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At least 397 records · Page 22

Bound on hot-spot mix in high-velocity, high-adiabat direct-drive cryogenic implosions based on comparison of absolute x-ray and neutron yields

In laser-driven implosions for laboratory fusion, the comparison of hot-spot x-ray yield to neutron production can serve to infer hot-spot mix. For high-performance direct-drive implosions, this ratio depends sensitively on the degree of equilibration between the ion and electron fluids. A scaling for x-ray yield as a function of neutron yield and characteristic ion and electron hot-spot temperatures is developed on the basis of simulations with varying degrees of equilibration. We apply this model to hot-spot x-ray measurements of direct-drive cryogenic implosions typical of the direct-drive designs with best ignition metrics. Furthermore, the comparison of the measured x-ray and neutron yields indicates that hot-spot mix, if present, is below a sensitivity estimated as ~ 2% by-atom mix of ablator plastic into the hot spot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Phase Measurements of a 140-GHz Confocal Gyro-Amplifier

The phase stability of a 140-GHz, 1-kW pulsed gyro-amplifier system and the phase dependence on the cathode voltage were experimentally measured. To optimize the measurement precision, the amplifier was operated at 47 kV and 1 A, where the output power was ~ 30 W. The phase was determined to be stable both pulse-to-pulse and during each pulse, so far as the cathode voltage and electron beam current are constant. The phase variation with voltage was measured and found to be 130 ± 30° /kV, in excellent agreement with simulations. The electron gun used in this device is non-adiabatic, resulting in a steep slope of the beam pitch factor with respect to cathode voltage. This was discovered to be the dominant factor in the phase dependence on voltage. The use of an adiabatic electron gun is predicted to yield a significantly smaller phase sensitivity to voltage, and thus a more phase-stable performance. To our knowledge, these are the first phase measurements reported for a gyro-amplifier operating at a frequency above W-band.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NuGraph2 with context-aware inputs: physics-inspired improvements in semantic segmentation

Graph neural networks have recently shown strong promise for event reconstruction tasks in Liquid Argon Time Projection Chambers, yet their performance remains limited for underrepresented classes of particles, such as Michel electrons. In this work, we investigate physics-informed strategies to improve semantic segmentation within the NuGraph2 architecture. We explore three complementary approaches: (i) enriching the input representation with context-aware features derived from detector geometry and track continuity, (ii) introducing auxiliary decoders to capture class-level correlations, and (iii) incorporating energy-based regularization terms motivated by Michel electron energy distributions. Experiments on MicroBooNE public datasets show that physics-inspired feature augmentation yields the largest gains, particularly boosting Michel electron precision and recall by disentangling overlapping latent space regions. In contrast, auxiliary decoders and energy-regularization terms provided limited improvements, partly due to the hit-level nature of NuGraph2, which lacks explicit particle- or event-level representations. Our findings highlight that embedding physics context directly into node-level inputs is more effective than imposing task-specific auxiliary losses, and suggest that future hierarchical architectures such as NuGraph3, with explicit particle- and event-level reasoning, will provide a more natural setting for advanced decoders and physics-based regularization. The code for this work is publicly available on Github at https://github.com/vitorgrizzi/nugraph_phys/tree/main_phys.

Other Experiments↗

Emergent Ferromagnetism in CaRuO 3 /CaMnO 3 (111)-Oriented Superlattices

The boundary between CaRuO 3 and CaMnO 3 is an ideal test bed for emergent magnetic ground states stabilized through interfacial electron interactions. In this system, nominally antiferromagnetic and paramagnetic materials combine to yield interfacial ferromagnetism in CaMnO 3 due to electron leakage across the interface. In this work, we show that the crystal symmetry at the surface is a critical factor determining the nature of the interfacial interactions. Specifically, by growing CaRuO 3 /CaMnO 3 heterostructures along the (111) instead of the (001) crystallographic axis, we achieve a 3-fold enhancement of the magnetization and involve the CaRuO 3 layers in the ferromagnetism, which now spans both constituent materials. Importantly, the stabilization of a net magnetic moment in CaRuO 3 through strain effects has been long-sought but never consistently achieved, and our observations demonstrate the importance of interface engineering in the development of new functional heterostructures.

