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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Two-photon above-threshold ionization of helium

Multiphoton ionization provides a clear window into the nature of electron correlations in the helium atom. In the present study, the final-state energy range extends up to the region near the N = 2 and N = 3 ionization thresholds, where two-photon ionization proceeds via continuum intermediate states above the lowest threshold. Our calculations are performed using multichannel quantum defect theory (MQDT) and the streamlined R-matrix method. The sum and integration over all intermediate states in the two-photon ionization amplitude is evaluated using the inhomogeneous R-matrix method developed by Robicheaux and Gao. The seamless connection of that method with MQDT allows us to present high-resolution spectra of the final-state Rydberg resonances. Our analysis classifies the resonances above the N = 2 threshold in terms of their group theory quantum numbers. Furthermore, their dominant decay channels are found to obey the previously conjectured propensity rule far more weakly for these even-parity states than was observed for the odd-parity states relevant to single-photon ionization.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Modeling the gain of inner-shell X-ray laser transitions in neon, argon, and copper driven by X-ray free electron laser radiation using photo-ionization and photo-excitation processes

Using an X-ray free electron laser (XFEL) at 960 eV to photo-ionize the 1s electron in neutral neon followed by lasing on the 2p-1s transition in singly-ionized neon, an inner-shell X-ray laser was demonstrated at 849 eV in singly-ionized neon gas several years ago. It took decades to demonstrate this scheme, because it required a very strong X-ray source that could photo-ionize the 1s (K shell) electron in neon on a timescale comparable to the intrinsic Auger lifetime in neon of 2 fs. In this paper, we model the neon inner shell X-ray laser under similar conditions to those used in the XFEL experiments at the SLAC Linac Coherent Light Source (LCLS), and show how we can improve the efficiency of the neon laser and reduce the drive requirements by tuning the XFEL to the 1s-3p transition in neutral neon in order to create gain on the 2p-1s line in neutral neon. We also show how the XFEL could be used to photo-ionize L-shell electrons to drive gain on n = 3–2 transitions in singly-ionized Ar and Cu plasmas. These bright, coherent, and monochromatic X-ray lasers may prove very useful for doing high-resolution spectroscopy and for studying non-linear process in the X-ray regime.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hetero-site Double Core Ionization Energies with Sub-electronvolt Accuracy from Delta-Coupled-Cluster Calculations

Benchmark scalar-relativistic delta-coupled-cluster calculations of hetero-site double core ionization energies of small molecules containing second-row elements are reported. The present study has focused on the high-spin triplet components of two-site double core-ionized states, which are single reference in character and consistent with the use of standard coupledcluster methods. Contributions to computed double core ionization energies from electron-correlation and basis-set effects as well as corrections to the core-valence separation approximation have been analyzed. Furthermore, on the basis of systematic convergence of computational results with respect to these effects, delta-coupled-cluster calculations have been shown to be capable of providing accurate double core ionization energies with remaining errors estimated to be below 0.3 eV, and thus they are recommended for use to facilitate experimental studies of two-site double core-ionized states that are involved in X-ray pump/X-ray probe studies of electronic and molecular dynamics following inner shell ionization or excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Role of Transition Metals in Metal–Organic Frameworks as Nanoporous Ion Emitters for Thermal Ionization Mass Spectrometry

Thermal ionization mass spectroscopy (TIMS) is a powerful analytical technique that allows for precise determination of isotopic ratios. Analysis on low abundance samples, however, can be limited by the ionization efficiency. Following an investigation into a new type of metal-organic hybrid material devised to promote the emission of analyte ions (nano-PIES) and reduce traditional sample loading problems, this work probes the impact that changing the metal in the material has on the ionization of Uranium-238. Being derived from metal-organic frameworks (MOFs), nano-PIEs inherit the tunability of the parent MOFs; the MOF-74 series has been well studied for probing the impact various framework metals (i.e., Mg, Mn, Co, Ni, Cu, Zn, and Cd) have on material properties, and thus, a series of nano-PIEs with different metals were derived from an isoreticular MOF-74 series. In conclusion, trends in ionization efficiency were studied as a function of ionization potential, volatility, and work function of the framework metals as well as the mechanism of ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Dynamics of ionization-induced electron injection in the high density regime of laser wakefield acceleration

