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Nuclear Data Sheets for A=39☆

Experimental nuclear structure data from various reactions and decays have been evaluated for all known nuclides of mass 39 (Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti). Detailed evaluated nuclear structure information is presented for each reaction and decay and the best values combining all available data are recommended for level energies, half-lives, γ-ray energies and intensities, decay properties (energies, intensities and placement of radiations), and other spectroscopic data. The {sup 39}K, {sup 39}Ca and {sup 39}Ar are the most extensively studied nuclides; no excited states are known in {sup 39}Mg and {sup 39}Ti. This work supersedes the earlier full evaluation of A=39 by B. Singh and J. Cameron (2006Si02).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

General Services Administration Reclamation Yard (SWMU 010) 2020-2021 Groundwater Monitoring Report

This report presents a summary of the groundwater monitoring activities that occurred from October 2020 through June 2021 at General Services Administration Reclamation Yard, Solid Waste Management Unit 010, located at the John F. Kennedy Space Center (KSC), Florida. For the purposes of this report, two separate plumes, known as the Polychlorinated Biphenyl (PCB)/Volatile Organic Aromatic (VOA) Plume and the Chlorinated Volatile Organic Compound (VOC) Plume were identified for this site. The contaminants of concern (COCs) for the PCB/VOA Plume consists of PCBs, 1,2,4-trichlorobenzene, and breakdown products of 1,2,4-trichlorobenzene. The COCs for the Chlorinated VOC Plume are tetrachloroethene, trichloroethene, cis-1,2-dichloroethene, and vinyl chloride. The activities presented in this report include four field events: (1) October 2020 – Chlorinated VOC Plume groundwater sampling via Direct Push Technology (DPT) – 68 groundwater samples were collected from 14 locations at varying intervals; (2) December 2020 – Site-wide semi-annual water level measurements of 52 monitoring wells and sampling of 39 monitoring wells; (3) May 2021 – Chlorinated VOC Plume monitoring well installation – two monitoring wells were installed and screened from 10 to 20 feet below land surface (bls); and (4) May/June 2021 – Site-wide semi-annual water level measurements of 53 monitoring wells and sampling of 40 monitoring wells. Results showed substantial reduction of both plumes. Conclusions and recommendations are presented.

VOC↗

Secondary sulfate is internally mixed with sea spray aerosol and organic aerosol in the winter Arctic

Abstract. Few measurements of aerosol chemical composition have been made during the winter–spring transition (following polar sunrise) to constrain Arctic aerosol–cloud–climate feedbacks. Herein, we report the first measurements of individual particle chemical composition near Utqiaġvik (Barrow), Alaska, in winter (seven sample days in January and February 2014). Individual particles were analyzed by computer-controlled scanning electron microscopy with energy dispersive X-ray spectroscopy (CCSEM-EDX, 24 847 particles), Raman microspectroscopy (300 particles), and scanning transmission X-ray microscopy with near-edge X-ray absorption fine structure spectroscopy (STXM-NEXAFS, 290 particles). Sea spray aerosol (SSA) was observed in all samples, with fresh and aged SSA comprising 99 %, by number, of 2.5–7.5 µm diameter particles, 65–95 % from 0.5–2.5 µm, and 50–60 % from 0.1–0.5 µm, indicating SSA is the dominant contributor to accumulation and coarse-mode aerosol during the winter. The aged SSA particles were characterized by reduced chlorine content with 94 %, by number, internally mixed with secondary sulfate (39 %, by number, internally mixed with both nitrate and sulfate), indicative of multiphase aging reactions during transport. There was a large number fraction (40 % of 1.0–4.0 µm diameter particles) of aged SSA during periods when particles were transported from near Prudhoe Bay, consistent with pollutant emissions from the oil fields participating in atmospheric processing of aerosol particles. Organic carbon and sulfate particles were observed in all samples and comprised 40–50 %, by number, of 0.1–0.4 µm diameter particles, indicative of Arctic haze influence. Soot was internally mixed with organic and sulfate components. All sulfate was mixed with organic carbon or SSA particles. Therefore, aerosol sources in the Alaskan Arctic and resulting aerosol chemical mixing states need to be considered when predicting aerosol climate effects, particularly cloud formation, in the winter Arctic.

