2 -to-solid carbon faces significant thermodynamic and kinetic constraints, especially under mild reaction conditions. This mini-review compares three emerging approaches for CO 2 conversion into solid carbon: 1) using molten salt at high temperatures to produce CNFs or CNTs, 2) converting CO 2 to amorphous carbon with pyrophoric liquid metals at near room temperature, and 3) employing an electrocatalytic-thermocatalytic tandem process to produce CNFs at relatively mild temperatures. We examine the underlying principles, thermodynamic driving forces, and recent advances of each approach, and discuss the challenges and opportunities in catalyst development, reactor design, and energy management. We aim to highlight CO 2 fixation, facilitate net-negative CO 2 emissions, and stimulate more innovations for both environmental and economic benefits.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Effects of break geometry and orientation on helium-air mixing in simulated reactor cavities of high temperature gas reactors

Here, this study experimentally examined the spatial and temporal variations in air and helium concentrations and temperature fields within simulated reactor cavities of a High Temperature Gas Reactor (HTGR) following helium discharge into an initially air-filled reactor cavity system. Detailed temperature maps were generated using a combination of fiber optics temperature sensor and multiple thermocouple probes within the simulated reactor cavities. The research scenario involved a hypothetical small pipe break in the Reactor Pressure Vessel, resulting in the release of high-temperature helium into the surrounding cavity. A scaled multi-compartment experimental facility, modeled after the General Atomics Modular High Temperature Gas Reactor (GA-MHTGR) design, was constructed for helium and air mixing experiments. Oxygen sensors and thermocouple probes were installed in all five cavities to measure the concentrations of oxygen (or helium) and the temperature distributions of the gas mixture. The experimental findings highlighted the significant impact of the injected helium jet velocity on the gas mixing process and demonstrated how the direction of the helium jet influences the air-helium temperature profiles within the cavities.

Air-ingress↗
DOE OSTI2026

Radiation GRMHD Models of Accretion onto Stellar-mass Black Holes. II. Super-Eddington Accretion

We present a comprehensive analysis of super-Eddington black hole accretion simulations that solve the GRMHD equations coupled with angle-discretized radiation transport. The simulations span a range of accretion rates, two black hole spins, and two magnetic field topologies, and include resolution studies as well as comparisons with nonradiative models. Super-Eddington accretion flows consistently develop geometrically thick disks supported by radiation pressure, regardless of magnetic field configuration. Radiation generated in the inner disk drives substantial outflows, forming conical funnel regions that limit photon escape and result in very low radiation efficiency. The accretion flows are highly turbulent, with thermal energy transport dominated by radiation advection rather than diffusion. Angular momentum is primarily carried outward by Maxwell stress, with turbulent Reynolds stress playing a subdominant role. Both strong and weak jets are produced. Strong jets arise from sufficient net vertical magnetic flux and rapid black hole spin, and they can effectively evacuate the funnel, enabling radiation to escape through strong geometric beaming. In contrast, weak jets fail to clear the funnel, which becomes obscured by radiation-driven outflows and leads to distinct observational signatures. Spiral structures are observed in the plunging region, behaving like density waves. These super-Eddington models are applicable to a variety of astronomical systems, including ultraluminous X-ray sources, little red dots, and black hole transients.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Observation of Charmonium Sequential Suppression in Heavy-Ion Collisions at the Relativistic Heavy Ion Collider

We report measurements of charmonium sequential suppression in Ru+Ru and Zr+Zr collisions at $\sqrt{s_{NN}}$ =200 GeV with the STAR experiment at the Relativistic Heavy Ion Collider (RHIC). The inclusive yield ratio of 𝜓⁡(2⁢S) to J/𝜓 as a function of transverse momentum is reported, along with the centrality dependence of the double ratio, defined as the 𝜓⁡(2⁢S) to J/𝜓 ratio in heavy-ion collisions relative to that in 𝑝 +𝑝 collisions. In the 0–80% centrality class, the double ratio is found to be 0.41±0.10 (stat)±0.03 (syst)±0.02 (ref), lower than unity with a significance of 5.6 standard deviations. This provides experimental evidence that 𝜓⁡(2⁢S) is significantly more suppressed than J/𝜓 in heavy-ion collisions at RHIC. This sequential suppression pattern seems to increase from peripheral to central collisions, but with no significant dependence on the transverse momentum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Energy Independence of the Collins Asymmetry in 𝑝 ↑⁢ 𝑝 Collisions

The STAR experiment reports new, high-precision measurements of the transverse single-spin asymmetries for 𝜋 ± within jets, namely the Collins asymmetries, from transversely polarized 𝑝 ↑⁢ 𝑝 collisions at $\sqrt{s}$ = 510 GeV. The energy-scaled distribution of jet transverse momentum, 𝑥 T = 2⁢𝑝 T, jet /$\sqrt{s}$, shows a remarkable consistency for Collins asymmetries of 𝜋 ± in jets between $\sqrt{s}$ = 200 GeV and 510 GeV. This indicates that the Collins asymmetries are nearly energy independent, with, at most, a very weak scale dependence in 𝑝 ↑ ⁢𝑝 collisions. These results extend to high-momentum scales (𝑄 2 ≤ 3400 GeV 2 ) and enable unique tests of evolution and universality in the transverse-momentum-dependent formalism, thus providing important constraints for the Collins fragmentation functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Measurement of medium-induced acoplanarity in central Au-Au and 𝑝⁢𝑝 collisions at $\sqrt{s_{NN}}$ = 200 GeV using direct-photon + jet and 𝜋 0 + jet correlations

