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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Magic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion

The stability and distributions of small water clusters generated in a supersonic beam expansion are interrogated by tunable vacuum ultraviolet (VUV) radiation generated at a synchrotron. Time-of-flight mass spectrometry reveals enhanced population of various protonated water clusters (H + (H 2 O) $n$ ) based upon ionization energy and photoionization distance from source, suggesting there are "magic" numbers below the traditional $n$ = 21 that predominates in the literature. These intensity distributions suggest that VUV threshold photoionization (11.0-11.5 eV) of neutral water clusters close to the nozzle exit leads to a different nonequilibrium state compared to a skimmed molecular beam. This results in the appearance of a new magic number at 14. Metadynamics conformer searches coupled with modern density functional calculations are used to identify the global minimum energy structures of protonated water clusters between $n$ = 2 and 21, as well as the manifold of low-lying metastable minima. New lowest energy structures are reported for the cases of $n$ = 5, 6, 11, 12, 16, and 18, and special stability is identified by several measures. These theoretical results are in agreement with the experiments performed in this work in that $n$ = 14 is shown to exhibit additional stability, based on the computed second-order stabilization energy relative to most cluster sizes, though not to the extent of the well-known $n$ = 21 cluster. Other cluster sizes that show some additional energetic stability are $n$ = 7, 9, 12, 17, and 19. To gain insight into the balance between ion-water and water-water interactions as a function of the cluster size, an analysis of the effective two-body interactions (which sum exactly to the total interaction energy) was performed. In conclusion, this analysis reveals a crossover as a function of cluster size between a water-hydronium-dominated regime for small clusters and a water-water-dominated regime for larger clusters around $n$ = 17.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Copper fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser-solid experiments

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser-solid experiments through the K-shell emission cross section. In addition, copper is a material that has been often used in those experiments because it has a maximum total K-shell emission yield. Furthermore, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al., 2012), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the copper isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent copper ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 10 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic form proposed by Davies et al. (2013)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The Cosmic Evolution of C IV Absorbers at 1.4 < z < 4.5: Insights from 100,000 Systems in DESI Quasars

We present the largest catalog to date of triply ionized carbon (C IV ) absorbers detected in quasar spectra from the Dark Energy Spectroscopic Instrument. Using an automated matched-kernel convolution method with adaptive signal-to-noise thresholds, we identify 101,487 C IV systems in the redshift range 1.4 < z < 4.5 from 300,637 quasar spectra. Completeness is estimated via Monte Carlo simulations, and the catalog is 50% complete at EW C IV ≥ 0.4 Å. The differential equivalent width frequency distribution declines exponentially and shows weak redshift evolution. The absorber incidence per unit comoving path increases by a factor of 2–5 from z ≈ 4.5 to z ≈ 1.4, with stronger redshift evolution for strong systems. Using column densities derived from the apparent optical depth method, we constrain the cosmic mass density of C IV , Ω C IV , which increases by a factor of ∼3.8 from (0.82 ± 0.05) × 10 −8 at z ≈ 4.5 to (3.16 ± 0.2) × 10 −8 at z ≈ 1.4. From Ω C IV , we estimate a lower limit on intergalactic medium metallicity ${\mathrm{log}}({Z}_{{\rm{IGM}}}/{Z}_{\odot })\gtrsim -3.25$ at z ∼ 2.3, with a smooth decline at higher redshifts. These trends trace the cosmic star formation history and He II photoheating rate, suggesting a link between C IV enrichment, star formation, and UV background over ∼3 Gyr. The catalog also provides a critical resource for future studies connecting circumgalactic metals to galaxy evolution, especially near cosmic noon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Exclusive muon neutrino charged current pion-less topologies. ArgoNeuT results and future prospects in LAr TPC detectors

Results from the analysis of charged current pion-less (CC 0-pion) muon neutrino events in argon collected by the ArgoNeuT experiment on the NuMI beam at Fermilab are presented and compared with predictions from Monte Carlo simulations. A novel analysis method, based on the reconstruction of exclusive topologies, fully exploiting the Liquid argon Time Projection Chamber (LAr TPC) technique capabilities, is used to analyze the events, characterized by the presence at the vertex of a leading muon track eventually accompanied by one or more highly ionizing tracks, and study nuclear effects in neutrino interactions on argon nuclei. Multiple protons accompanying the leading muon are visible in the ArgoNeuT events, and measured with a proton reconstruction threshold of 21 MeV kinetic energy. As a result, measurements of (anti-)neutrino CC 0-pion inclusive and exclusive cross sections on argon nuclei are reported. Prospects for future, larger mass LAr TPC detectors are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Sensitivity projections for a dual-phase argon TPC optimized for light dark matter searches through the ionization channel