54 ENVIRONMENTAL SCIENCES↗

Ultradeep electron cyclotron resonance plasma etching of GaN

Here, ultradeep (≥5 μm) electron cyclotron resonance plasma etching of GaN micropillars was investigated. Parametric studies on the influence of the applied radio-frequency power, chlorine content in a Cl 2 /Ar etch plasma, and operating pressure on the etch depth, GaN-to-SiO 2 selectivity, and surface morphology were performed. Etch depths of >10 μm were achieved over a wide range of parameters. Etch rates and sidewall roughness were found to be most sensitive to variations in RF power and % Cl 2 in the etch plasma. Selectivities of >20:1 GaN:SiO 2 were achieved under several chemically driven etch conditions where a maximum selectivity of ~39:1 was obtained using a 100% Cl 2 plasma. The etch profile and (0001) surface morphology were significantly influenced by operating pressure and the chlorine content in the plasma. Optimized etch conditions yielded >10 μm tall micropillars with nanometer-scale sidewall roughness, high GaN:SiO 2 selectivity, and nearly vertical etch profiles. These results provide a promising route for the fabrication of ultradeep GaN microstructures for use in electronic and optoelectronic device applications. In addition, dry etch induced preferential crystallographic etching in GaN microstructures is also demonstrated, which may be of great interest for applications requiring access to non- or semipolar GaN surfaces.

36 MATERIALS SCIENCE↗

Search for infrared absorption lines of atmospheric chlorine monoxide (ClO)

A search for features of the ClO (1-0) vibration-rotation band has been conducted based on a 5000 signal-to-rms noise ratio IR spectrum derived by coadding 39 high-quality 0.0053/cm resolution solar spectra recorded with the McMath Fourier transform spectrometer on Kitt Peak. Evidence for absorption has been found at the locations of several of the stronger ClO P-branch lines with minimal interference. Detailed results are presented for the P(8.5) and P(7.5) 2Pi3/2-2Pi3/2 lines of Cl-35O at 833.2974 and 834.6249/cm, respectively. If ClO is present in the stratosphere at the concentrations indicated by other methods, our analysis indicates that modest improvements in signal-to-noise ratio and spectral resolution would permit a definitive detection of ClO in IR ground-based spectra.

Rinsland, Curtis P.↗

Coal desulfurization by chlorinolysis production and combustion test evaluation of product coals

Laboratory-scale screening tests were carried out on coal from Harrison County, Ohio to establish chlorination and hydrodesulfurization conditions for the batch reactor production of chlorinolysis and chlorinolysis-hydrodesulfurized coals. In addition, three bituminous coals, were treated on the lab scale by the chlorinolysis process to provide 39 to 62% desulfurization. Two bituminous coals and one subbituminous coal were then produced in 11 to 15 pound lots as chlorinolysis and hydrodesulfurized coals. The chlorinolysis coals had a desulfurization of 29-69%, reductions in voltatiles and hydrogen. Hydrodesulfurization provided a much greater desulfurization (56-86%), reductions in volatiles and hydrogen. The three coals were combustion tested in the Penn State ""plane flame furnace'' to determine ignition and burning characteristics. All three coals burned well to completion as: raw coals, chlorinolysis processed coals, and hydrodesulfurized coals. The hydrodesulfurized coals experienced greater ignition delays and reduced burning rates than the other coals because of the reduced volatile content. It is thought that the increased open pore volume in the desulfurized-devolatilized coals compensates in part for the decreased volatiles effect on ignition and burning.

Kalvinskas, J. J.↗

Loss of ozone in the Arctic vortex for the winter of 1989

Measurements of ClO (Brune et al., 1990) acquired during the Airborne Arctic Stratospheric Expedition are used to infer concentrations of reactive chlorine (ClO + 2 x Cl2O2). Observed fields of potential temperature and potential vorticity are used to extrapolate in situ data to larger regions of the vortex. Calculated values of the loss rate of O3, based on estimates of reactive chlorine and measurements of BrO (Toohey et al., 1990), suggest that the loss of O3 was abut 12 pct for levels of the atmosphere with potential temperatures between 440 and 470 K over the 39 day duration of the ER-2 flights into the polar vortex. Calculated loss rates agree with observed rates of removal of O3, although significant uncertainties exist for each.

