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Results for “Ionization activation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Low-dose high-resolution $\mathrm{TOF}$-$\mathrm{PET}$ using ionization-activated multi-state low-$\mathrm{Z}$ detector media

We propose PET scanners using low atomic number media that undergo a persistent local change of state along the paths of the Compton recoil electrons. Measurement of the individual scattering locations and angles, deposited energies, and recoil electron directions allows using the kinematical constraints of the 2-body Compton scattering process to perform a statistical time-ordering of the scatterings, with a high probability of precisely identifying where the gamma first interacted in the detector. In these cases the Line-of-Response is measured with high resolution, determined by the underlying physics processes and not the detector segmentation. There are multiple such media that act through different mechanisms. As an example in which the change of state is quantum-mechanical through a change in molecular configuration, rather than thermodynamic, as in a bubble chamber, we present simulations of a two-state photoswitchable organic dye, a ‘Switchillator’, that is activated to a fluorescent-capable state by the ionization of the recoil electrons. The activated state is persistent, and can be optically excited multiple times to image individual activated molecules. Energy resolution is provided by counting the activated molecules. Location along the LOR is implemented by large-area time-of-flight MCP-PMT photodetectors with single photon time resolution in the tens of ps and sub-mm spatial resolution. Simulations indicate a large reduction of dose.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

The impact of environmental effects on active galactic nuclei: A decline in the incidence of ionized outflows

Active galactic nuclei (AGNs) have generally been considered to be less frequent in denser environments due to a lower number of galaxy-galaxy interactions and/or the removal of their gas-rich reservoirs by the dense intergalactic medium. However, recent observational and theoretical works suggest that the effect of ram-pressure stripping acting on galaxies in dense environments might reduce the angular momentum of their gas, causing it to infall towards the super massive black hole at their centre, activating the AGN phase. In this work we explore the connection between environment and nuclear activity by evaluating the variation in the incidence of ionized outflows, a common phenomenon associated with nuclear activity, in AGNs across different environments. We select a sample of approximately 3300 optical AGNs from the Sloan Digital Sky Survey Data Release 13, which we match with a group catalogue to identify galaxies in isolation or residing in groups. We further probe their environments through the projected distance to the central galaxy of the group or cluster and the projected surface density to the fifth neighbour (δ 5 ). The presence of ionized outflows is determined through the modelling of the [O III] λ5007 emission line. We find that at lower masses (< 10 10.3 M ⊙ ), the fraction of ionized outflows is significantly lower in satellite AGNs (~7%) than in isolated (~22%) AGNs, probably due to their different AGN luminosity, L [O III] , in this stellar mass range. The fraction of outflows decreases at distances closer to the central galaxy of the group or cluster for all satellite AGNs; however, only the lower-mass ones (10 9 - 10 10.3 M ⊙ ) display a significant decline with δ 5 . Although this study does not include AGNs in the densest regions of galaxy clusters, our findings suggest that AGNs in dense environments accrete less gas than those in the field, potentially due to the removal of the gas reservoirs via stripping or starvation, leading to a negative connection between environment and AGN activity. Based on our results, we propose that the observed change in the incidence of outflows when moving towards denser regions of groups and clusters could contribute to the higher gas metallicities of cluster galaxies compared to field galaxies, especially at lower masses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Operating in a deep underground facility improves the locking of gradiometric fluxonium qubits at the sweet spots

We demonstrate flux-bias locking and operation of a gradiometric fluxonium artificial atom using two symmetric granular aluminum (grAl) loops to implement the superinductor. The gradiometric fluxonium shows two orders of magnitude suppression of sensitivity to homogeneous magnetic fields, which can be an asset for hybrid quantum systems requiring strong magnetic field biasing. By cooling down the device in an external magnetic field while crossing the metal-to-superconductor transition, the gradiometric fluxonium can be locked either at 0 or Φ 0 /2 effective flux bias, corresponding to an even or odd number of trapped fluxons, respectively. At mK temperatures, the fluxon parity prepared during initialization survives to magnetic field bias exceeding 100 Φ 0 ⁠. However, even for states biased in the vicinity of 1 Φ 0 ⁠, we observe unexpectedly short fluxon lifetimes of a few hours, which cannot be explained by thermal or quantum phase slips. When operating in a deep-underground cryostat of the Gran Sasso laboratory, the fluxon lifetimes increase to days, indicating that ionizing events activate phase slips in the grAl superinductor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Electron energy distributions in the extended gas nebulae associated with high-z AGN: Maxwell–Boltzmann versus κ distributions

