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At least 451 records · Page 25

Absolute dissociative electron attachment cross-section measurement of difluoromethane

Dissociative electron attachment (DEA) to difluoromethane (CH 2 F 2 ) has been studied in the electron energy range of 0 to 16 eV. Two resonant states around 2 and 11.4 eV leading to three different fragment anions (F - , CHF - , and F 2 - ) are observed. Ion-yield curves of the negative ions help us to locate the position of the resonant states. In the ion-yield curve of F - ions, one small hump near 9.8 eV followed by a peak around 15.2 eV is also observed. Absolute DEA cross sections of the F - ion is measured by using the well-known relative flow technique. Dissociation channels associated with each resonant states are identified by density-functional theory (DFT) calculations of the threshold energies. The theory matches quite well within the experimental uncertainty.

74 ATOMIC AND MOLECULAR PHYSICS↗

Single photon simultaneous K-shell ionization and K-shell excitation. II. Specificities of hollow nitrogen molecular ions

The formalism developed in the companion Paper I is used here for the interpretation of spectra obtained recently on the nitrogen molecule. Double core-hole ionization K{sup −2} and core ionization-core excitation K{sup −2}V processes have been observed by coincidence electron spectroscopy after ionization by synchrotron radiation at different photon energies. Theoretical and experimental cross sections reported on an absolute scale are in satisfactory agreement. The evolution with photon energy of the relative contribution of shake-up and conjugate shake-up processes is discussed. The first main resonance in the K{sup −2}V spectrum is assigned to a K{sup −2}π{sup ∗} state mainly populated by the 1s→ lowest unoccupied molecular orbital dipolar excitation, as it is in the K{sup −1}V NEXAFS (Near-Edge X-ray Absorption Fine Structure) signals. Closer to the K{sup −2} threshold Rydberg resonances have been also identified, and among them a K{sup −2}σ{sup ∗} resonance characterized by a large amount of 2s/2p hybridization, and double K{sup −2}(2σ{sup ∗}/1π/3σ){sup −1}1π{sup ∗2} shake-up states. These resonances correspond in NEXAFS spectra to, respectively, the well-known σ{sup ∗} shape resonance and double excitation K{sup −1}(2σ{sup ∗}/1π/3σ){sup −1}1π{sup ∗2} resonances, all being positioned above the threshold.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extended plasma channels created by UV laser in air and their application to control electric discharges

Results are presented from a series of experimental and theoretical studies on creating weakly ionized extended plasma channels in atmospheric air by 248-nm UV laser radiation and their application to control long high-voltage discharges. The main mechanisms of air ionization by UV laser pulses with durations from 100 fs to 25 ns and intensities in the ranges of 3×10{sup 11}–1.5×10{sup 13} and 3×10{sup 6}–3×10{sup 11} W/cm{sup 2}, respectively, which are below the threshold for optical gas breakdown, as well as the main relaxation processes in plasma with a density of 10{sup 9}–10{sup 17} cm{sup −3}, are considered. It is shown that plasma channels in air can be efficiently created by amplitude-modulated UV pulses consisting of a train of subpicosecond pulses producing primary photoelectrons and a long UV pulse suppressing electron attachment and sustaining the density of free electrons in plasma. Different modes of the generation and amplification of trains of subterawatt subpicosecond pulses and amplitude-modulated UV pulses with an energy of several tens of joules were implemented on the GARPUN-MTW hybrid Ti:sapphire-KrF laser facility. The filamentation of such UV laser beams during their propagation in air over distances of up to 100 m and the parameters of the corresponding plasma channels were studied experimentally and theoretically. Laser initiation of high-voltage electric discharges and control of their trajectories by means of amplitude-modulated UV pulses, as well as the spatiotemporal structure of breakdowns in air gaps with length of up to 80 cm, were studied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Probing the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals using high-resolution photoelectron imaging of cryogenically cooled anions