36 MATERIALS SCIENCE↗

Layered Semiconductor Cr 0.32 Ga 0.68 Te 2.33 with Concurrent Broken Inversion Symmetry and Ferromagnetism: A Bulk Ferrovalley Material Candidate

The valleytronic state found in group-VI transition-metal dichalcogenides such as MoS2 has attracted immense interest since its valley degree of freedom could be used as an information carrier. However, valleytronic applications require spontaneous valley polarization. Such an electronic state is predicted to be accessible in a new ferroic family of materials, i.e., ferrovalley materials, which features the coexistence of spontaneous spin and valley polarization. Although many atomic monolayer materials with hexagonal lattices have been predicted to be ferrovalley materials, no bulk ferrovalley material candidates have been reported or proposed. Here, in this work, we show that a new non-centrosymmetric van der Waals (vdW) semiconductor Cr 0.32 Ga 0.68 Te 2.33 , with intrinsic ferromagnetism, is a possible candidate for bulk ferrovalley material. This material exhibits several remarkable characteristics: (i) it forms a natural heterostructure between vdW gaps, a quasi-two-dimensional (2D) semiconducting Te layer with a honeycomb lattice stacked on the 2D ferromagnetic slab comprised of the (Cr, Ga)-Te layers, and (ii) the 2D Te honeycomb lattice yields a valley-like electronic structure near the Fermi level, which, in combination with inversion symmetry breaking, ferromagnetism, and strong spin-orbit coupling contributed by heavy Te element, creates a possible bulk spin-valley locked electronic state with valley polarization as suggested by our DFT calculations. Further, this material can also be easily exfoliated to 2D atomically thin layers. Therefore, this material offers a unique platform to explore the physics of valleytronic states with spontaneous spin and valley polarization in both bulk and 2D atomic crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydrogen production by photoelectrolytic decomposition of H2O using solar energy

Photoelectrochemical systems for the efficient decomposition of water are discussed. Semiconducting d band oxides which would yield the combination of stability, low electron affinity, and moderate band gap essential for an efficient photoanode are sought. The materials PdO and Fe-xRhxO3 appear most likely. Oxygen evolution yields may also be improved by mediation of high energy oxidizing agents, such as CO3(-). Examination of several p type semiconductors as photocathodes revealed remarkable stability for p-GaAs, and also indicated p-CdTe as a stable H2 photoelectrode. Several potentially economical schemes for photoelectrochemical decomposition of water were examined, including photoelectrochemical diodes and two stage, four photon processes.

Rauh, R. D.↗

The Hole-Count Test Revisited: Effects of Test Specimen Thickness

For historical reasons the hole count, an important performance test for the Analytical Electron Microscope (AEM), is somewhat arbitrary yielding different numbers for different investigators. This was not a problem a decade ago when AEM specimens were often bathed with large fluxes of stray electrons and hard x rays. At that time the presence or absence of a thick Pt second condenser (C2) aperture could be detected by a simple comparison of the x-ray spectrum taken 'somewhere in the hole' with a spectrum collected on a 'typical thickness' of Mo or Ag foil. A high hole count of about 10-20% indicated that the electron column needed modifications; whereas a hole count of 1-2% was accepted for most AEM work. The absolute level of the hole count is a function of test specimen atomic number, overall specimen shape, and thin-foil thickness. In order that equivalent results may be obtained for any AEM in any laboratory in the world, this test must become standardized. The hole-count test we seek must be as simpl and as nonsubjective as the graphite 0.344nm lattice-line-resolution test. This lattice-resolution test spurred manufacturers to improve the image resolution of the TEM significantly in the 1970s and led to the even more stringent resolution tests of today. A similar phenomenon for AEM instruments would be welcome. The hole-count test can also indicate whether the spurious x-ray signal is generated by high-energy continuum x rays (bremsstrahlung) generated in the electron column (high K-line to L-line ratio) or uncollimated electrons passing through or around the C2 aperture (low K/L ratio).

