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At least 181 records · Page 10

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DOE OSTI2024

Stabilizing lithium superoxide formation in lithium-air batteries by Janus chalcogenide catalysts

Solid lithium peroxide (Li 2 O 2 ) is the major discharge product in Li-air batteries. However, the electronically insulating nature of Li 2 O 2 tends to affect the battery’s performance such as the polarization gap and cyclability. On the other hand, lithium superoxide (LiO 2 ), generated through a one-electron transfer process, offers greater electronic conductivity, lower charge transfer resistance, and thus reduced charge potential. Nevertheless, LiO 2 long-term stabilization as a final product remains a significant challenge. Here, in this study, we present the molybdenum (Mo)-based Janus chalcogenide family featuring asymmetric structures as a new generation of cathode catalysts for Li-air batteries. These catalysts demonstrate remarkable efficacy in stabilizing LiO 2 discharge products, even under high current densities of 5000 mA/g (corresponding to 0.5 mA/cm 2 ). Our density functional calculations provide an understanding of why the asymmetric Mo-Janus chalcogenides result in LiO 2 formation whereas the symmetric Mo-dichalcogenides produce Li 2 O 2 as the discharge product. These results pave the way to explore a new generation of advanced catalysts for superoxide-based Li-air batteries.

Chalcogenide↗

DOE OSTI2024

Multi-principal element alloys for fast reactor cladding applications

Given the extensive list of multi-principal element alloys (MPEAs) within literature and the overwhelming number of alloys that can be made from only a handful of elements, this article proposes a methodology for prioritizing alloys for use as cladding within advanced reactors. This paper applies neutronic, mechanical, and chemical assessments to a collection of MPEAs available within literature for use as advanced reactor cladding. The results are compared to a reference design of HT9, a ferritic/martensitic steel, for employed in sodium-cooled fast reactor. Mechanical assessments determined pressure limits for a thin-walled tube pressure boundary, thus relating the material's mechanical properties to a minimum acceptable wall thickness. Neutronic analyses reveal a maximum allowable wall thickness that a given material must meet to provide a level of neutronic economy that is equivalent to than that of HT9. Lastly, each alloying element is compared to typical fission products found in a fast reactor fuels to mitigate deleterious phenomena such as fuel-cladding chemical interactions (FCCI). These analyses indicate that Mo-Nb-Ti-V-based alloys are likely to be advantageous and that the inclusion of elements with a high neutronic penalty (e.g., Hf) could be considered with minimal consequences.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Conceptual design study of neutron detectors for safeguards measurement of an irradiated pebble

Nuclear material control and accounting (MC&A) of pebble-bed reactors (PBRs) is challenging because a PBR utilizes hundreds of thousands of identical, unmarked pebbles that are continuously recirculated through the core. To develop tools that enable the implementation of international safeguards, especially in the context of MC&A of spent pebbles, we designed and simulated three neutron detection concepts to determine fissile content in individual pebbles: a differential die-away (DDA) detector, a californium interrogation prompt neutron (CIPN) detector, and a passive neutron albedo reactivity (PNAR) detector using Monte Carlo calculations. Burnup calculations were performed on the spent pebbles from the PBMR-400 classic PBR. The varying neutron and gamma source terms, and isotopic compositions in the spent pebbles calculated at various burnup levels were used in the neutron detector models. DDA was found to be sensitive to the number of passes a pebble has had through the core and to the fissile content contained in a spent pebble. Optimization in the DDA design further increased the neutron count rates and thus reduced counting uncertainty. Meanwhile, passive neutron counting using the same detector body could distinguish pebbles with different numbers of passes, but its response was dominated by neutron-emitting actinides and was not sensitive to fissile content. On the other hand, the PNAR technique was not viable for a single pebble but performed reasonably for a 27-pebble array, which suggested potential use for verification measurements of containers filled with 27 or more spent pebbles.

CIPN↗

DOE OSTI2024

Development of techniques for gantryless associated-particle imaging

To move fast-neutron radiography using the associated-particle imaging technique from the laboratory to the field, the development of new analysis techniques is required. In particular, the relative positions of the source and detectors need to be determined when they have been placed by hand, the normalization for a particular source–detector geometry needs to be determined without a measurement in the same geometry with no object present, and accurate image stitching is required when multiple detector positions are necessary to image an object. The present work describes methods that employ transmission neutron data to localize a fast-neutron imaging panel with respect to the neutron source, calculate a normalization for a given source–detector geometry, stitch images together, and describes the required system calibrations. The reported techniques enable in-field neutron radiography for cases in which the source–detector geometry is not well known a priori and where operational constraints preclude a normalization measurement.