ABSTRACT Emission line observations together with photoionization models provide important information about the ionization mechanisms, densities, temperatures, and metallicities in active galactic nuclei (AGN)-ionized gas. Photoionization models usually assume Maxwell–Boltzmann (M–B) electron energy distributions (EED), but it has been suggested that using κ distributions may be more appropriate and could potentially solve the discrepancies in temperatures and abundances found in HII regions and planetary nebulae. We consider the impact of the presence of κ distributions in photoionized nebulae associated with AGN and study how this might affect spectral modelling and abundance analyses for such regions. Using the photoionization code MAPPINGS 1e, we compute models adopting M–B and κ distributions of electron energies and compare the behaviour of emission line ratios for different values of κ, gas metallicity, density, ionization parameter, and SED slope. We find that the choice of EED can have a large impact on some UV and optical emission lines emitted by photoionized nebulae associated with AGN, and that the impact of adopting a κ distribution is strongly dependent on gas metallicity and ionization parameter. We compile a sample of line ratios for 143 type 2 AGN and compare our models against the observed line ratios. We find that for 98 objects, κ distributions provide a better fit to the observed line ratios than M–B distributions. In addition, we find that adopting κ-distributed electron energies results in significant changes in the inferred gas metallicity and ionization parameter in a significant fraction of objects.

Morais, S. G. (ORCID:0000000200927813)↗
DOE OSTI2021

Large binocular telescope observations of new six compact star-forming galaxies with [Ne v ] λ3426 Å emission

ABSTRACT We report the discovery of [Ne v] λ3426 emission, in addition to He ii λ4686 emission, in six compact star-forming galaxies. These observations considerably increase the sample of eight such galaxies discovered earlier by our group. For four of the new galaxies, the optical observations are supplemented by near-infrared spectra. All galaxies, but one, have H ii regions that are dense, with electron number densities of ∼ 300–700 cm−3. They are all characterized by high H β equivalent widths EW(H β) ∼ 190–520 Å and high O32 = [O iii] λ5007/[O ii] λ3727 ratios of 10–30, indicating young starburst ages and the presence of high ionization radiation. All are low-metallicity objects with 12 + logO/H = 7.46–7.88. The spectra of all galaxies show a low-intensity broad component of the H α line and five of six objects show Wolf–Rayet features. Comparison with photoionization models shows that pure stellar ionization radiation from massive stars is not hard enough to produce such strong [Ne v] and He ii emission in our galaxies. The [Ne v] λ3426/He ii λ4686 flux ratio of ∼1.2 in J1222+3602 is consistent with some contribution of active galactic nucleus ionizing radiation. However, in the remaining five galaxies, this ratio is considerably lower, $\lesssim$ 0.4. The most plausible models are likely to be non-uniform in density, where He ii and [Ne v] lines are emitted in low-density channels made by outflows and illuminated by harder ionizing radiation from radiative shocks propagating through these channels, whereas [O iii] emission originates in denser regions exposed to softer stellar ionizing sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Correcting beam space charge effects in Active-Target Time Projection Chamber

By providing a large gaseous volume for nuclear interactions while simultaneously recording the tracks of resulting reaction products, an active target serves as both a thick target and a detector. Once a reaction occurs, the emitted charged fragments strip electrons from the target gas along their path as they transverse the detector. Collection of these stripped electrons allow for detection of the product tracks. As beam intensity increases, the resulting ionization in the active target can significantly distort this collection of electrons. If left uncorrected, the resulting measurements could be wrong. In this paper, we investigate the impact of the space charge produced by heavy radioactive beams within the Active Target - Time Projection Chamber at Michigan State University. The beams are injected parallel to the electric field of the time projection chamber which is operated without a magnetic field for this experiment. Furthermore, we analyze the rate dependence of the space charge effects and demonstrate that they can be modeled and effectively corrected.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Active Humidity Control Chamber for Desorption Electrospray Ionization-Mass Spectrometry Imaging Applications

Ambient ionization techniques enable mass spectrometry (MS) to expand into broader experimental contexts, although it is increasingly clear that results are influenced by the environmental conditions at the site of sampling. Desorption electrospray ionization (DESI), in particular, is affected by variations in relative humidity (RH) levels. Here we describe the design, development, and construction of an environmental control chassis that can actively modulate RH within ± 3% of user-defined set points across a broad humidity range (15%–70% RH). Preliminary characterization demonstrated differential analyte responses across a range of set points, with observed enhancement of leucine-enkephalin, sulfadimethoxine (negative mode), and maltose (positive mode) in response to increased humidity. The measurable differences in analyte signals across discrete humidity set points underscore the importance of environmental control in ambient ionization strategies. The humidity control system outlined here can be translated to other DESI platforms, with construction information provided herein.