High-resolution photoelectron imaging and photodetachment spectroscopy of cryogenically cooled pyrrolide and imidazolide anions are used to probe the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals. The high-resolution data allow the ground state vibronic structures of the two radicals to be completely resolved, yielding accurate electron affinities of 2.1433 ± 0.0008 eV and 2.6046 ± 0.0006 eV for pyrrolyl and imidazolyl radicals, respectively. Fundamental frequencies for eight vibrational modes of pyrrolyl and ten vibrational modes of imidazolyl are measured, including several nonsymmetric Franck–Condon-forbidden modes. Two electronic excited states are also observed for the two radicals, displaying diffuse spectral features in both systems. The observations of nonsymmetric vibrational modes in the ground states and the diffuse excited state features provide strong evidence for vibronic couplings between the ground state and the two close-by excited states. The 2-pyrrolide isomer is also observed as a minor species from the electrospray ionization source and the electron affinity of 2-pyrrolyl is measured to be 1.6690 ± 0.0030 eV along with five vibrational frequencies. Even though the HOMOs of both pyrrolide and imidazolide anions are p orbitals, photodetachment spectroscopy reveals completely different threshold behaviors for the two anions: a d-wave-dominated spectrum for pyrrolide and an s-wave-dominated spectrum for imidazolide. Furthermore, the current study provides a wealth of electronic and spectroscopic information, which is ideal to compare with more accurate vibronic coupling calculations for these two important radicals, as well as interesting information about the photodetachment dynamics of the two anions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Search by the SENSEI Experiment for Millicharged Particles Produced in the NuMI Beam

Millicharged particles appear in several extensions of the standard model, but have not yet been detected. These hypothetical particles could be produced by an intense proton beam striking a fixed target. We use data collected in 2020 by the SENSEI experiment in the MINOS cavern at the Fermi National Accelerator Laboratory to search for ultrarelativistic millicharged particles produced in collisions of protons in the NuMI beam with a fixed graphite target. The absence of any ionization events with 3 to 6 electrons in the SENSEI data allow us to place world-leading constraints on millicharged particles for masses between 30 to 380 MeV. This work also demonstrates the potential of utilizing low-threshold detectors to investigate new particles in beam-dump experiments, and motivates a future experiment designed specifically for this purpose. Published by the American Physical Society 2024

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Role of electrostatic fluctuations in doped semiconductors upon the transition from band to hopping conduction (by the example of p-Ge:Ga)

The electrostatic model of ionization equilibrium between hydrogen-like acceptors and v-band holes in crystalline covalent p-type semiconductors is developed. The range of applicability of the model is the entire insulator side of the insulator–metal (Mott) phase transition. The density of the spatial distribution of acceptor- and donor-impurity atoms and holes over a crystal was assumed to be Poissonian and the fluctuations of their electrostatic potential energy, to be Gaussian. The model takes into account the effect of a decrease in the energy of affinity of an ionized acceptor to a v-band hole due to Debye–Hückel ion screening by both free v-band holes and localized holes hopping over charge states (0) and (–1) of acceptors in the acceptor band. All donors are in charge state (+1) and are not directly involved in the screening, but ensure the total electroneutrality of a sample. In the quasiclassical approximation, analytical expressions for the root-mean-square fluctuation of the v-band hole energy W{sub p} and effective acceptor bandwidth W{sub a} are obtained. In calculating W{sub a}, only fluctuations caused by the Coulomb interaction between two nearest point charges (impurity ions and holes) are taken into account. It is shown that W{sub p} is lower than W{sub a}, since electrostatic fluctuations do not manifest themselves on scales smaller than the average de Broglie wavelength of a free hole. The delocalization threshold for v-band holes is determined as the sum of the diffusive-percolation threshold and exchange energy of holes. The concentration of free v-band holes is calculated at the temperature T{sub j} of the transition from dc band conductivity to conductivity implemented via hopping over acceptor states, which is determined from the virial theorem. The dependence of the differential energy of the thermal ionization of acceptors at the temperature 3T{sub j}/2 on their concentration N and degree of compensation K (the ratio between the donor and acceptor concentrations) is determined. Good quantitative agreement between the results of the calculation and data on the series of neutron transmutation doped p-Ge samples is obtained up to the Mott transition without using any fitting parameters.