Heath, Matthew↗

DOE OSTI2025

Sub-THz passive detector performance evaluation with RadiaBeam photoinjector

Wakefield accelerators, based on THz and mm-wave structures, promise to reach the highest energies in record small footprints. However, operation at such frequencies is associated with strong generation of dipole modes that can destroy the beams, which requires controlling the electron beam position at the micron scale. The existing conventional techniques for electron beam position monitoring are not applicable for sub-THz structures due to the space constraints. Here, on the other hand, if dipole modes amplitudes can be measured precisely at different planes, one can derive beam position relative to the central axis. For such a technique a reliable and cost-effective sensor capable of operating in high repletion rate regime is required. In this paper we review the experimental evaluation of a passive sensor candidate for such applications using RadiaBeam 4.5 MeV photoinjector.

Accelerator↗

DOE OSTI2024

Measurements of displacement cross sections of metals for 120-GeV proton beam irradiation

The number of displacements per atom (dpa) is widely used as an indicator of irradiation damage of materials in proton accelerator facilities. Experiments have been carried out to validate the dpa of metallic materials for protons with energies below 3 GeV. However, measurements of the displacement cross-sections for high-energy protons above 3 GeV have not been carried out and the calculations have not been validated. To validate the displacement cross section of metals in high-energy region, electrical resistivity changes in wires of aluminum, copper and tungsten at 8 K were measured using protons with energies of 120-GeV. The results show that the Norgett-Robinson-Torrens dpa model of the Particle and Heavy Ion Transport Calculation Code overestimates the experimental data. On the other hand, the calculated results using the athermal recombination corrected dpa model were in agreement with the measured displacement cross sections. In the proton energy region above 1 GeV, the displacement cross section is almost constant, which is due to the fact that the damage energy of the material under 1 GeV proton irradiation is almost the same as under 120 GeV proton irradiation. Damage recovery of defects accumulated in the sample was also measured using isochronal annealing: At 80 K, approximately 60 % and 80 % of the damage remains for copper and tungsten, respectively. These results are the same as those obtained from other experiments on proton and neutron irradiation.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Recrystallization, cracking, and erosion of dispersoid-strengthened tungsten materials during exposure to divertor plasmas

In this study, we investigated the effects of combined intense particle and heat flux exposure on advanced tungsten plasma-facing materials within the DIII-D fusion facility. Our test matrix included two types of dispersoid-strengthened tungsten (containing either 100 nm diameter TiO 2 or Ni particles), along with high-purity polycrystalline tungsten as a reference. This experiment relied on a sample geometry angled at 15° relative to the divertor surface, thereby allowing the surfaces to intercept steady-state perpendicular heat fluxes (q ⟂ ) ranging from 10.1 to 19.6 MW/m 2 . During each shot, the samples were exposed to 42 Hz edge-localized modes (ELMs), allowing us to test the material response to transient heating. We correlated the exposure conditions with extensive post-test surface composition analysis and microscopy to determine how the plasma modified each surface. The angled specimens closest to the strike point received the highest combined heat and particle flux and melted midway through the experiment. EBSD analysis revealed they were completely recrystallized throughout, with an average grain size >100 µm. On the other hand, the specimens that received a lower steady state heat flux survived with more superficial surface damage. Whereas the high-purity polycrystalline tungsten exhibited a higher surface roughness, the dispersoid-strengthened material exhibited more extensive shallow inter-granular cracking. In addition, the surface was depleted of dispersoids following plasma exposure, possibly because of evaporation and/or sputtering. The results described here provide insights into the performance of these materials in a fusion environment which can guide further optimization for use in long-pulse devices.