DESI↗
DOE OSTI2025

Chemical templates of the Central Molecular Zone

Context . The Central Molecular Zone (CMZ) of the Milky Way exhibits extreme conditions, including high gas densities, elevated temperatures, enhanced cosmic-ray ionization rates, and large-scale dynamics. This makes it a perfect laboratory for astrochemical studies. With large-scale molecular surveys revealing increasing chemical and physical complexity in the CMZ, it is essential to develop robust methods to decode the chemical information embedded in this extreme region. Aims . A key step to interpreting the molecular richness found in the CMZ is building chemical templates tailored to its diverse conditions. In particular, understanding how CMZ environments affect shock and protostellar chemistry is crucial. The combined impact of high ionization, elevated temperatures, and dense gas remains insufficiently explored for observable tracers. Methods . For this study, we utilized UCLCHEM , a gas-grain time-dependent chemical model, to link physical conditions with their corresponding molecular signatures and identify key tracers of temperature, density, ionization, and shock activity. To achieve this, we ran a grid of models of shocks and protostellar objects representative of typical CMZ conditions, focusing on 24 species, including complex organic molecules. Results . Shocked and protostellar environments show distinct evolutionary timescales (≲10 4 vs. ≳10 4 years); 300 K emerges as a key temperature threshold for chemical differentiation. We find that cosmic-ray ionization and temperature are the main drivers of chemical trends. HCO + , H 2 CO, and CH 3 SH trace ionization, while HCO, HCO + , CH 3 SH, CH 3 NCO, and HCOOCH 3 show consistent abundance contrasts between shocks and protostellar regions over similar temperature ranges. Conclusions . We characterized the behavior of 24 species in protostellar and shock-related environments. While our models underpredict some complex organics in shocks, they reproduce observed trends for most species, supporting scenarios involving a need for recurring shocks in Galactic Center clouds and enhanced ionization toward Sgr B2(N2). Future work should assess the role of shock recurrence and metallicity in shaping chemistry.

Galaxy: center↗
DOE OSTI2022

Reanalysis of c-type RR Lyrae variable BE Dor, period modulations and possible mechanism

ABSTRACT We reanalysed the c-type RR Lyrae star BE Dor (MACHO 5.4644.8, OGLE-LMC-RRLYR-06002) that had been discovered to show cyclic period changes. The photometric data of several sky surveys (DASCH, MACHO, OGLE, ASAS-SN, and TESS) were used for analyses. The O − C diagram and pulsation period obtained from Fourier analysis show significant period modulations in BE Dor. However, different from the previous viewpoint, the changes are quasi-periodic and abrupt. Therefore, the light-traveltime effect caused by the companion motion cannot explain the changes. Noting a same subtype star KIC 9453114 with similar phenomena has a high macroturbulent velocity, and the degree of O − C changes seem to be positively correlated with these velocities, we consider that the mechanism leading to period modulation should be caused by the interaction between turbulent convection and magnetic field activity in the ionization zone, i.e. the viewpoint of Stothers. It may not explain the general Blazhko effect but should explain such period modulations in BE Dor and those other c-type RR Lyrae stars. We hope our discoveries and viewpoints can provide some information and inspiration for relevant research.

Li, L-J↗
DOE OSTI2021

Anomalous interfacial dynamics of single proton charges in binary aqueous solutions

Our understanding of the dynamics of charge transfer between solid surfaces and liquid electrolytes has been hampered by the difficulties in obtaining interface, charge, and solvent-specific information at both high spatial and temporal resolution. Here, we measure at the single charge scale the dynamics of protons at the interface between an hBN crystal and binary mixtures of water and organic amphiphilic solvents (alcohols and acetone), evidencing a marked influence of solvation on interfacial dynamics. Applying single-molecule localization microscopy to emissive crystal defects, we observe correlated activation between adjacent ionizable surface defects, mediated by the transport of single excess protons along the solid/liquid interface. Solvent content has a nontrivial effect on interfacial dynamics, leading at intermediate water fraction to an increased surface diffusivity, as well as an increased affinity of the proton charges to the solid surface. Our measurements evidence the notable role of solvation on interfacial proton charge transport.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Delving into the depths of NGC 3783 with XRISM