Salawitch, Ross J.↗

On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

Nuclear Magnetic Resonance (NMR) relaxation is sensitive to the local structure and dynamics around the probed nuclei. The Electric Field Gradient (EFG) is the key microscopic quantity to understand the NMR relaxation of quadrupolar ions, such as {sup 7}Li{sup +}, {sup 23}Na{sup +}, {sup 25}Mg{sup 2+}, {sup 35}Cl{sup −}, {sup 39}K{sup +}, or {sup 133}Cs{sup +}. Using molecular dynamics simulations, we investigate the statistical and dynamical properties of the EFG experienced by alkaline, alkaline Earth, and chloride ions at infinite dilution in water. Specifically, we analyze the effect of the ionic charge and size on the distribution of the EFG tensor and on the multi-step decay of its auto-correlation function. The main contribution to the NMR relaxation time arises from the slowest mode, with a characteristic time on the picosecond time scale. The first solvation shell of the ion plays a dominant role in the fluctuations of the EFG, all the more that the ion radius is small and its charge is large. We propose an analysis based on a simplified charge distribution around the ion, which demonstrates that the auto-correlation of the EFG, hence the NMR relaxation time, reflects primarily the collective translational motion of water molecules in the first solvation shell of the cations. Our findings provide a microscopic route to the quantitative interpretation of NMR relaxation measurements and open the way to the design of improved analytical theories for NMR relaxation for small ionic solutes, which should focus on water density fluctuations around the ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ORNL Resolved Resonance Covariance Generation for ENDF/B-VII.1

Resonance-parameter covariance matrix (RPCM) evaluations in the resolved resonance regionwere done at the Oak Ridge National Laboratory (ORNL) for the chromium isotopes, titanium isotopes, {sup 19}F, {sup 58}Ni, {sup 60}Ni, {sup 35}Cl, {sup 37}Cl, {sup 39}K, {sup 41}K, {sup 55}Mn, {sup 233}U, {sup 235}U, {sup 238}U, and {sup 239}Pu using the computer code SAMMY. The retroactive approach of the code SAMMY was used to generate the RPCMs for {sup 233}U. For {sup 235}U, the approach used for covariance generation was similar to the retroactive approach with the distinction that real experimental data were used as opposed to data generated from the resonance parameters. RPCMs for {sup 238}U and {sup 239}Pu were generated together with the resonance parameter evaluations. The RPCMs were then converted in the ENDF format using the FILE32 representation. Alternatively, for computer storage reasons, the FILE32 was converted in the FILE33 cross section covariance matrix (CSCM). Both representations were processed using the computer code PUFF-IV. This paper describes the procedures used to generate the RPCM and CSCM in the resonance region for ENDF/B-VII.1. The impact of data uncertainty in nuclear reactor benchmark calculations is also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Noble gas isotopes and halogens in volatile-rich inclusions in diamonds

Application of the (40)Ar-(39)Ar method and noble gas studies to diamonds has increased our understanding of their age relationships to the host kimberlite or lamproite, and of the source and composition of volatile-rich fluids in the upper mantle. The properties of diamond (inert, high mechanical strength and low gas diffusivities) means they are especially useful samples for studying gases trapped deep within the earth (less than 150 km) as they are unlikely to have undergone loss or exchange of entrapped material since formation. Volatile-rich fluids (H2O-CO2) are important agents for metasomatic processes in the upper mantle, and the noble gases and halogens preferentially partition into this phase leading to a strong geochemical coherence between these groups of elements. The abundances of the halogens in the major reservoirs of the Earth shows a marked progression from chlorine, concentrated in the oceans, through to iodine which, through its affinity to organic material, is concentrated mainly in sediments. Abundances in the upper mantle are low. This is particularly true for iodine which is of special interest in view of its potential significance as an indicator of sediment recycling and by way of its link to (129)Xe amomalies in the mantle through the low extinct isotope (129)I. Extensions of the (40)Ar-(39)Ar technique enable measurements of halogens and other elements (K, Ca, Ba, U) by production of noble gas isotopes from these species during neutron irradiation. Samples analyzed in this way include 15 coated stones from an unknown source in Zaire, 3 boarts from the Jwaneng and 1 boart from the Orapa kimberlites, both in Botswana.