Kolasinski, Robert D. [Sandia National Laboratorie↗

DOE OSTI2024

Measurement of (anti)alpha production in central Pb–Pb collisions at $\sqrt{s_{NN}} = 5.02$ TeV

In this letter, measurements of (anti)alpha production in central (0–10%) Pb–Pb collisions at a center-of-mass energy per nucleon–nucleon pair of $\sqrt{s_{NN}} = 5.02$ TeV are presented, including the first measurement of an antialpha transverse-momentum spectrum. Owing to its large mass, the production of (anti)alpha is expected to be sensitive to different particle production models. The production yields and transverse-momentum spectra of nuclei are of particular interest because they provide a stringent test of these models. The averaged antialpha and alpha spectrum is compared to the spectra of lighter particles, by including it into a common blast-wave fit capturing the hydrodynamic-like flow of all particles. This fit is indicating that the (anti)alpha also participates in the collective expansion of the medium created in the collision. A blast-wave fit including only protons, (anti)alpha, and other light nuclei results in a similar flow velocity as the fit that includes all particles. A similar flow velocity, but a significantly larger kinetic freeze-out temperature is obtained when only protons and light nuclei are included in the fit. The coalescence parameter B 4 is well described by calculations from a statistical hadronization model but significantly underestimated by calculations assuming nucleus formation via coalescence of nucleons. Similarly, the (anti)alpha-to-proton ratio is well described by the statistical hadronization model. On the other hand, coalescence calculations including approaches with different implementations of the (anti)alpha substructure tend to underestimate the data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Finite-volume quantization condition from the N/D representation

We propose a new model-independent method for determining hadronic resonances from lattice QCD. The formalism is derived from the general principles of unitarity and analyticity, as encoded in the N/D representation of a partial-wave two-body amplitude. The associated quantization condition relates the finite-volume spectrum to the infinite-volume numerator $\mathscr{N}$, used to reconstruct the scattering amplitude from dispersive relations. Unlike the original Lüscher condition, this new formalism is valid for energies coinciding with the left-hand cuts from arbitrary one- and multiparticle exchanges.

Dawid, Sebastian M. [Univ. of Washington, Seattle,↗

DOE OSTI2025

Revisiting the connection of baryon number, lepton number, and operator dimension

The effects of heavy new particles beyond the Standard Model can be conveniently captured through higher-dimensional effective operators. As noted long ago by Weinberg, the amount of baryon and lepton number an operator can carry is intricately connected to its mass dimension. We derive an improved inequality for this connection and compare it to explicit operator constructions up to mass dimension 25. For the effective field theory of Standard Model plus right-handed neutrinos, our relationship is even an equality up to high mass dimension.

Baryon number violation↗

DOE OSTI2026

Measurement of kaon directed flow in Au+Au collisions in the high baryon density region

Rapidity-odd directed flow v 1 measurements are presented for $K^±$ and $K^0_S$ in Au + Au collisions for $\sqrt{s_{NN}}$ from 3.0 to 3.9 GeV with the STAR experiment. For comparison, v 1 of π ± , protons, and Λ from the same collisions are also discussed. The mid-rapidity v 1 slope dv 1 /dy| y=0 for protons and Λ is positive in these collisions. On the other hand, v 1 slope of kaons exhibits a strong dependence: negative at p T < 0.6 GeV/c and positive at higher p T . A similar p T dependence is also evident for the v 1 slope of charged pions. Compared to the spectator-removed calculations in Au+Au collisions at $\sqrt{s_{NN}}$ = 3.0–3.9 GeV, the JAM model demonstrates a pronounced shift of the v 1 slopes of mesons towards the negative direction. It suggests that the shadowing effect of the spectators plays an important role in the observed kaon anti-flow at low p T in the high baryon density region of non-central collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Pore Resolved Simulations of Joule Heating in Fibrous Media using an Embedded Boundary Method

Joule heating has been regarded as an energy-efficient and sustainable method for heating materials and gases at large scales. The modeling of local temperature effects at pore-resolved scales for such systems, however, has been difficult to achieve due to challenges in coupling thermo-chemical processes in complex porous media and in large representative volume elements (RVEs). To this end, we developed an electro-thermal model at the pore scale to study Joule heating effects in large heterogeneous systems with different microstructures. This was achieved using the level set method to implicitly delineate distinct regions within the domain, and an embedded boundary method to facilitate heat exchange across the fluid-solid interface. Moreover, we applied this method to investigate unsteady non-linear electro-thermal effects in non-woven fibrous graphite conductors for RVEs with characteristic lengths of 2 mm, with different fiber orientations, porosity (80% – 90%) and fiber diameters (10 – 20µm). The coupled equations were solved numerically and they produced peak temperatures greater than 2000 K resulting in heating rates as high as 80,000 K/s. Moreover, the results depended strongly on the microstructure of the fiber skeleton and current density. Geometries with large fibers (∼ 20µm) had the highest average and peak temperatures with the mean temperature increasing by 3.9 % while the peak temperature increased by 9.9 %. Anisotropic domains on the other hand had the lowest mean and peak temperatures with peak and mean temperatures of 2293 K and 1437.7K respectively representing a corresponding 12.1% and 5.1% drop in the temperatures. An increase in porosity from 80% to 90%, however, led to an increase in the peak temperature by 5.1%.