We present our study of the X-Ray Imaging and Spectroscopy Mission (XRISM) observation of the Seyfert-1 galaxy NGC 3783. XRISM’s Resolve microcalorimeter has enabled, for the first time, a detailed characterization of the highly ionized outflows in this active galactic nucleus. Our analysis constrains their outflow and turbulent velocities, along with their ionization parameter (ξ) and column density (N H ). The high-resolution Resolve spectrum reveals a distinct series of Fe absorption lines between 6.4 and 7.8 keV, ranging from Fe XVIII to Fe XXVI. At lower energies (1.8−3.3 keV), absorption features from Si, S, and Ar are also detected. Our spectroscopy and photoionization modeling of the time-averaged Resolve spectrum uncovers six outflow components, five of which exhibit relatively narrow absorption lines with outflow velocities ranging from 560 to 1170 km s −1 . In addition, a broad absorption feature is detected, which is consistent with Fe XXVI outflowing at 14 300 km s −1 (0.05 c). The kinetic luminosity of this component is 0.8−3% of the bolometric luminosity. Our analysis of the Resolve spectrum shows that more highly ionized absorption lines are intrinsically broader than those of lower-ionization species, indicating that the turbulent velocity of the six outflow components (ranging from 0 to 3500 km s −1 ) increases with ξ. Furthermore, we find that the column density (N H ) of the outflows generally declines with the ionization parameter up to log ξ = 3.2 but rises beyond this point, suggesting a complex ionization structure. The absorption profile of the Fe XXV resonance line is intriguingly similar to UV absorption lines (Lyα and C IV) observed by the Hubble Space Telescope, from which we infer that the outflows are clumpy in nature. Our XRISM/Resolve results from lower- and higher-ionization regimes support a “hybrid wind” scenario in which the observed outflows have multiple origins and driving mechanisms. We explore various interpretations of our findings within active galactic nucleus wind models.

X-rays: galaxies↗
DOE OSTI2023

Fading AGNs in Poststarburst Galaxies

The role of active galactic nuclei (AGNs) in quenching galaxies and driving the evolution from star forming to quiescence remains a key question in galaxy evolution. We present evidence from the Mapping Nearby Galaxies at APO survey for fading AGN activity in 6/93 poststarburst galaxies. These six galaxies show extended emission line regions (EELRs) consistent with ionization from past AGN activity, analogous to "Hanny's Voorwerp" and other systems where the [O III] λ5007 emission is bright enough to be visible in broadband imaging. Using the infrared luminosities from IRAS to estimate the current AGN luminosities, we find that 5/6 of the poststarburst galaxies have current AGNs which have faded from the peak luminosity required to have ionized the EELRs. Given the rate at which we observe EELRs, the typical EELR visibility timescale, and an estimate of how often EELRs would be visible, we estimate the duty cycle of AGN activity during the poststarburst phase. The timescale for the galaxy to cycle between peaks in AGN luminosity is t EELR ~ 1.1–2.3 × 10 5 yr. Given the rate at which we observe current AGN activity during this phase, we estimate that the AGN spends only 5.3% of this time (or t ON = 0.6–1.3 × 10 4 yr) in its luminous phase, with the rest of the time spent "off" or in a low-luminosity phase. The length of this duty cycle may explain why so few luminous AGNs have been observed during the poststarburst phase, despite evidence for AGN feedback at work.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

XRISM Finds the Changing-look Active Galactic Nucleus NGC 1365 in an Extended Low State: A Dense, Highly Ionized Outflow Obscures the Central Source

We present the first XRISM/Resolve observations of the active galactic nucleus NGC 1365, obtained in 2024 February and July. NGC 1365 is known for rapid transitions between Compton-thick and Compton-thin states, along with strong absorption from a highly ionized wind. During our observations, the source was found in a persistent low-flux state, characterized by a decrease in hard-X-ray luminosity and significant line-of-sight obscuration. In this state, XRISM/Resolve reveals clear Fe XXV and Fe XXVI absorption lines together with, for the first time in this source, corresponding emission lines. These features may arise either from reemission from a photoionized wind (P Cygni profile) or from collisionally ionized gas associated with outflow-driven shocks in the interstellar medium. We estimate the wind launch radius to be approximately 10 16 cm (∼10 4 R g ), consistent with the location of the X-ray broadline region. We also resolve a broadened Fe Kα line by σ ∼ 1300 km s −1 , placing it at similar scales to the wind, consistent with radii inferred from disk-broadening models and the variability of the Fe Kα broad line. The similarity of the Fe Kα profile to the Hβ wing and broad Paα width indicates that the X-ray-emitting region is likely cospatial with the optical/infrared broadline region and originates from the same gas.