Burgess, Raymond↗

X-ray-line coincidence photopumping in a potassium-chlorine mixed plasma

Exploiting the multiple long pulse capability and suite of x-ray diagnostics of the Orion laser, we have set out to explore line coincidence photopuming—the enhancement in population of an atomic level brought on by resonant absorption of x rays from a different emitting ion. Unlike previous work, the two ions are in the same plasma and so the experiment is an x-ray analog of the well-known Bowen resonance fluorescence mechanism that operates in astrophysical situations in the optical region. Herein, our measurements have shown enhanced fluorescence in a chlorine plasma, attributable to line coincident photopumping from co-mixed potassium ions. To detect this relatively low signal-to-noise phenomenon, the data from multiple shots are combined, and the statistical method of bootstrapping is used to assign a confidence value to the measured enhancement, resulting in an estimate of the enhancement of 39 ± 18 16 % compared to the null case, where no pumping occurs. The experimental results have been compared to coupled radiation-transport and radiation hydrodynamics simulations using the CRETIN code together with the NYM radiation hydrodynamics model and agreement has been found, with the simulations also predicting modest enhancement.

74 ATOMIC AND MOLECULAR PHYSICS↗

Corrigendum to ‘Evidence for shock heating and constraints on Martian surface temperatures revealed by 40 Ar/ 39 Ar thermochronometry of Martian meteorites’ [Geochim. Cosmochim. Acta (2010) 6900–6920]

Here, the authors regret they have discovered errors in Eq. (3) and in a spreadsheet used to calculate cosmogenic exposure ages shown in Table 1. Eq. (3) is missing a term. The spreadsheet errors concerned an incorrect cell reference and application of Eq. (3). Correction of these errors results in ~15–20% changes to the exposure ages of all samples, minor (generally <0.2%) changes to the radioisotopic ages of some samples (those that entailed a correction for chlorine-derived 38Ar calculated based on the exposure age; see Section 3.3), and statistically insignificant changes to the inferred trapped components identified through isochron analyses. These modifications have no impact on the modeling, discussions, or conclusions in the paper, nor do the changes to radioisotopic ages exceed the 1 sigma uncertainties.

58 GEOSCIENCES↗

Improving the energy response of external beam therapy (EBT) GafChromic{sup TM} dosimetry films at low energies (≤100 keV)

Purpose: Purpose of this work is to investigate the effects of varying the active layer composition of external beam therapy (EBT) GafChromic{sup TM} films on the energy dependence of the film, as well as try to develop a new prototype with more uniform energy response at low photon energies (⩽100 keV). Methods: First, the overall energy response (S{sub AD,} {sub W}(Q)) of different commercial EBT type film models that represent the three different generations produced to date, i.e., EBT, EBT2, and EBT3, was investigated. Pieces of each film model were irradiated to a fixed dose of 2 Gy to water for a wide range of beam qualities and the corresponding S{sub AD,} {sub W}(Q) was measured using a flatbed document scanner. Furthermore, the DOSRZnrc Monte Carlo code was used to determine the absorbed dose to water energy dependence of the film, f(Q). Moreover, the intrinsic energy dependence, k{sub bq}(Q), for each film model was evaluated using the corresponding S{sub AD,} {sub W}(Q) and f(Q). In the second part of this study, the authors investigated the effects of changing the chemical composition of the active layer on S{sub AD,} {sub W}(Q). Finally, based on these results, the film manufacturer fabricated several film prototypes and the authors evaluated their S{sub AD,} {sub W}(Q). Results: The commercial EBT film model shows an under response at all energies below 100 keV reaching 39% ± 4% at about 20 keV. The commercial EBT2 and EBT3 film models show an under response of about 27% ± 4% at 20 keV and an over response of about 16% ± 4% at 40 keV.S{sub AD,} {sub W}(Q) of the three commercial film models at low energies show strong correlation with the corresponding f{sup −1}(Q) curves. The commercial EBT3 model with 4% Cl in the active layer shows under response of 22% ± 4% at 20 keV and 6% ± 4% at about 40 keV. However, increasing the mass percent of chlorine makes the film more hygroscopic which may affect the stability of the film's readout. The EBT3 film prototype with 7.5% Si shows a significant improvement in the energy response at very low energies compared to the commercial EBT3 films with 4% Cl. It shows under response of 15% ± 5% at about 20 keV to 2% ± 5% at about 40 keV. However, according to the manufacturer, the addition of 7.5% Si as SiO{sub 2} adversely affected the viscosity of the active fluid and therefore affected the potential use in commercial machine coating. The latest commercial EBT3 film model with 7% Al as Al{sub 2}O{sub 3} shows an overall improvement in S{sub AD,} {sub W}(Q) compared to previous commercial EBT3 films. It shows under response at all energies <100 keV, varying from 20% ± 4% at 20 keV to 6% ± 4% at 40 keV. Conclusions: The energy response of films in the energy range <100 keV can be improved by adjusting the active layer chemical composition. Removing bromine eliminated the over response at about 40 keV. The under response at energies ≤30 keV is improved by adding 7% Al to the active layer in the latest commercial EBT3 film models.