36 MATERIALS SCIENCE↗

Low-Temperature Non-Oxidative Coupling of Methane on Atomically Dispersed Titanium–Aluminum–Boron Nanopowder

Nonoxidative coupling of methane represents a long-standing challenge in heterogeneous catalysis, as it requires activation of the carbon–hydrogen (C–H) bond, controlled carbon–carbon (C–C) bond formation, and effective hydrogen management without relying on oxidants. Here, we report a low-temperature C–H activation and nonoxidative C–C coupling of methane over atomically dispersed titanium–aluminum–boron nanopowder (Ti–Al–B NP) utilizing a catalytic microreactor coupled to synchrotron single-photon photoionization reflectron time-of-flight mass spectrometry. The soft-ionization, in situ probing method detects the nascent reaction products and radical intermediates under operando conditions, including methyl radical, C2 hydrocarbons, and molecular hydrogen. Methane activation is initiated at 800 K, approximately 700 K below the gas-phase decomposition threshold, leading predominantly to ethylene formation with selectivity reaching up to 78% among the C–C coupled products. Electronic structure calculations on model Ti–Al–B clusters elucidate a cooperative catalytic mechanism in which titanium enables methane adsorption and C–H activation, boron acts as a reversible hydrogen reservoir, and aluminum stabilizes methylene intermediates, thereby facilitating selective C–C coupling and dehydrogenation. These findings establish a distinct catalyst architecture for nonoxidative methane coupling based on earth abundant elements alternative to expensive platinum and other noble metal-containing conventional catalysts and provide molecular-level design principles for controlling dehydrogenation and subsequent C–C bond formation in challenging light alkane conversions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validation of ablation model for polyethylene using pulsed x-ray and proton exposures

The surface erosion of polyethylene is interrogated using pulsed x rays at the Z Machine (Sandia National Laboratories) and with proton beams at the Gamble II generator (Naval Research Laboratory) to validate a coupled model for volumetric thermal ablation, photoionization, finite-rate decomposition, and molecular recombination of radicals. The intense radiation pulses (up to ∼1014W/m2 over tens of nanoseconds) are used to generate one-dimensional vapor flows with low ionization fractions and a simplified geometry compared to typical laser ablation, allowing for evaluation of the model under local thermal equilibrium conditions. Areal momentum carried by the ensuing uniaxial hydrodynamic shock is used to indicate the extent of ablation. The threshold fluence for ablation is found to be in close correspondence with the bulk melt transition, and reasonable agreement with the model is obtained for peak temperatures in polyethylene up to 5500 K and heating rates up to 1011K/s where thermal decomposition reactions are also active.

Moore, N. W. (ORCID:0000000272259674)↗

Modeling of Charge Amplification in LArTPCs

Single-phase liquid argon time projection chambers (LArTPCs) are an important part of Fermilab's neutrino experimental program. Current LArTPCs are able to detect interactions producing energy deposits above the MeV scale, and focus on neutrinos at GeV energies. The Liquid Argon Charge Amplification Device, or LArCADe, program aims to employ modified anode geometries in order to obtain electron avalanches that would help reduce detection thresholds, opening the door to new physics opportunities at the keV scale (e.g. CEvNS and dark-matter WIMP searches). To model and quantify this phenomenon, a simulation of electron transport in LAr was built, able to simulate excitations and ionizations in non-uniform fields. Using COMSOL simulations of the anode structures, the built simulation produced quantitative and realistic estimates of LAr charge amplification near different tip geometries. These results will inform the next generation of tips produced for LArCADe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A fast and reliable method for daily quality assurance in spot scanning proton therapy with a compact and inexpensive phantom