Dark matter lighter than 10 GeV / c 2 encompasses a promising range of candidates. A conceptual design for a new detector, DarkSide-LowMass, is presented, based on the DarkSide-50 detector and progress toward DarkSide-20k, optimized for a low-threshold electron-counting measurement. Sensitivity to light dark matter is explored for various potential energy thresholds and background rates. These studies show that DarkSide-LowMass can achieve sensitivity to light dark matter down to the solar neutrino fog for GeV-scale masses and significant sensitivity down to 10 MeV / c 2 considering the Migdal effect or interactions with electrons. Requirements for optimizing the detector’s sensitivity are explored, as are potential sensitivity gains from modeling and mitigating spurious electron backgrounds that may dominate the signal at the lowest energies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Dissociative Excitation of Acetylene Induced by Electron Impact: Excitation-emission Cross-sections

The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190–660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines (hydrogen Balmer series, carbon) and molecular bands (CH(A–X), CH(B–X), CH{sup +}(B–A), and C{sub 2}). Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C{sub 2}H(A–X). For most important lines and bands of the spectrum we have measured absolute excitation-emission cross sections and determined the energy thresholds of the particular dissociative channels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Breakdown-prone volume in terahertz wave beams

This study was motivated by the recently proposed concept of remote detection of concealed radioactive materials by a focused terahertz (THz) radiation [V. L. Granatstein and G. S. Nusinovich, J. Appl. Phys. 108, 063304 (2010)]. According to this concept, a high-power THz radiation should be focused in a small spot where the field intensity exceeds the breakdown threshold. In the presence of free electrons in such a breakdown-prone volume, a THz discharge will occur there. However, this volume should be so small that in the absence of ionizing sources in its vicinity the probability to have there any free electrons is low. Then, the increased breakdown rate in a series of THz pulses would indicate the presence of hidden radioactive materials in the vicinity of the focused spot. For this concept, it is important to accurately determine the breakdown-prone volume created by a focused THz radiation. This problem is analyzed in this paper, first, for the case of a single wave beam and, then, for the case of crossing wave beams of different polarizations. The problem is studied first ignoring the diffraction spread of wave beams in the vicinity of the focal plane and, then, with the account for the diffraction spreading. Then, relations between the THz wave power, the range of such a system and the breakdown-prone volume are analyzed. Finally, the effect of the atmospheric turbulence on propagation and focusing of THz wave beams in air is considered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Dissociation dynamics of ion-pair states accessed by low-energy electron collisions

Abstract Ion-pair (IP) states are the superexcited states of the neutral molecule that dissociate as a pair of positive and negative ions. These states are generally present near the ionization continuum of the molecule. IP states can be accessed by using photoexcitation or by using the electron collision technique. Different photoexcitation techniques are widely used over the years to study the threshold (threshold IP production spectroscopy) and the dynamics (IP imaging spectroscopy) of the IP states. However, the electron collision technique is ignored over the years and only a few studies are available. In this review, we will discuss different experimental techniques to probe IP states by using electron collision and also the dynamics of the IP states that are accessed by the electron collision.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Enhancing the sensitivity of the LUX-ZEPLIN (LZ) dark matter experiment to low energy signals

Two-phase xenon detectors, such as that at the core of the forthcoming LZ dark matter experiment, use photomultiplier tubes to sense the primary (S1) and secondary (S2) scintillation signals resulting from particle interactions in their liquid xenon target. This paper describes a simulation study exploring two techniques to lower the energy threshold of LZ to gain sensitivity to low-mass dark matter and astrophysical neutrinos, which will be applicable to other liquid xenon detectors. The energy threshold is determined by the number of detected S1 photons; typically, these must be recorded in three or more photomultiplier channels to avoid dark count coincidences that mimic real signals. To lower this threshold: a) we take advantage of the double photoelectron emission effect, whereby a single vacuum ultraviolet photon has a $\sim20\%$ probability of ejecting two photoelectrons from a photomultiplier tube photocathode; and b) we drop the requirement of an S1 signal altogether, and use only the ionization signal, which can be detected more efficiently. For both techniques we develop signal and background models for the nominal exposure, and explore accompanying systematic effects, including the dependence on the free electron lifetime in the liquid xenon. When incorporating double photoelectron signals, we predict a factor of $\sim 4$ sensitivity improvement to the dark matter-nucleon scattering cross-section at $2.5$ GeV/c$^2$, and a factor of $\sim1.6$ increase in the solar $^8$B neutrino detection rate. Dropping the S1 requirement may allow sensitivity gains of two orders of magnitude in both cases. Finally, we apply these techniques to even lower masses by taking into account the atomic Migdal effect; this could lower the dark matter particle mass threshold to $80$ MeV/c$^2$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Enhancing the sensitivity of the LUX-ZEPLIN (LZ) dark matter experiment to low energy signals

