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DOE OSTI2016

Nuclear Data Sheets for A = 41

Available information pertaining to the nuclear structure of all nuclei with mass numbers A=41 ranging from Al (Z=13) to Ti (Z=22) are presented. The experimental reaction and decay data are evaluated and any inconsistencies or discrepancies are noted. The adopted values for various level properties (such as the spin, parity and and halflife) and gamma properties (energy, intensity and multipole character) are given. Since the prior evaluation several new measurements have expanded our knowledge of A=41 nuclides. The half-life of the ground state of {sup 41}Si has been determined and a single excited state identified. Excited levels in {sup 41}P have been observed for the first time. In {sup 41}Cl, seven new excited states have been identified in deep inelastic and heavy ion transfer reactions. Half-lifes for four states in {sup 41}Ar have been updated and additional levels with gammas have been included from a new measurement using the multiple ion transfer reaction. In {sup 41}Ca via charge-exchange reaction measurements, several new excited states were observed. A number of new resonances in {sup 41}K have been identified via the (p,γ) reaction. There remains a significant discrepancy in the half-life of the first excited state (980 keV) in {sup 41}K, with measurements differing by more than an order of magnitude. Transfer reactions suggest that this M1 transition should be l-forbidden, however, several measurements yield a lifetime which suggests a sizable M1 strength. Further measurements to resolve the current conflicts would be beneficial.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Light-element nucleosynthesis in a molecular cloud interacting with a supernova remnant and the origin of beryllium-10 in the protosolar nebula

The presence of short-lived radionuclides (t {sub 1/2} < 10 Myr) in the early solar system provides important information about the astrophysical environment in which the solar system formed. The discovery of now extinct {sup 10}Be (t {sub 1/2} = 1.4 Myr) in calcium-aluminum-rich inclusions (CAIs) with Fractionation and Unidentified Nuclear isotope anomalies (FUN-CAIs) suggests that a baseline concentration of {sup 10}Be in the early solar system was inherited from the protosolar molecular cloud. In this paper, we investigate various astrophysical contexts for the nonthermal nucleosynthesis of {sup 10}Be by cosmic-ray-induced reactions. We first show that the {sup 10}Be recorded in FUN-CAIs cannot have been produced in situ by irradiation of the FUN-CAIs themselves. We then show that trapping of Galactic cosmic rays (GCRs) in the collapsing presolar cloud core induced a negligible {sup 10}Be contamination of the protosolar nebula, the inferred {sup 10}Be/{sup 9}Be ratio being at least 40 times lower than that recorded in FUN-CAIs ({sup 10}Be/{sup 9}Be ∼ 3 × 10{sup –4}). Irradiation of the presolar molecular cloud by background GCRs produced a steady-state {sup 10}Be/{sup 9}Be ratio ≲ 1.3 × 10{sup –4} at the time of the solar system formation, which suggests that the presolar cloud was irradiated by an additional source of CRs. Considering a detailed model for CR acceleration in a supernova remnant (SNR), we find that the {sup 10}Be abundance recorded in FUN-CAIs can be explained within two alternative scenarios: (1) the irradiation of a giant molecular cloud by CRs produced by ≳ 50 supernovae exploding in a superbubble of hot gas generated by a large star cluster of at least 20,000 members, and (2) the irradiation of the presolar molecular cloud by freshly accelerated CRs escaped from an isolated SNR at the end of the Sedov-Taylor phase. In the second picture, the SNR resulted from the explosion of a massive star that ran away from its parent OB association, expanded during most of its adiabatic phase in an intercloud medium of density of about 1 H-atom cm{sup –3}, and eventually interacted with the presolar molecular cloud only during the radiative stage. This model naturally provides an explanation for the injection of other short-lived radionuclides of stellar origin into the cold presolar molecular cloud ({sup 26}Al, {sup 41}Ca, and {sup 36}Cl) and is in agreement with the solar system originating from the collapse of a molecular cloud shocked by a supernova blast wave.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Isotopic Evidence for Multi-stage Cosmic-ray Exposure Histories of Lunar Meteorites: Long Residence on the Moon and Short Transition to the Earth