The dynamics of ionization-induced electron injection in high density (∼1.2 × 10{sup 19} cm{sup −3}) regime of laser wakefield acceleration is investigated by analyzing the betatron X-ray emission. In such high density operation, the laser normalized vector potential exceeds the injection-thresholds of both ionization-injection and self-injection due to self-focusing. In this regime, direct experimental evidence of early on-set of ionization-induced injection into the plasma wave is given by mapping the X-ray emission zone inside the plasma. Particle-In-Cell simulations show that this early on-set of ionization-induced injection, due to its lower trapping threshold, suppresses the trapping of self-injected electrons. A comparative study of the electron and X-ray properties is performed for both self-injection and ionization-induced injection. An increase of X-ray fluence by at least a factor of two is observed in the case of ionization-induced injection due to increased trapped charge compared to self-injection mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Ionization and photofragmentation of Ru{sub 3}(CO){sub 12} and Os{sub 3}(CO){sub 12}

In this paper, we use a combination of photoelectron spectroscopy, mass spectrometry, and density functional theory calculations to get a detailed understanding of valence single and double ionization and the subsequent dissociation processes. This is exemplified on benchmark systems, trimetallo-dodecacarbonyls M{sub 3}(CO){sub 12} with M = Ru, Os, where the energy remaining in the molecule after photoionization can be retrieved by measuring the degree of fragmentation of the molecular ion. The intensity of different mass peaks can thus be directly related to ionization cross sections obtained by photoelectron spectroscopy. We find that the M—CO dissociation energy rises as the number of CO ligands decreases due to dissociation. Moreover, ionization of the CO ligands has a higher cross section than that of the metal center for both single and double ionization. After advanced fragmentation, a CO bond can break and the carbon atom remains bonded to the metal core. In addition, we found that the valence ionization cross sections of M{sub 3}(CO){sub 12} are maximal at about 40 eV photon energy thus showing a more pronounced shape resonance than Ru and Os-complexes with a single metal atom center. Finally, an np → nd giant resonance absorption causes a significant increase of the ionization cross section above 50 eV for Ru{sub 3}(CO){sub 12}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Laser frequency upconversion in plasmas with finite ionization rates

Laser frequency can be upconverted in a plasma undergoing ionization. For finite ionization rates, the laser pulse energy is partitioned into a pair of counterpropagating waves and static transverse currents. The wave amplitudes are determined by the ionization rates and the input pulse duration. The strongest output waves can be obtained when the plasma is fully ionized in a time that is shorter than the pulse duration. The static transverse current can induce a static magnetic field with instant ionization, but it dissipates as heat if the ionization time is longer than a few laser periods. As a result, this picture comports with experimental data, providing a description of both laser frequency upconverters and other laser-plasma interaction with evolving plasma densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

NGC 1365: A low column density state unveiling a low ionization disk wind

We present the time-resolved spectral analysis of the XMM-Newton data of NGC 1365 collected during one XMM-Newton observation, which caught this 'changing-look' active galactic nucleus in a high flux state characterized also by a low column density (N {sub H} ∼ 10{sup 22} cm{sup –2}) of the X-ray absorber. During this observation, the low-energy photoelectric cut-off is at about ∼1 keV and the primary continuum can be investigated with the XMM-Newton-RGS data, which show strong spectral variability that can be explained as a variable low N {sub H} that decreased from N {sub H} ∼ 10{sup 23} cm{sup –2} to 10{sup 22} cm{sup –2} in a 100 ks timescale. The spectral analysis of the last segment of the observation revealed the presence of several absorption features that can be associated with an ionized (log ξ ∼ 2 erg cm s{sup –1}) outflowing wind (v {sub out} ∼ 2000 km s{sup –1}). We detected for the first time a possible P-Cygni profile of the Mg XII Lyα line associated with this mildly ionized absorber indicative of a wide angle outflowing wind. We suggest that this wind is a low ionization zone of the highly ionized wind present in NGC 1365, which is responsible for the iron K absorption lines and is located within the variable X-ray absorber. At the end of the observation, we detected a strong absorption line at E ∼ 0.76 keV most likely associated with a lower ionization zone of the absorber (log ξ ∼ 0.2 erg cm s{sup –1}, N {sub H} ∼ 10{sup 22} cm{sup –2}), which suggests that the variable absorber in NGC 1365 could be a low ionization zone of the disk wind.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