61 RADIATION PROTECTION AND DOSIMETRY↗

Whole metagenome sequencing and 16S rRNA gene amplicon analyses reveal the complex microbiome responsible for the success of enhanced in-situ reductive dechlorination (ERD) of a tetrachloroethene-contaminated Superfund site

The North Railroad Avenue Plume (NRAP) Superfund site in New Mexico, USA exemplifies successful chlorinated solvent bioremediation. NRAP was the result of leakage from a dry-cleaning that operated for 37 years. The presence of tetrachloroethene biodegradation byproducts, organohalide respiring genera (OHRG), and reductive dehalogenase (rdh) genes detected in groundwater samples indicated that enhanced reductive dechlorination (ERD) was the remedy of choice. This was achieved through biostimulation by mixing emulsified vegetable oil into the contaminated aquifer. This report combines metagenomic techniques with site monitoring metadata to reveal new details of ERD. DNA extracts from groundwater samples collected prior to and at four, 23 and 39 months after remedy implementation were subjected to whole metagenome sequencing (WMS) and 16S rRNA gene amplicon (16S) analyses. The response of the indigenous NRAP microbiome to ERD protocols is consistent with results obtained from microcosms, dechlorinating consortia, and observations at other contaminated sites. WMS detects three times as many phyla and six times as many genera as 16S. Both techniques reveal abundance changes in Dehalococcoides and Dehalobacter that reflect organohalide form and availability. Methane was not detected before biostimulation but appeared afterwards, corresponding to an increase in methanogenic Archaea. Assembly of WMS reads produced scaffolds containing rdh genes from Dehalococcoides, Dehalobacter, Dehalogenimonas, Desulfocarbo, and Desulfobacula. Anaerobic and aerobic cometabolic organohalide degrading microbes that increase in abundance include methanogenic Archaea, methanotrophs, Dechloromonas, and Xanthobacter, some of which contain hydrolytic dehalogenase genes. Aerobic cometabolism may be supported by oxygen gradients existing in aquifer microenvironments or by microbes that produce O 2 via microbial dismutation. The NRAP model for successful ERD is consistent with the established pathway and identifies new taxa and processes that support this syntrophic process. This project explores the potential of metagenomic tools (MGT) as the next advancement in bioremediation.

59 BASIC BIOLOGICAL SCIENCES↗

Stratospheric ClO - In-situ detection with a new approach

Stratospheric chlorine monoxide concentrations were measured in situ using a new and improved observational method in which the detection package is lowered on a tether from a balloon-borne platform floating near 40 km altitude and then reeled back up. Two reel down and reel up sequences covering 38 to 31 km produced (ClO) profiles which agree with each other to + or - 12 percent. The measured (ClO) profile falls within the envelope of nine previous fast parachute drop results, but exhibits a different shape, peaking near 32 km as opposed to approximately 39 km for the average of the previous profiles. These results are lower than but consistent with the profiles derived from remote sensing methods, and indicate the need for simultaneous measurements of relevant species.

Brune, Wm. H.↗