The STAR Collaboration reports measurements of acoplanarity using semi-inclusive distributions of charged-particle jets recoiling from direct photon and 𝜋 0 triggers, in central Au–Au and 𝑝⁢𝑝 collisions at $\sqrt{s_{NN}}$ = 200 GeV. Significant medium-induced acoplanarity broadening is observed for large but not small recoil jet resolution parameter, corresponding to recoil jet yield enhancement up to a factor of ≈ 20 for trigger-recoil azimuthal separation far from 𝜋. This phenomenology is indicative of the response of the quark-gluon plasma to excitation, but not the scattering of jets off of its quasiparticles. As a result, the measurements are not well described by current theoretical models which incorporate jet quenching.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Evidence of Spin-Interference Effects in Exclusive 𝐽/𝜓 → 𝑒 + ⁢𝑒 − Photoproduction in Ultraperipheral Heavy-Ion Collisions

Here, we report the first evidence of spin interference in exclusive 𝐽/𝜓 → 𝑒 + ⁢𝑒 − photoproduction in ultraperipheral heavy-ion collisions at STAR at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV. In Au + Au collisions, a negative cos⁡(2⁢𝜙) modulation is found for 𝑝 𝑇 < 120 MeV/𝑐 with a significance of 3.2⁢𝜎, while the isobar data (Ru + Ru, Zr + Zr) show a consistent negative modulation with a significance of 1.9⁢𝜎, opposite in sign to that in 𝜌 0 → 𝜋 + ⁢𝜋 − photoproduction. This establishes for the first time that the interference sign is controlled by the spin structure of the final-state daughters, resolving the ambiguity present in the all-boson 𝜌 0 channel. The compact 𝐽/𝜓 probes gluon distributions at perturbative scales, resulting in a weaker modulation and providing stringent constraints on color glass condensate calculations. These findings demonstrate that spin-dependent interference in heavy vector mesons provides a new, experimentally accessible handle on gluon structure beyond traditional cross-section measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Measurement of fifth- and sixth-order fluctuations of (net-)proton number in Au + Au collisions from phase II of the beam energy scan program at RHIC

We report high-statistics measurements of fifth- and sixth-order factorial cumulants and cumulant ratios of (net-)proton multiplicity distributions in Au+Au collisions at $\sqrt{s_{NN}}$ = 7.7–27GeV, using data from the STAR experiment collected during the Beam Energy Scan Phase II at RHIC. Protons and antiprotons are identified at midrapidity (|𝑦| < 0.5) with transverse momentum 0.4 < 𝑝 𝑇 < 2.0GeV/𝑐. The proton factorial cumulants 𝜅 4 , 𝜅 5 , and 𝜅 6 increase with order but exhibit no sign alternation within current uncertainties, offering no evidence for a two-component structure in the proton multiplicity distribution, as might be expected near a first-order phase transition. The cumulant ratios 𝐶 5 /𝐶 1 and 𝐶 6 /𝐶 2 fluctuate around zero in collisions at 0–40% centrality. The results are consistent with both the negative predictions from lattice QCD and the positive trends obtained from the ultrarelativistic quantum molecular dynamics (UrQMD) model. At $\sqrt{s_{NN}}$ ≳ 27GeV, the 𝐶 4 /𝐶 2 and 𝐶 5 /𝐶 1 results are compatible with predictions from lattice QCD, functional renormalization group (FRG), and hadron resonance gas (HRG) models, while UrQMD describes the data better at lower energies. Here, these measurements place constraints on baryon number fluctuations and offer valuable insights into the QCD phase structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Lead Adsorption and Desorption at the Barite (001) Surface in the Presence of EDTA

Scaling minerals, such as barite, can cause detrimental consequences for oil/gas pipelines and water systems, but their formation can be inhibited by organic chelators such as ethylenediaminetetraacetic acid (EDTA). Here, we resolve how EDTA affects sorption and desorption of Pb at the barite (001) surface using a combination of X-ray scattering and microscopy measurements. In the presence of EDTA, Pb incorporated in the topmost part of the barite surface and adsorbed as inner-sphere complexes on the surface. In barite saturated solutions containing [Pb] ≥ 100 μM, overgrowth films grew along step edges. These films were exclusively monolayer thick, indicating that their growth was a self-limiting process. Approximately half of the Pb was removed after 14.5 h reaction with a Pb-free EDTA solution where most of the desorption occurred to adsorbed Pb rather than incorporated Pb. Dissolution proceeded primarily via step retreat and etch pit formation in EDTA, but in deionized water, the secondary phase was quickly removed within 3 min. Together these results suggest EDTA binds to both the surface and Pb in solution, which limits Pb sorption. However, EDTA binding to the surface also inhibits removal of the secondary phase that formed at higher Pb concentrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