Lyman, C. E.↗

Parasitic current collection by PASP Plus solar arrays

Solar cells at potentials positive with respect to a surrounding plasma collect electrons. Current is collected by the exposed high voltage surfaces: the interconnects and the sides of the solar cells. This current is a drain on the array power that can be significant for high-power arrays. In addition, this current influences the current balance that determines the floating potential of the spacecraft. One of the objectives of the Air Force (PL/GPS) PASP Plus (Photovoltaic Array Space Power Plus Diagnostics) experiment is an improved understanding fo parasitic current collection. We have done computer modeling of parasitic current collection and have examined current collection flight data from the first year of operations. Prior to the flight we did computer modeling to improve our understanding of the physical processes that control parasitic current collection. At high potentials, the current rapidly rises due to a phenomenon called snapover. Under snapover conditions, the equilibrium potential distribution across the dielectric surface is such that part of the area is at potentials greater than the first crossover of the secondary yield curve. Therefore, each incident electron generates more than one secondary electron. The net effect is that the high potential area and the collecting area increase. We did two-dimensional calculations for the various geometries to be flown. The calculations span the space of anticipated plasma conditions, applied potential, and material parameters. We used the calculations and early flight data to develop an analytic formula for the dependence of the current on the primary problem variables. The analytic formula was incorporated into the EPSAT computer code. EPSAT allows us to easily extend the results to other conditions. PASP Plus is the principal experiment integrated onto the Advanced Photovoltaic and Electronics Experiments (APEX) satellite bus. The experiment is testing twelve different solar array designs. Parasitic current collection is being measured for eight of the designs under various operational and environment conditions. We examined the current collected as a function of the various parameters for the six non-concentrator designs. The results are similar to those obtained in previous experiments and predicted by the calculations. We are using the flight data to validate the analytic formula developed. The formula can be used to quantify the parasitic current collected. Anticipating the parasitic current value allows the spacecraft designer to include this interaction when developing the design.

Davis, Victoria Ann↗

X-ray induced electron and ion fragmentation dynamics in IBr

Characterization of the inner-shell decay processes in molecules containing heavy elements is key to understanding x-ray damage of molecules and materials and for medical applications with Auger-electron-emitting radionuclides. The 1s hole states of heavy atoms can be produced by absorption of tunable x rays and the resulting vacancy decays characterized by recording emitted photons, electrons, and ions. The 1s hole states in heavy elements have large x-ray fluorescence yields that transfer the hole to intermediate electron shells that then decay by sequential Auger-electron transitions that increase the ion’s charge state until the final state is reached. In molecules, the charge is spread across the atomic sites, resulting in dissociation to energetic atomic ions. We have used x-ray/ion coincidence spectroscopy to measure charge states and energies of Iq+ and Brq′+ atomic ions following 1s ionization at the I and Br K-edges of IBr. We present the charge states and kinetic energies of the two correlated fragment ions associated with core-excited states produced during the various steps of the cascades. Here, to understand the dynamics leading to the ion data, we develop a computational model that combines Monte-Carlo/Molecular-Dynamics (MC/MD) simulations with a classical over-the-barrier model to track inner-shell cascades and redistribution of electrons in valence orbitals and nuclear motion of fragments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Superconductivity device comprising a phononic crystal

The invention is directed to a device and method to engineer the superconducting transition width by suppressing the phonon populations responsible for the Cooper-pair decoherence below the superconducting transition temperature via phononic bandgap engineering. The device uses phononic crystals to engineer a phononic frequency gap that suppresses the decohering thermal phonon population just below the Cooper-frequency, and thus the normal conduction electron population. For example, such engineering can relax the cooling requirements for a variety of circuits yielding higher operational quality factors for superconducting electronics and interconnects.

El-Kady, Ihab Fathy↗

Catalytic Dehydrogenation of Alkanes by PCP–Pincer Iridium Complexes Using Proton and Electron Acceptors

Dehydrogenation to give olefins offers the most broadly applicable route to the chemical transformation of alkanes. Furthermore, transition-metal-based catalysts can selectively dehydrogenate alkanes using either olefinic sacrificial acceptors or a purge mechanism to remove H 2 ; both of these approaches have significant practical limitations. Here, we report the use of pincer-ligated iridium complexes to achieve alkane dehydrogenation by proton-coupled electron transfer, using pairs of oxidants and bases as proton and electron acceptors. Up to 97% yield was achieved with respect to oxidant and base, and up to 15 catalytic turnovers with respect to iridium, using t-butoxide as base coupled with various oxidants, including oxidants with very low reduction potentials. Mechanistic studies indicate that (pincer)IrH 2 complexes react with oxidants and base to give the corresponding cationic (pincer)IrH + complex, which is subsequently deprotonated by a second equivalent of base; this affords (pincer)Ir which is known to dehydrogenate alkanes and thereby regenerates (pincer)IrH 2 .

02 PETROLEUM↗

Hybrid Kohn-Sham+Thomas-Fermi scheme for high-temperature density functional theory

We report density functional theory has revolutionised our understanding of dense, strongly coupled systems in the condensed-matter limit. At elevated temperatures, such as those found in warm dense matter and dense plasma, the computational cost of calculating enough states to accurately describe a thermal ensemble of electrons is a major obstacle to practical Kohn-Sham calculations. This problem has recently been tackled from a number of approaches, including a plane-wave approximation for electrons at high energy. In this work, we demonstrate how the Thomas-Fermi density of states, equivalent to a local plane-wave approximation, can yield improved results for thermodynamic quantities, electron density profiles, and interatomic forces while requiring fewer states than existing methods.