Astronomy and AstroPhysics↗
DOE OSTI2022

A deep, multi-epoch Chandra HETG study of the ionized outflow from NGC 4051

Actively accreting supermassive black holes significantly impact the evolution of their host galaxies, truncating further star formation by expelling large fractions of gas with wide-angle outflows. The X-ray band is key to understanding how these black hole winds affect their environment, as the outflows have high temperatures ~10 5–8 K). We have developed a Bayesian framework for characterizing active galactic nucleus outflows with an improved ability to explore parameter space and perform robust model selection. We applied this framework to a new 700 ks and an archival 315 ks Chandra High Energy Transmission Gratings observation of the Seyfert galaxy NGC 4051. We have detected six absorbers intrinsic to NGC 4051. These wind components span velocities from 400 to 30000 km s -1 . We have determined that the most statistically significant wind component is purely collisionally ionized, which is the first detection of such an absorber. This wind has T ≈ 10 7 K and v ≈ 880 km s -1 and remains remarkably stable between the two epochs. Other slow components also remain stable across time. Fast outflow components change their properties between 2008 and 2016, suggesting either physical changes or clouds moving in and out of the line of sight. For one of the fast components, we obtain one of the tightest wind density measurements to date, log n/(cm -3 ) = 13.0$^{+0.01}_{-0.02}$, and determine that it is located at ~240 gravitational radii. The estimated total outflow power surpasses 5 percent of the bolometric luminosity (albeit with large uncertainties) making it important in the context of galaxy–black hole interactions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Mutation of active site glutamate in serine hydroxymethyltransferase allows trapping a reactive intermediate: a combined neutron and X-ray crystallography study

Serine hydroxymethyltransferase (SHMT) is a pyridoxal-5′-phosphate (PLP) dependent enzyme that catalyzes a chemical transformation essential for the one-carbon (1C) metabolism. SHMT reversibly converts L-Ser into Gly and transfers a 1C unit to tetrahydrofolate (THF) to give 5,10-methylene-THF (5,10-MTHF). 5,10-MTHF, a 1C-unit donor, plays a crucial role in the downstream biomolecular syntheses required for the cell homeostasis and proliferation. SHMT is a prominent target for the drug discovery to battle bacterial and parasitic infections, and to treat various types of cancer. SHMT-catalyzed chemistry is governed by the general acid-base catalysis. Knowledge of the catalytic mechanism can aid drug design but can only be achieved when the atomic details of each reaction step are mapped, including accurate determination of hydrogen atom positions. Here we utilized the inactive E53Q mutant of Thermus thermophilus ( Tth ) SHMT to directly determine protonation states with room-temperature neutron crystallography and to capture a reactive intermediate containing the PLP-L-Ser external aldimine and THF in the enzyme active site. We observed protonation of the Schiff base nitrogen (N SB ) in the PLP internal aldimine but no change in the protonation states of other ionizable PLP groups and active site residues compared to wild-type Tth SHMT. X-ray structural analysis of the ternary intermediate complex E53Q-Ser-THF that eluded previous structural characterization shows the strategic positioning of the E53Q side chain in close proximity to the external aldimine and THF and reinforces the proposed role for E53 as the driver of proton transfer events along the reaction pathway.

Drago, Victoria N. [Oak Ridge National Laboratory ↗
DOE OSTI2025

Discrepancies between Theory and Experiment in Determining the Ionization Energy of NF 3

High-accuracy ab initio thermochemical predictions for the ionization energy of NF 3 , the barrier height (to inversion) of NF 3 + , and the dissociative ionization threshold of NF 3 to NF 2 + + F are presented and incorporated into Active Thermochemical Tables. The adiabatic ionization energy of the first ionization band of NF 3 , calculated at 12.647 ± 0.010 eV, is at odds with previous experimental interpretations by nearly 0.36 eV due to unfavorable Franck-Condon factors associated with this transition. The barrier (to inversion) height is calculated to be about 0.6 eV lower in energy than the prior interpretation, which instigates a discussion of the supposed vibrational structure of the first ionization band of NF 3 . Updated assignments of the photoelectron spectrum are proposed, and the loss in vibrational spacing on the high-energy side of the experimental ionization band is discussed. Rudimentary anharmonic Franck-Condon simulations qualitatively reproduce the broad spectral features observed in experiment.

Active Thermochemical Tables↗