INDIRECT EVIDENCE FOR ESCAPING IONIZING PHOTONS IN LOCAL LYMAN BREAK GALAXY ANALOGS

A population of early star-forming galaxies is the leading candidate for the re-ionization of the universe. It is still unclear, however, what conditions and physical processes would enable a significant fraction of the ionizing (Lyman continuum) photons to escape from these gas-rich galaxies. In this paper we present the results of the analysis of Hubble Space Telescope Cosmic Origins Spectrograph far-UV (FUV) spectroscopy plus ancillary multi-waveband data of a sample of 22 low-redshift galaxies that are good analogs to typical star-forming galaxies at high redshift. We measure three parameters that provide indirect evidence of the escape of ionizing radiation (leakiness): (1) the residual intensity in the cores of saturated interstellar low-ionization absorption lines, which indicates incomplete covering by that gas in the galaxy; (2) the relative amount of blueshifted Lyα line emission, which can indicate the existence of holes in the neutral hydrogen on the front-side of the galaxy outflow, and (3) the relative weakness of the [S ii] optical emission lines that trace matter-bounded H ii regions. We show that our residual intensity measures are only negligibly affected by infilling from resonance emission lines. We find all three diagnostics agree well with one another. We use these diagnostics to rank-order our sample in terms of likely leakiness, noting that a direct measure of escaping Lyman continuum has recently been made for one of the leakiest members of our sample. We then examine the correlations between our ranking and other proposed diagnostics of leakiness. We find a good correlation with the equivalent width of the Lyα emission line, but no significant correlations with either the flux ratio of the [O iii]/[O ii] emission lines or the ratio of star-formation rates derived from the (dust-corrected) FUV and Hα luminosities. Turning to galaxy properties, we find the strongest correlations with leakiness are with the compactness of the star-forming region (Star formation rate/area) and the speed of the galactic outflow. This suggests that extreme feedback—a high intensity of ionizing radiation and strong pressure from both radiation and a hot galactic wind—combines to create significant holes in the neutral gas. These results not only shed new light on the physical mechanisms that can allow ionizing radiation to escape from intensely star-forming galaxies, they also provide indirect observational indicators that can be used at high redshift where direct measurements of escaping Lyman continuum radiation are impossible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Reionization after Planck: The derived growth of the cosmic ionizing emissivity now matches the growth of the galaxy UV luminosity density

Thomson optical depth τ measurements from Planck provide new insights into the reionization of the universe. In pursuit of model-independent constraints on the properties of the ionizing sources, we determine the empirical evolution of the cosmic ionizing emissivity. We use a simple two-parameter model to map out the evolution in the emissivity at z ≳ 6 from the new Planck optical depth τ measurements, from the constraints provided by quasar absorption spectra and from the prevalence of Lyα emission in z ∼ 7–8 galaxies. We find the redshift evolution in the emissivity N-dot {sub ion}(z) required by the observations to be (dlog{sub 10} N-dot {sub ion}/dz){sub z=8}=−0.15{sub −0.11}{sup +0.08} ((dlog{sub 10} N-dot {sub ion}/dz){sub z=8}=−0.19{sub −0.11}{sup +0.09} for a flat prior), largely independent of the assumed clumping factor C{sub H ii} and entirely independent of the nature of the ionizing sources. The trend in N-dot {sub ion}(z) is well-matched by the evolution of the galaxy UV-luminosity density (dlog{sub 10}ρ{sub UV}/dz=−0.11±0.04) to a magnitude limit ≳−13 mag, suggesting that galaxies are the sources that drive the reionization of the universe. The role of galaxies is further strengthened by the conversion from the UV luminosity density ρ{sub UV} to N-dot {sub ion}(z) being possible for physically plausible values of the escape fraction f{sub esc}, the Lyman-continuum photon production efficiency ξ{sub ion}, and faint-end cut-off M{sub lim} to the luminosity function. Quasars/active galactic nuclei appear to match neither the redshift evolution nor normalization of the ionizing emissivity. Based on the inferred evolution in the ionizing emissivity, we estimate that the z ∼ 10 UV-Iuminosity density is 8{sub −4}{sup +15}× lower than at z ∼ 6, consistent with the observations. The present approach of contrasting the inferred evolution of the ionizing emissivity with that of the galaxy UV luminosity density adds to the growing observational evidence that faint, star-forming galaxies drive the reionization of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Electron-impact single and double ionization of the Mn 2+ , Mn 3+ and Mn 4+ atomic ions