Two-phase xenon detectors, such as that at the core of the forthcoming LZ dark matter experiment, use photomultiplier tubes to sense the primary (S1) and secondary (S2) scintillation signals resulting from particle interactions in their liquid xenon target. This paper describes a simulation study exploring two techniques to lower the energy threshold of LZ to gain sensitivity to low-mass dark matter and astrophysical neutrinos, which will be applicable to other liquid xenon detectors. The energy threshold is determined by the number of detected S1 photons; typically, these must be recorded in three or more photomultiplier channels to avoid dark count coincidences that mimic real signals. To lower this threshold: a) we take advantage of the double photoelectron emission effect, whereby a single vacuum ultraviolet photon has a $\sim20\%$ probability of ejecting two photoelectrons from a photomultiplier tube photocathode; and b) we drop the requirement of an S1 signal altogether, and use only the ionization signal, which can be detected more efficiently. For both techniques we develop signal and background models for the nominal exposure, and explore accompanying systematic effects, including the dependence on the free electron lifetime in the liquid xenon. When incorporating double photoelectron signals, we predict a factor of $\sim 4$ sensitivity improvement to the dark matter-nucleon scattering cross-section at $2.5$ GeV/c$^2$, and a factor of $\sim1.6$ increase in the solar $^8$B neutrino detection rate. Dropping the S1 requirement may allow sensitivity gains of two orders of magnitude in both cases. Finally, we apply these techniques to even lower masses by taking into account the atomic Migdal effect; this could lower the dark matter particle mass threshold to $80$ MeV/c$^2$.

Akerib, DS↗
DOE OSTI2014

Measurements of radiation effects on a 4 Mb PSRAM memory

The results of a static test of total ionizing dose (TID) effects on an ISSI 4Mb PSRAM memory are reported in this work. The irradiation was performed at the IEAv’s Laboratory of Ionizing Radiation with 1.17 and 1.32 MeV gamma-rays from a {sup 60}Co source at a dose rate of 2.5 krad/h up to an accumulated dose of 215.7 krad. The TID threshold for bit flip found in this experiment was 52.5 krad. From a sampling of 4096 memory addresses it was estimated a bit flip rate of approximately 50% at an accumulated dose of 215.7 krad.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Transient work function gating: A new photoemission regime

We present the theoretical basis for a new photoemission regime, transient work function gating (TWFG), which temporally and energetically gates photoemission and produces near-threshold photoelectrons with thermally limited emittance, percent-level quantum efficiency, and control over temporal coherence. The technique consists of actively gating the work function of a generalized photocathode using a non-ionizing long-wavelength optical field to produce an adiabatic modulation of the carrier density at their surface. We examine TWFG as a means to circumvent the long-standing trade-off between low emittance and high quantum efficiency, untethered to particle source or photocathode specifics. TWFG promises new opportunities in photoemission physics for next generation electron and accelerator-based x-ray photon sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Search for dark matter annual modulation with DarkSide-50

Dark matter may induce an event in an Earth-based detector, and its event rate is predicted to show an annual modulation as a result of the Earth’s orbital motion around the Sun. We searched for this modulation signature using the ionization signal of the DarkSide-50 liquid argon time projection chamber. No significant signature compatible with dark matter is observed in the electron recoil equivalent energy range above 40 eV ee , the lowest threshold ever achieved in such a search. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

True Breakdown Voltage and Overvoltage Margin of GaN Power HEMTs in Hard Switching

This work studies the dynamic breakdown voltage (BV) and overvoltage margin of a 650-V-rated commercial GaN power HEMT in hard switching. The dynamic BV measured in the hard switching circuits is over 1.4 kV, being 450 V higher than the static BV measured in the quasi-static I-V sweep. The device can survive at least 1 million hard-switching overvoltage pulses with 1.33 kV peak overvoltage (~95% dynamic BV). Recoverable device parametric shifts are observed after the 1-million pulses, featuring small reductions in threshold voltage and on-resistance. These shifts are different from the ones after the hard-switching pulses without overvoltage and are attributable to the trapping of the holes produced in impact ionization. Furthermore, these results suggest that the BV and overvoltage margin of GaN HEMTs in practical power switching can be significantly underestimated using the static BV. Index Terms— GaN, HEMT, power electronics, hard switching, breakdown voltage, overvoltage, ruggedness, reliability.