Joule heating↗

DOE OSTI2024

Surrogate-assisted optimization under uncertainty for design for remanufacturing considering material price volatility

Remanufacturing is a well-established end-of-life (EOL) strategy that promises significant savings in energy and carbon emissions. However, the current design practices are not remanufacturing-inclusive, i.e., the majority of products are designed for a single life cycle. As a result, potential products that can sustain multiple life cycles are deprived of additional benefits of being designed for remanufacturing, such as reduced material usage, lower cost, and improved environmental impact. Moreover, the uncertainty in design, material selection, and economics are not considered to produce remanufacturable designs. Accordingly, this research proposes a design for remanufacturing (DfRem) framework that accounts for design uncertainty and material price volatility. The framework systematically explores the design space, performs design optimization under uncertainty, followed by topology optimization to provide additional mass savings, and finally, a price volatility analysis for plausible design material choices. The candidate designs are evaluated based on their design mass, material price volatility, failure mode characteristics, carbon footprint, and embodied energy impacts. The proposed framework's utility is demonstrated via the use of an engine cylinder head case study subjected to thermo-mechanical loads along with fatigue and wear failure. Considering grey cast iron and aluminum alloy as the design material choices, it was found that the cast iron design reduced the initial design mass by 6% as opposed to a 5% decrease for aluminum. On the other hand, about 8% area of the cast iron design failed due to fatigue, compared to 3% for aluminum. Here, we further observed that although the aluminum design provided better mechanical performance than the cast iron design, this material was more expensive and volatile in price.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Evaluation of two inoculation routes of an adenovirus-mediated viral protein inhibitor in a Crimean-Congo hemorrhagic fever mouse model

Crimean-Congo hemorrhagic fever virus (CCHFV) is a tick-borne nairovirus with a wide geographic spread that can cause severe and lethal disease. No specific medical countermeasures are approved to combat this illness. The CCHFV L protein contains an ovarian tumor (OTU) domain with a cysteine protease thought to modulate cellular immune responses by removing ubiquitin and ISG15 post-translational modifications from host and viral proteins. Viral deubiquitinases like CCHFV OTU are attractive drug targets, as blocking their activity may enhance cellular immune responses to infection, and potentially inhibit viral replication itself. We previously demonstrated that the engineered ubiquitin variant CC4 is a potent inhibitor of CCHFV replication in vitro. A major challenge of the therapeutic use of small protein inhibitors such as CC4 is their requirement for intracellular delivery, e.g., by viral vectors. In this study, we examined the feasibility of in vivo CC4 delivery by a replication-deficient recombinant adenovirus (Ad-CC4) in a lethal CCHFV mouse model. Since the liver is a primary target of CCHFV infection, we aimed to optimize delivery to this organ by comparing intravenous (tail vein) and intraperitoneal injection of Ad-CC4. While tail vein injection is a traditional route for adenovirus delivery, in our hands intraperitoneal injection resulted in higher and more widespread levels of adenovirus genome in tissues, including, as intended, the liver. However, despite promising in vitro results, neither route of in vivo CC4 treatment resulted in protection from a lethal CCHFV infection.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Mid-century climate change impacts on tornado-producing tropical cyclones

Tornadoes are a co-occurring extreme that can be produced by landfalling tropical cyclones (TCs). These tornadoes can exacerbate the loss of life and property damage caused by the TC from which they were spawned. It is uncertain how the severe weather environments of landfalling TCs may change in a future climate and how this could impact tornado activity from TCs. In this study, we investigated four TCs that made landfall in the U.S. and produced large tornado outbreaks. We performed four-member ensembles of convective-allowing (4-km resolution) regional climate model simulations representing each TC in the historical climate and a mid-twenty-first century future climate. To identify potentially tornadic storms, or TC-tornado (TCT) surrogates, we used thresholds for three-hourly maximum updraft helicity and radar reflectivity, as tornadoes are not resolved in the model. We found that the ensemble-mean number of TCT-surrogates increased substantially (56–299%) in the future, supported by increases in most-unstable convective available potential energy, surface-to-700-hPa bulk wind shear, and 0–1-km storm-relative helicity in the tornado-producing region of the TCs. On the other hand, future changes in most-unstable convective inhibition had minimal influence on future TCT-surrogates. This provides robust evidence that tornado activity from TCs may increase in the future. Furthermore, TCT-surrogate frequency between 00Z and 09Z increased for three of the four cases, suggesting enhanced tornado activity at night, when people are asleep and more likely to miss warnings. All of these factors indicate that TC-tornadoes may become more frequent and a greater hazard in the future, compounding impacts from future increases in TC winds and precipitation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Plasma potential shaping using end-electrodes in the Large Plasma Device