Electron-impact single and double ionization cross sections for Mn2+, Mn3+ and Mn4+ are calculated using a semi-relativistic configuration-average distorted-wave method. The ionization cross sections include contributions from single direct ionization, double direct ionization and excitation–autoionization. Certain excitations may contribute to both single and double ionization as determined by branching ratio calculations. For Mn2+ the ratio of the double to single ionization cross section peak heights is found to be 0.15, while dropping to 0.03 for Mn3+ and 0.01 for Mn3+.

Optics↗
DOE OSTI2017

Electron-impact single and double ionization of W

Electron-impact single and double ionization cross sections for the W atom are calculated using a semi-relativistic distorted-wave method. The cross sections include contributions from single direct ionization, double direct ionization and excitation-autoionization. Branching ratio calculations are made to determine whether an excitation may contribute to single or double ionization. We check the accuracy of the semi-relativistic distorted-wave calculations for direct ionization of various subshells by comparison with fully-relativistic distorted-wave calculations. We also check the accuracy of the perturbative distorted-wave calculations for direct ionization of the outer most subshells by comparison with non-perturbative time-dependent close-coupling calculations.

Optics↗
DOE OSTI2021

Measurement of the ionization response of amorphous selenium with 122 keV γ rays

In this work, we performed a measurement of the ionization response of 200 μm-thick amorphous selenium (aSe) layers under drift electric fields of up to 50 V/μm. The aSe target was exposed to ionizing radiation from a 57 Co radioactive source and the ionization pulses were recorded with high resolution. Using the spectral line from the photoabsorption of 122 keV γ rays, we measured the charge yield in aSe and the line width as a function of drift electric field. From a detailed microphysics simulation of charge generation and recombination in aSe, we conclude that the strong dependence of recombination on the ionization track density provides the dominant contribution to the energy resolution in aSe. These results provide valuable input to estimate the sensitivity of a proposed next-generation search for the neutrinoless ββ decay of 82 Se that aims to employ imaging sensors with an active layer of aSe. We estimate the RMS line width of the integrated ionization signal from neutrinoless ββ decay events (of deposited energy 3 MeV) to be 2.0% for a drift field of 50 V/μm. The energy resolution can be improved to 1% by correcting for the charge yield as a function of ionization density along the imaged electron tracks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

The short ionizing photon mean free path at z = 6 in Cosmic Dawn III, a new fully coupled radiation-hydrodynamical simulation of the Epoch of Reionization

ABSTRACT Recent determinations of the mean free path of ionizing photons (mfp) in the intergalactic medium (IGM) at z = 6 are lower than many theoretical predictions. In order to gain insight, we investigate the evolution of the mfp in our new massive fully coupled radiation-hydrodynamics cosmological simulation of reionization: Cosmic Dawn III (CoDa III). CoDa III’s scale ($\rm 94^3 \, cMpc^3$) and resolution ($\rm 8192^3$ grid) make it particularly suitable to study the IGM during reionization. The simulation was performed with ramses-cudaton on Summit, and used 13 1072 processors coupled to 24 576 GPUs, making it the largest reionization simulation, and largest ever ramses simulation. A superior agreement with global constraints on reionization is obtained in CoDa III over Cosmic Dawn II (CoDa II), especially for the evolution of the neutral hydrogen fraction and the cosmic photoionization rate, thanks to an improved calibration, later end of reionization (z = 5.6), and higher spatial resolution. Analysing the mfp, we find that CoDa III reproduces the most recent observations very well, from z = 6 to z = 4.6. We show that the distribution of the mfp in CoDa III is bimodal, with short (neutral) and long (ionized) mfp modes, due to the patchiness of reionization and the coexistence of neutral versus ionized regions during reionization. The neutral mode peaks at sub-kpc to kpc scales of mfp, while the ionized mode peak evolves from 0.1 Mpc h−1 at z = 7 to ∼10 Mpc h−1 at z = 5.2. Computing the mfp as the average of the ionized mode provides the best match to the recent observational determinations. The distribution reduces to a single neutral (ionized) mode at z > 13 (z < 5).