In a radiotherapy center, daily quality assurance (QA) measurements are performed to ensure that the equipment can be safely used for patient treatment on that day. In a pencil beam scanning (PBS) proton therapy center, spot positioning, spot size, range, and dose output are usually verified every day before treatments. We designed, built, and tested a new, reliable, sensitive, and inexpensive phantom, coupled with an array of ionization chambers, for daily QA that reduces the execution times while preserving the reliability of the test. The phantom is provided with 2 pairs of wedges to sample the Bragg peak at different depths to have a transposition on the transverse plane of the depth dose. Three “boxes” are used to check spot positioning and delivered dose. The box thickness helps spread the single spot and to fit a Gaussian profile on a low resolution detector. We tested whether our new QA solution could detect errors larger than our action levels: 1 mm in spot positioning, 2 mm in range, and 10% in spot size. Execution time was also investigated. Our method is able to correctly detect 98% of spots that are actually in tolerance for spot positioning and 99% of spots out of 1 mm tolerance. All range variations greater than the threshold (2 mm) were correctly detected. The analysis performed over 1 month showed a very good repeatability of spot characteristics. The time taken to perform the daily quality assurance is 20 minutes, a half of the execution time of the former multidevice procedure. This “in-house build” phantom substitutes 2 very expensive detectors (a multilayer ionization chamber [MLIC] and a strip chamber, reducing by 5 times the cost of the equipment. We designed, built, and validated a phantom that allows for accurate, sensitive, fast, and inexpensive daily QA procedures in proton therapy with PBS.

61 RADIATION PROTECTION AND DOSIMETRY↗

Electron-Impact-Induced Fragmentation of a Glutamine Molecule

The formation of ionized products upon single and dissociative ionization of a glutamine (C{sub 5}H{sub 10}N{sub 2}O{sub 3}) molecule by electron impact at low (70 eV) and high (11.5 MeV) energies has been studied by method of mass spectrometry. The mass spectra of glutamine molecules have been obtained upon electron irradiation to various doses (0, 5, 10, and 20 kGy) and for various threshold functions of ion fragment yield. The absolute values of ion fragment appearance energies are determined. Electron beams were generated by a three-electrode gun and electron accelerator (microtron). Comparative analysis of the measured mass spectra of unirradiated and irradiated glutamine molecules showed that high-energy irradiation produced irreversible changes in the molecular structure.

74 ATOMIC AND MOLECULAR PHYSICS↗

Short Circuit Detection and Voltage Sense for High Voltage Ionization Tube Power Supplies

Fermilab's PIP-II upgrade requires new rack-mounted power supplies for Beam Loss Monitor (BLM) ionization tubes compatible with the microTCA 4.1 standard, supporting high-side current measurement for short circuit detection, voltage sense telemetry, and low-side current measurement for beam loss readout. This work presents the design and preliminary schematic of such a supply. A resistive current sensing approach was chosen over inductive, optical, and Hall-effect alternatives for its independence from cable length and component availability. A 500 mΩ inline shunt steps the 2 kV common mode voltage down to roughly 70 V, producing a ~27 μV pulse during a short, which is amplified 500x, compared against a 14-bit DAC threshold, and latched to drive a fault line. Voltage sense steps the 2 kV output down at a 1V/1000V ratio, buffers it with a low bias current amplifier, and digitizes it via a 24-bit ADC over SPI. Onboard power is regulated from 12 V down to isolated 5 V and 3.3 V rails, with capacitive isolation on FPGA communication lines. Lumped parameter models were developed for the ionization tube (0.327 nF, 20 to 200 GΩ dynamic resistance) and the RG-58 coaxial cable to support the design. Component selection is complete and a preliminary schematic has been drawn in Altium Designer, forming the foundation for future prototyping and validation.

Yu, Kellen [Cornell U.]↗

Attosecond time delays at Cooper minima in valence-shell photoionization of alkali-metal and alkaline-earth-metal atoms