36 MATERIALS SCIENCE↗

First Event-by-Event Identification of Cherenkov Radiation from Sub-Mev Particles in Liquid Argon

This Letter reports the event-by-event observation of Cherenkov light from sub-MeV electrons in a high scintillation light-yield liquid argon detector by the coherent CAPTAIN-Mills (CCM) experiment. The CCM200 detector, located at Los Alamos National Laboratory, instruments seven tons (fiducial volume) of liquid argon with 200 eight-inch photomultiplier tubes, 80% of which are coated in a wavelength-shifting material and the remaining 20% are uncoated. In the prompt time region of an event, defined as - 6 ≤ t < 0 ns relative to the event start time t = 0 , the uncoated photomultiplier tubes are primarily sensitive to visible Cherenkov photons. Using gamma rays from a Na 22 source for production of sub-MeV electrons, we isolated prompt Cherenkov light with > 5 σ confidence and developed a selection to obtain a low-background electromagnetic sample. This is the first event-by-event observation of Cherenkov photons from sub-MeV electrons in a high-yield scintillator detector and represents a milestone in low-energy particle detector development.

Aguilar-Arevalo, A. A. [UNAM, Mexico]↗

Temperature dependence (4K to 300K) of the electrical resistivity of methane grown carbon fibers

Experimental measurements of the electrical resistivity vs temperature of methane vapor grown carbon fibers are presented. The fibers are heat treated from 1100 C (as-grown) to 3000 C. Data are fit to a standard two band model, which yields values for boundary scattering limited electron mobility, in-plane mean free path, energy band overlap, and total carrier density. The data are also fit to an ellipsoidal band model, where data fits yield effective masses, band overlap, Fermi velocity, phonon contributions to scattering, and ionized impurity scattering rates.

Woollam, John A.↗

Parallel Broadband Femtosecond Reflection Spectroscopy at a Soft X-Ray Free-Electron Laser

X-ray absorption spectroscopy (XAS) and the directly linked X-ray reflectivity near absorption edges yield a wealth of specific information on the electronic structure around the resonantly addressed element. Observing the dynamic response of complex materials to optical excitations in pump–probe experiments requires high sensitivity to small changes in the spectra which in turn necessitates the brilliance of free electron laser (FEL) pulses. However, due to the fluctuating spectral content of pulses generated by self-amplified spontaneous emission (SASE), FEL experiments often struggle to reach the full sensitivity and time-resolution that FELs can in principle enable. Here, we implement a setup which solves two common challenges in this type of spectroscopy using FELs: First, we achieve a high spectral resolution by using a spectrometer downstream of the sample instead of a monochromator upstream of the sample. Thus, the full FEL bandwidth contributes to the measurement at the same time, and the FEL pulse duration is not elongated by a monochromator. Second, the FEL beam is divided into identical copies by a transmission grating beam splitter so that two spectra from separate spots on the sample (or from the sample and known reference) can be recorded in-parallel with the same spectrometer, enabling a spectrally resolved intensity normalization of pulse fluctuations in pump–probe scenarios. We analyze the capabilities of this setup around the oxygen K- and nickel L-edges recorded with third harmonic radiation of the free electron laser in Hamburg (FLASH), demonstrating the capability for pump–probe measurements with sensitivity to reflectivity changes on the per mill level.

36 MATERIALS SCIENCE↗

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

CONSPECTUS: Photoelectrochemical water-splitting is a promising and sustainable way to store the energy of the sun in chemical bonds and use it to produce hydrogen gas, a clean fuel. The key components in photoelectrochemical cells (PECs) are photoelectrodes, including a photocathode that reduces water to hydrogen gas and a photoanode that oxidizes water to oxygen gas. Materials used in photoelectrodes for PECs must effectively absorb sunlight, yield photogenerated carriers, and exhibit electronic properties that enable the efficient shuttling of carriers to the surface to participate in relevant water-splitting reactions. Discovering and understanding the key characteristics of optimal photoelectrode materials is paramount to the realization of PEC technologies. Oxide-based photoelectrodes can satisfy many of these materials requirements, including stability in aqueous environments, band edges with reasonable alignment with the redox potentials for water splitting, and ease of synthesis. However, oxide photoelectrodes generally suffer from poor charge transport properties and considerable bulk electron-hole separation, and they have relatively large band gaps. Numerous strategies have been proposed to improve these aspects and understand how these improvements are reflected in the photoelectrochemical performance. Unfortunately, the structural and compositional complexity of multinary oxides accompanied by the inherent complexity of photoelectrochemical processes makes it challenging to understand the individual effects of composition, structure, and defects in the bulk and on the surface on a material's photoelectrochemical properties. The integration of experiment and theory has great potential to increase our atomic-level understanding of structure-composition-property relationships in oxide photoelectrodes. In this Account, we describe how integrating experiment and theory is beneficial for achieving scientific insights at the microscopic scale. We highlight studies focused on understanding the role of (i) bulk composition via solid-state solutions, intercalation, and comparison with isoelectronic compounds, (ii) dopants for both the anion and cation and their interactions with oxygen vacancies, and (iii) surface/interface structure in the photocurrent generation and photoelectrochemical performance in oxide photoelectrodes. In each instance, we outline strategies and considerations for integrating experiment and theory and describe how this integration led to valuable insights and new directions in uncovering structure-composition-property relationships. Our aim is to demonstrate the unique value of combining experiment and theory in studying photoelectrodes and to encourage the continued effort to bring experiment and theory in closer step with each other.