Lewis, Joseph S. W. (ORCID:0000000179178474)↗
DOE OSTI2019

Electron correlation in channel-resolved strong-field molecular double ionization

Strong-field ionization plays a fundamental role in attosecond science as the source of electron wave packets which ultimately provide attosecond bursts of radiation as they are driven back to the atom or molecule of origin. Double ionization is an important probe of electron correlation (correlated electron dynamics), which lies at the core of attosecond science. While double ionization of atoms has been studied extensively, the double ionization of molecules is relatively unexplored—particularly for the case of polyatomic systems. In this work, we present coincidence (three and four particle) velocity map imaging measurements of molecular double ionization in 1,3-cyclohexadiene and 1,4-cyclohexadiene using few cycle (~10 fs) laser pulses. Our measurements allow us to distinguish between dissociative and nondissociative double ionization, and we find a difference in the correlation of electrons that come from the different channels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Effect of the orientation of Rydberg atoms on their collisional ionization cross section

Collisional ionization between two Rydberg atoms in relative motion is examined. A classical trajectory Monte Carlo method is used to determine the cross sections associated with Penning ionization. The dependence of the ionization cross section on the magnitude and the direction of orbital angular momentum of the electrons and the direction of the Laplace-Runge-Lenz vector of the electrons is studied. For a given magnitude of angular momentum, there can exist a difference of a factor of up to ~2.5 in the ionization cross section between the orientations with the highest and the lowest ionization cross section. As a result, the case of exchange ionization is examined and its dependence on the magnitude of angular momentum is studied.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Electron ionization via dark matter-electron scattering and the Migdal effect

There are currently several existing and proposed experiments designed to probe sub-GeV dark matter (DM) using electron ionization in various materials. The projected signal rates for these experiments assume that this ionization yield arises only from DM scattering directly off electron targets, ignoring secondary ionization contributions from DM scattering off nuclear targets. We investigate the validity of this assumption and show that if sub-GeV DM couples with comparable strength to both protons and electrons, as would be the case for a dark photon mediator, the ionization signal from atomic scattering via the Migdal effect scales with the atomic number Z and 3-momentum transfer q as Z 2 q 2 . The result is that the Migdal effect is always subdominant to electron scattering when the mediator is light, but that Migdal-induced ionization can dominate over electron scattering for heavy mediators and DM masses in the hundreds of MeV range. We put these two ionization processes on identical theoretical footing, address some theoretical uncertainties in the choice of atomic wave functions used to compute rates, and discuss the implications for DM scenarios where the Migdal process dominates, including for XENON10, XENON100, and the recent XENON1T results on light DM scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Ionization waves in low-current dc discharges in noble gases obtained with a hybrid kinetic-fluid model

A hybrid kinetic-fluid model is used to study ionization waves (striations) in a low-current plasma column of dc discharges in noble gases. Coupled solutions of a kinetic equation for electrons, a drift-diffusion equation for ions, and a Poisson equation for the electric field are obtained to clarify the nature of plasma stratification in the positive column. A simplified two-level excitation-ionization model is used for the conditions when the nonlinear effects due to stepwise ionization, gas heating, and Coulomb interactions among electrons are negligible. It is confirmed that the nonlocal effects are responsible for the formation of moving striations in dc discharges at low plasma densities and low values of pR (the product of gas pressure and tube radius). Here, the calculated properties of self-excited waves of S–, P–, and R types in neon and S type in argon agree with available experimental data. The reason for helium plasma stability to stratification is clarified. It is shown that sustaining stratified plasma is more efficient than striation-free plasma when the ionization rate is a nonlinear function of the electric field. However, the nonlinear dependence of the ionization rate on the electric field is not required for plasma stratification. Striations of S–, P–, and R types in neon exist with minimal or no ionization enhancement. Effects of the column length and plasma density on the wave properties are demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