42 ENGINEERING↗
DOE OSTI2018

Direct detection of MeV-scale dark matter utilizing germanium internal amplification for the charge created by the ionization of impurities

Light, MeV-scale dark matter (DM) is an exciting DM candidate that is undetectable by current experiments. A germanium (Ge) detector utilizing internal charge amplification for the charge carriers created by the ionization of impurities is a promising new technology with experimental sensitivity for detecting MeV-scale DM. We analyze the physics mechanisms of the signal formation, charge creation, charge internal amplification, and the projected sensitivity for directly detecting MeV-scale DM particles. We present a design for a novel Ge detector at helium temperature (~4 K) enabling ionization of impurities from DM impacts. With large localized E-fields, the ionized excitations can be accelerated to kinetic energies larger than the Ge bandgap at which point they can create additional electron–hole pairs, producing intrinsic amplification to achieve an ultra-low energy threshold of ~0.1 eV for detecting low-mass DM particles in the MeV scale. Correspondingly, such a Ge detector with 1 kg-year exposure will have high sensitivity to a DM-nucleon cross section of ~5 × 10 -45 cm 2 at a DM mass of ~10 MeV/c 2 and a DM-electron cross section of ~ 5 × 10 -46 cm 2 at a DM mass of 1 MeV/c 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Probability Density Function for the spatial and intensity distribution of neutron-induced defects in Silicon

The ability to model semiconductor device degradation under neutron irradiation depends upon having a robust modeling capability for the neutron-induced collision cascades as well as a means to analytically fit the resulting probability distributions of defect production and ionizing energy deposition for purposes of extrapolation to low-probability, high-consequence scenarios. In this paper, the widely-utilized binary collision approximation codes MARLOWE and SRIM are deployed in conjunction with a critical examination of their parameterizations as benchmarked against higher-fidelity molecular dynamics simulations. A simple 3-parameter form described by the Generalized Logistic Distribution is shown to be a good fit to Frenkel pair and ionization intensity distributions in bulk silicon. The BCA codes are then applied to simulate cascades in 5 nm layers of a representative gate-all-around nanosheet transistor, where joint probability distributions of threshold levels of damage to multiple layers are evaluated.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A BrachyPhantom for verification of dose calculation of HDR brachytherapy planning system

Purpose: To develop a calibration phantom for {sup 192}Ir high dose rate (HDR) brachytherapy units that renders possible the direct measurement of absorbed dose to water and verification of treatment planning system.Methods: A phantom, herein designated BrachyPhantom, consists of a Solid Water™ 8-cm high cylinder with a diameter of 14 cm cavity in its axis that allows the positioning of an A1SL ionization chamber with its reference measuring point at the midheight of the cylinder's axis. Inside the BrachyPhantom, at a 3-cm radial distance from the chamber's reference measuring point, there is a circular channel connected to a cylindrical-guide cavity that allows the insertion of a 6-French flexible plastic catheter from the BrachyPhantom surface. The PENELOPE Monte Carlo code was used to calculate a factor, P{sub sw}{sup lw}, to correct the reading of the ionization chamber to a full scatter condition in liquid water. The verification of dose calculation of a HDR brachytherapy treatment planning system was performed by inserting a catheter with a dummy source in the phantom channel and scanning it with a CT. The CT scan was then transferred to the HDR computer program in which a multiple treatment plan was programmed to deliver a total dose of 150 cGy to the ionization chamber. The instrument reading was then converted to absorbed dose to water using the N{sub gas} formalism and the P{sub sw}{sup lw} factor. Likewise, the absorbed dose to water was calculated using the source strength, S{sub k}, values provided by 15 institutions visited in this work.Results: A value of 1.020 (0.09%, k= 2) was found for P{sub sw}{sup lw}. The expanded uncertainty in the absorbed dose assessed with the BrachyPhantom was found to be 2.12% (k= 1). To an associated S{sub k} of 27.8 cGy m{sup 2} h{sup −1}, the total irradiation time to deliver 150 cGy to the ionization chamber point of reference was 161.0 s. The deviation between the absorbed doses to water assessed with the BrachyPhantom and those calculated by the treatment plans and using the S{sub k} values did not exceed ±3% and ±1.6%, respectively.Conclusions: The BrachyPhantom may be conveniently used for quality assurance and/or verification of HDR planning system with a priori threshold level to spot problems of 2% and ±3%, respectively, and in the long run save time for the medical physicist.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