Ji et al. [New J. Phys. 26, 093014 (2024)] established a direct link between the photoionization cross section and the attosecond time delay near Cooper minima (CM) in the valence shells of noble-gas atoms. This link is based on the analytic properties of the ionization amplitude in the complex plane of the photoelectron energy, and is particularly sensitive to the winding number of the amplitude around the origin of the complex energy plane. Here, in this study, we demonstrate an analogous relation for photoionization of the valence 𝑛⁢𝑠 shells of alkali-metal atoms (AMA), from Na (𝑛 = 3) to Cs (𝑛 = 6), as well as alkaline-earth-metal atoms (AEMA), from Mg (𝑛 = 3) to Ba (𝑛 = 6). To this end, we employ a fully relativistic formalism that separates the two complementary 𝑛⁢𝑠 1/2 → 𝐸⁢𝑝 1/2 and 𝐸⁢𝑝 3/2 ionization channels. Each of these channels exhibits a phase variation close to 𝜋, but in opposite directions, near their respective Cooper minima. This phase variation vanishes in a nonrelativistic formulation, where the two channels become degenerate. For AMA, due to the threshold proximity of the CM, the universal Coulomb contribution to the time delay must be subtracted. The remaining component of the time delay is target-specific, angular-dependent, and accessible through comparative measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hyper-Velocity Nanoparticle Plasma Jet as Fast Probe for Runaway Electrons in Tokamak Disruptions

The large energy focalized deposition of the runaway electron (RE) beam on the first wall can potentially yield to destructive effects on the reactor vessel during the explosive instability of a major disruption in a large tokamak (e.g. RE beam estimation is multi-MA of ~10 MeV energy in ITER.) Impurity injection is seen as an effective way to suppress REs after thermal quench (TQ). Injected material in solid state is advantageous, but it must be in small size grain form, with large surface-to-mass ratio to facilitate its rapid ablation within plasma. However, the results using shattered pellet injection (SPI), a technique aiming to satisfy these condition, indicated that the relatively unexplored RE evolution phases and RE beam-plasma interaction are far from being properly diagnosed and fully understood. We proposed the idea to probe REs with a pulsed power hyper-velocity large-mass nanoparticle plasma jet (NPPJ). NPPJ provides a high specific surface area and swift injection to core, hence fast increase of three basic parameters: 1) the electron density ne (bound and free through ionization, if the cold post-TQ plasma has a still high enough T e ), 2) the effective charge (Z eff ) which rises both the dynamical friction force and plasma resistivity, and, finally, 3) the value of the (Dreicer and critical) threshold E-field above which electrons are accelerated and become REs. But the fast transient phenomena of RE ”seed” creation, RE ”avalanche” multiplication, and RE beam formation and interaction with the background plasma all take place dominantly in the core plasma, where the induction E-field has its maximum. Thus, the RE probe success requires a rapid (1 - 2 ms) injection of sufficient mass able to penetrate through the strong toroidal magnetic field (2 - 5 T) over a long distance (~1 - 2 m) with a large assimilation fraction in the core plasma. As a RE probe, NPPJ is a unique combination of fast response with trigger-to-delivery time of few milliseconds, large mass-velocity (>75 mg at several km/s) and deep injection into post-TQ central plasma. The Objectives of this Category #1 project (concept development) were as follows: 1: We investigated the essential basic physics aspects of creating a plasma with ~10 15 to 10 16 cm -3 boron nitride (BN) NP density suited for a pulsed power plasma gun acceleration to several km/s. We concluded that, for RE NPPJ probe, BN (diameter Ø10 to 100 nm NPs) are in all respects usable. 2: We advanced solutions to get BN NPPJ by adapting FAR-TECH’s technology for C 60 NPPJ. 3: We developed self-consistent models for RE current density j RE (R; t) evolution in the TQ aftermath, with fast and simultaneous increase of n e (R; t) and Z eff (R; t) > 1 upon the specific injection of C 60 (i.e. C ions) and BN NP (i.e. B and N ions), respectively. We showed that prompt post-TQ injection and high velocity are of essence in RE probe diagnostics and suppression. 4: We used the in-house HEM-2D code to simulate the C$_{60}^{q+}$ NPPJ transverse penetration through tokamak-level B-field (BT ~2 to 5 T) and distance (~1 to 2m), with fragmentation of C$_{60}^{q+}$ and developed the algorithm for BN Q+ NPPJ ablative sublimation of BN Q+ NP by the collisions with post-TQ plasma electrons. HEM-2D results indicated that fragmenting C$_{60}^{1+}$ NPPJ penetrates up to ~60 cm in 100 us when injecting at 1.6 ms after TQ and gradually released C 2 fragments and C ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The AGORA High-resolution Galaxy Simulations Comparison Project. VI. Similarities and Differences in the Circumgalactic Medium