It is known that most lunar meteorites have complicated cosmic-ray exposure experiences on the Moon and in space. In this study, cosmic-ray irradiation histories of six lunar meteorites, Dhofar 489, Northwest Africa 032 (NWA 032), NWA 479, NWA 482, NWA 2995, and NWA 5000, were characterized from neutron-captured isotopic shifts of Sm and Gd, and from the abundances of long-lived cosmogenic radionuclides like {sup 10}Be, {sup 26}Al, {sup 36}Cl, and {sup 41}Ca. Sm and Gd isotopic data of all of six meteorites show significant isotopic shifts of {sup 149}Sm–{sup 150}Sm and {sup 157}Gd–{sup 158}Gd caused by accumulation of neutron capture reactions due to cosmic-ray irradiation, corresponding to the neutron fluences of (1.3–9.6) × 10{sup 16} n cm{sup −2}. In particular, very large Sm and Gd isotopic shifts of NWA 482 are over those of a lunar regolith 70002, having the largest isotopic shifts among the Apollo regolith samples, corresponding to cosmic-ray exposure duration over 800 million years in the lunar surface (2 π irradiation). Meanwhile, the concentrations of cosmogenic radionuclides for individual six meteorites show the short irradiation time less than one million years as their bodies in space (4 π irradiation). Our data also support the results of previous studies, revealing that most of lunar meteorites have long exposure ages at shallow depths on the Moon and short transit times from the Moon to the Earth.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Bioaccumulation of hydroxylated polychlorinated biphenyls and pentachlorophenol in the serum of northern elephant seal pups (Mirounga angustirostris)

Northern elephant seals (NES) (Mirounga angustirostris) from the Año Nuevo State Reserve (CA, USA) were sampled at 1-, 4-, 7- and 10-week post-weaning. Concentrations of hydroxylated polychlorinated biphenyls (HO-PCBs) and their parent PCBs were measured in the serum of each individual. The ΣHO-PCB concentrations in the serum increased significantly between early and late fast (from 282±20 to 529±31 pg/mL). This increase might result from a mobilisation of HO-PCBs transferred from the mother during gestation and/or lactation and stored in the pup's liver. Food deprivation has been shown to exacerbate biotransformation capacities in mammals, birds and fish. The HO-penta-CBs was the predominant homologue group, followed by HO-hexa-CBs and HO-hepta-CBs. No preferential pathway for the metabolism of HO-PCBs (HO-direct insertion or NIH-shift of a chlorine atom) could be evidenced. The concentrations of pentachlorophenol (PCP) in the serum of weaned NES increased from 103±7 pg/mL at early fast to 246±41 pg/mL at late fast, which is within the range of PCP concentrations usually encountered in marine mammals. - Highlights: • Σ HO-PCB concentrations in serum significantly increased between early and late fast. • The HO-penta-CBs were the predominant homologue group measured in serum. • No preferential pathway for the metabolism of HO-PCBs could be evidenced. • PCP concentrations in serum significantly increased between early and late fast.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Mechanism of Chlorine-Mediated Electrochemical Ethylene Oxidation in Saline Water

Chlorine as a redox mediator allows for the selective oxidation of ethylene to 2-chloroethanol, which converts to ethylene oxide in alkaline aqueous electrolyte. This strategy utilizes abundant saline water as an electrolyte and source of oxygen atoms for functionalization. We present a mechanistic study of ethylene oxidation in saline water using cobalt oxide nanoparticle catalysts. Electrochemical kinetic analysis and in situ X-ray absorption spectroscopy suggest that the resting state of the catalyst and the rate-determining step differ for the chlorine evolution reaction in the presence and absence of ethylene. In 0.6 M NaCl pH 8 electrolyte, which resembles seawater, the average current density was ~60 mA/cm 2 with a Faradaic efficiency of ~41% toward ethylene functionalization. The use of synthetic and natural seawater achieved Faradaic efficiencies above 70%, while the partial current toward the product remained invariant. Further conversion of the initial product 2-chloroethanol into ethylene glycol was also demonstrated. Here, we present a broader vision of harnessing saline water in electrochemical functionalization of organic molecules and coproduction of hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

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↗

NASA NTRS2016

Mobile Launch Platform Vehicle Assembly Building Area (SWMU 056) Hot Spot 3 Bioremediation Interim Measures Work Plan, Kennedy Space Center, Florida

This Interim Measures Work Plan (IMWP) presents an approach and design for the remediation of chlorinated volatile organic compound (CVOC) groundwater impacts using bioremediation (biostimulation and bioaugmentation) in Hot Spot 3, which is defined by the area where CVOC (trichloroethene [TCE], cis-1,2-dichloroethene [cDCE], and vinyl chloride [VC]) concentrations are greater than 10 times their respective Florida Department of Environmental Protection (FDEP) Natural Attenuation Default Concentration (NADC) [10xNADC] near the western Mobile Launch Platform (MLP) structure. The IM treatment area is the Hot Spot 3 area, which is approximately 0.07 acres and extends from approximately 6 to 22 and 41 to 55 feet below land surface (ft BLS). Within Hot Spot 3, a source zone (SZ; area with TCE concentrations greater than 1% solubility [11,000 micrograms per liter (micrograms/L)]) was delineated and is approximately 0.02 acres and extends from approximately 6 to 16 and 41 to 50 ft BLS.