We perform experiments in the Large Plasma Device at the University of California, Los Angeles, studying how different end-electrode biasing schemes modify the radial potential profile in the machine. We impose biasing profiles of different polarities and gradient signs on a set of five concentric electrodes placed 12 m downstream from the plasma source. We find that imposing concave-down profiles (negative potential radial gradient) on the electrodes creates radial potential profiles halfway up the plasma column that are comparable to those imposed on the electrodes and a few electron temperature in height, regardless of the biasing polarity. On the other hand, imposing concave-up profiles (positive potential radial gradient) leads to non-monotonic radial potential profiles. This observation can be explained by the current drawn through the electrodes and the parallel plasma resistivity, highlighting their important role in controlling the rotation of plasma. Concave-down plasma potential profiles, obtained by drawing electrons on the axis, are predicted to drive azimuthal drift velocities that can approach significant fractions of the ion sound speed in the central region of the plasma column.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Bounce-averaged theory in arbitrary multi-well plasmas: solution domains and the graph structure of their connections

Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit. This procedure dramatically increases the characteristic time scale and reduces the dimensionality of the modelled system. The natural coordinates for such calculations are the constants of motion (COM) of the fast particle motion, which by definition do not change during an orbit. However, for sufficiently complicated fields – particularly in the presence of local maxima of the electric potential and magnetic field – the COM are not sufficient to specify the particle trajectory. In such cases, multiple domains in COM space must be used to solve the problem, with boundary conditions enforced between the domains to ensure continuity and particle conservation. Previously, these domains have been imposed by hand, or by recognising local maxima in the fields, limiting the flexibility of bounce-averaged simulations. Here, we present a general set of conditions for identifying consistent domains and the boundary condition connections between the domains, allowing the application of bounce-averaged theories in arbitrarily complicated and dynamically evolving electromagnetic field geometries. We also show how the connections between the domains can be represented by a directed graph, which can help to succinctly represent the trajectory bifurcation structure.

fusion plasma↗

DOE OSTI2026

Interpretation of high-harmonic fast-wave propagation in the scrape-off layer of NSTX-U as a geometrically bounded-waveguide mode

This paper revisits the onset of high-harmonic fast-wave (HHFW) propagation in the scrape-off layer (SOL) plasma of the NSTX/NSTX-U spherical tokamak, motivated by past HHFW heating and current drive experiments and modelling. Previously, the fast-wave propagation in the SOL was correlated with the opening (suppression) of the fast-wave right-hand cutoff layer in front of the antenna. In this work, the SOL propagation is interpreted as a geometric waveguide mode guided by the SOL geometry, whose radial width can be comparable to the wave’s perpendicular wavelength in the HHFW regime. A two-dimensional circular model is first employed using full-wave solvers to characterise the poloidal eigenmode structures and to clarify their relationship to annulus resonance. By progressively adding a tokamak-like magnetic-field configuration, starting from a uniform axial field, the effects of magnetic-field gradients and pitch on the SOL waveguide mode are characterised. The poloidal mode numbers supported by the SOL plasma agree well with analytic estimates, indicating that an anisotropic plasma in a bounded geometry selectively supports and amplifies the resonant poloidal mode number. Additionally, two-dimensional axisymmetric NSTX-U simulations demonstrate that the SOL eigenmode features identified in the circular model persist in the experimentally relevant configurations. A control approach based on lengthening the wave perpendicular wavelength relative to the SOL width, including a higher magnetic (B)-field operation, is discussed. The analysis here shows the key role of a bounded geometry in interpreting HHFW eigenmode coupling and propagation in the NSTX-U SOL plasma.

plasma heating↗