Wang, Wennie↗

Active Sites in the Dealuminated Beta Zeolite-Supported Cobalt Catalyst for Non-Oxidative Ethane Dehydrogenation

Dispersed metal species in siliceous zeolites have been actively studied for non-oxidative dehydrogenation of ethane (NDE). Fundamental insights into the dynamics of metal species in zeolites under reaction conditions have rarely been explored. Herein, we report an atomic level understanding of the dynamics and activity of cobalt (Co) sites in dealuminated Beta zeolite (DeAl-BEA) for NDE during induction and reaction conditions with extensive characterization techniques such as diffuse reflectance UV–vis, solid state nuclear magnetic resonance and X-ray photoelectron, X-ray diffraction along with in situ Fourier transform infrared and X-ray absorption spectroscopy. For a catalyst with 0.5 mass % Co loading, tetrahedral Co 2+ mononuclear sites, di-coordinated to the zeolite framework and with two silanol groups in vicinity (i.e., (≡SiO) 2 Co(HO–Si≡) 2 ), form upon exposure to hydrogen during induction and persist through the NDE reaction. Increasing the Co loading to 3.0 mass % yielded Co sites with similar electronic and coordination structures but slightly elongated Co–O bonds. Upon cooling to room temperature, the Co sites persisted in the same coordination environment, though the disappearance of a feature in the Co K-edge near-edge region revealed changes in the active site’s electronic structure coinciding with modest shifts in bond lengths. The electronic structure and activity of (≡SiO) 2 Co(HO–Si≡) 2 sites were studied comparatively to a few other hypothetical Co 2+ coordination structures, using electronic structure calculations and microkinetic simulations. The simulations showed that NDE is controlled by β-hydride elimination following C–H bond activation and that Co-sites possessing flexibility because of neighboring silanol defects are more active. Interestingly, dinuclear Co–O–Co sites (i.e., (≡SiO)Co(HO–Si≡) 2 –O–(HO–Si≡) 2 Co(≡SiO)) were more active than the mononuclear (≡SiO) 2 Co(HO–Si≡) 2 sites because of favorable hydrogen bonding with the vicinal silanol groups. In conclusion, the present study bridges the gap between the knowledge acquired by ex-situ characterizations and the active sites under the reaction conditions in alkane dehydrogenation chemistry.

36 MATERIALS SCIENCE↗

String-based axial and helicity-flip GPDs: A comparison to lattice QCD

We construct an analytic, string-based representation of the nucleon’s axial and helicity-flip conformal moments of generalized parton distributions (GPDs) that holds for skewness and for both the quark and gluon channels. The starting point is the Mellin-Barnes resummation of the conformal partial-wave expansion, where the moments are parametrized by open- (Reggeon) and closed-string (Pomeron) trajectories with slopes determined by experimental form factors and meson/glueball spectroscopy. The forward limits are fixed by the empirical unpolarized and polarized parton distributions. Polynomiality, crossing symmetry, and support are satisfied by construction. After next-to-leading order Dokshitzer-Gribov-Lipatov-Altarelli-Parisi/Efremov-Radyushkin-Brodsky-Lepage evolution to μ = 2 GeV our analytic framework (i) reproduces some of the currently available lattice moments of E and H˜ in the nonsinglet sector, (ii) predicts sea-quark and gluon polarized moments that will be testable by forthcoming simulations and experiments at Jefferson Lab and the future Electron-Ion Collider, and (iii) yields axial and helicity-flip GPDs in x-space in reasonable agreement with lattice QCD.

Gauge-gravity dualities↗