Abstract We analyze the circumgalactic medium (CGM) for eight commonly-used cosmological codes in the AGORA collaboration. The codes are calibrated to use identical initial conditions, cosmology, heating and cooling, and star formation thresholds, but each evolves with its own unique code architecture and stellar feedback implementation. Here, we analyze the results of these simulations in terms of the structure, composition, and phase dynamics of the CGM. We show properties such as metal distribution, ionization levels, and kinematics are effective tracers of the effects of the different code feedback and implementation methods, and as such they can be highly divergent between simulations. This is merely a fiducial set of models, against which we will in the future compare multiple feedback recipes for each code. Nevertheless, we find that the large parameter space these simulations establish can help disentangle the different variables that affect observable quantities in the CGM, e.g., showing that abundances for ions with higher ionization energy are more strongly determined by the simulation’s metallicity, while abundances for ions with lower ionization energy are more strongly determined by the gas density and temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

Volume nanograting formation in laser-silica interaction as a result of the 1D plasma-resonance ionization instability

The initial stage of the small-scale ionization-induced instability developing inside the fused silica volume exposed to the femtosecond laser pulse is studied as a possible initial cause of the self-organized nanograting formation. We have calculated the spatial spectra of the instability with the electron-hole diffusion taken into account for the first time and have found that it results in the formation of some hybrid (diffusion-wave) 1D structure with the spatial period determined as the geometrical mean of the laser wavelength and characteristic diffusion length of the process considered. Near the threshold of the instability, this period occurs to be approximately equal to the laser half-wavelength in the silica, close to the one experimentally observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

HIGH-TEMPERATURE IONIZATION IN PROTOPLANETARY DISKS

We calculate the abundances of electrons and ions in the hot (≳500 K), dusty parts of protoplanetary disks, treating for the first time the effects of thermionic and ion emission from the dust grains. High-temperature ionization modeling has involved simply assuming that alkali elements such as potassium occur as gas-phase atoms and are collisionally ionized following the Saha equation. We show that the Saha equation often does not hold, because free charges are produced by thermionic and ion emission and destroyed when they stick to grain surfaces. This means the ionization state depends not on the first ionization potential of the alkali atoms, but rather on the grains’ work functions. The charged species’ abundances typically rise abruptly above about 800 K, with little qualitative dependence on the work function, gas density, or dust-to-gas mass ratio. Applying our results, we find that protoplanetary disks’ dead zone, where high diffusivities stifle magnetorotational turbulence, has its inner edge located where the temperature exceeds a threshold value ≈1000 K. The threshold is set by ambipolar diffusion except at the highest densities, where it is set by Ohmic resistivity. We find that the disk gas can be diffusively loaded onto the stellar magnetosphere at temperatures below a similar threshold. We investigate whether the “short-circuit” instability of current sheets can operate in disks and find that it cannot, or works only in a narrow range of conditions; it appears not to be the chondrule formation mechanism. We also suggest that thermionic emission is important for determining the rate of Ohmic heating in hot Jupiters.

79 ASTRONOMY AND ASTROPHYSICS↗

Total and partial electron impact ionization cross sections of fusion-relevant diatomic molecules

We discuss calculations of total (and absolute) electron-impact ionization cross sections (EICSs) for the fusion-relevant diatomic molecular species BeH, BeN, BeO, WH, WBe, WN, WO, O 2 , and N 2 by means of the Deutsch-Märk and the binary-encounter-Bethe approaches in the energy range from threshold to 10 keV. In addition, we discuss an empirical scheme to estimate partial cross sections from the total ones based on reaction energetics and empirical threshold laws and explore its accuracy by assessing available experimental data on total and partial EICSs. Lastly, we also observe parameters obtained by fitting the calculated cross sections to an expression commonly used in fusion edge plasma modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