MLPV↗

DOE OSTI2015

Passive exposures of children to volatile trihalomethanes during domestic cleaning activities of their parents

Domestic cleaning has been proposed as a determinant of trihalomethanes (THMs) exposure in adult females. We hypothesized that parental housekeeping activities could influence children's passive exposures to THMs from their mere physical presence during domestic cleaning. In a recent cross-sectional study (n=382) in Cyprus [41 children (<18y) and 341 adults (≥18y)], we identified 29 children who met the study's inclusion criteria. Linear regression models were applied to understand the association between children sociodemographic variables, their individual practices influencing ingestion and noningestion exposures to ΣTHMs, and their urinary THMs levels. Among the children-specific variables, age alone showed a statistically significant inverse association with their creatinine-adjusted urinary ΣTHMs (r{sub S}=−0.59, p<0.001). A positive correlation was observed between urinary ΣTHMs (ng g{sup −1}) of children and matched-mothers (r{sub S}=0.52, p=0.014), but this was not the case for their matched-fathers (r{sub S}=0.39, p=0.112). Time spent daily by the matched-mothers for domestic mopping, toilet and other cleaning activities using chlorine-based cleaning products was associated with their children's urinary THMs levels (r{sub S}=0.56, p=0.007). This trend was not observed between children and their matched-fathers urinary ΣTHMs levels, because of minimum amount of time spent by the latter in performing domestic cleaning. The proportion of variance of creatinine-unadjusted and adjusted urinary ΣTHMs levels in children that was explained by the matched-mothers covariates was 76% and 74% (p<0.001), respectively. A physiologically-based pharmacokinetic model adequately predicted urinary chloroform excretion estimates, being consistent with the corresponding measured levels. Our findings highlighted the influence of mothers' domestic cleaning activities towards enhancing passive THMs exposures of their children. The duration of such activities could be further tested as a valid indicator of children's THMs body burden. - Highlights: • First report on THMs exposure assessment in matched parents and children. • Duration of domestic cleaning by mothers influenced passive exposure to THMs in children. • Matched-fathers did little cleaning and thereby no contribution to passive exposure to THMs in children. • Reverse dosimetry showed a good agreement between predicted and observed urinary chloroform. • Passive exposures to THMs require new attention in survey questionnaires and epidemiology.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2005

A Kinetic and Product Study of the Cl + HO2 Reaction

Absolute rate data and product branching ratios for the reactions Cl + HO2 to HCl + O2 (k1a) and Cl + HO2 to OH + ClO (k1b) have been measured from 226 to 336 K at a total pressure of 1 Torr of helium using the discharge flow resonance fluorescence technique coupled with infrared diode laser spectroscopy. For kinetic measurements, pseudo-first-order conditions were used with both reagents in excess in separate experiments. HO2 was produced by two methods: through the termolecular reaction of H atoms with O2 and also by the reaction of F atoms with H2O2. Cl atoms were produced by a microwave discharge of Cl2 in He. HO2 radicals were converted to OH radicals prior to detection by resonance fluorescence at 308 nm. Cl atoms were detected directly at 138 nm also by resonance fluorescence. Measurement of the consumption of HO2 in excess Cl yielded k1a and measurement of the consumption of Cl in excess HO2 yielded the total rate coefficient, k1. Values of k1a and k1 derived from kinetic experiments expressed in Arrhenius form are (1.6 +/- 0.2) x 10-11 exp[(249 +/- 34)/T] and (2.8 +/- 0.1) x 10-11 exp[(123 +/- 15)/T] cm3 molecule-1 s-1, respectively. As the expression for k1 is only weakly temperature dependent, we report a temperature-independent value of k1 = (4.5 +/- 0.4) x 10-11 cm3 molecule-1 s-1. Additionally, an Arrhenius expression for k1b can also be derived: k1b = (7.7 +/- 0.8) x 10-11 exp[-(708 +/- 29)/T] cm3 molecule-1 s-1. These expressions for k1a and k1b are valid for 226 K T 336 and 256 K T 296 K, respectively. The cited errors are at the level of a single standard deviation. For the product measurements, an excess of Cl was added to known concentrations of HO2 and the reaction was allowed to reach completion. HCl product concentrations were determined by IR absorption yielding the ratio k1a/k1 over the temperature range 236 K T 296 K. OH product concentrations were determined by resonance fluorescence giving rise to the ratio k1b/k1 over the temperature range 226 K T 336 K. Both of these ratios were subsequently converted to absolute numbers. Values of k1a and k1b from the product experiments expressed in Arrhenius form are (1.5 +/- 0.1) x 10-11 exp[(222 +/- 17)/T] and (10.6 +/- 1.5) x 10-11 exp[-(733 +/- 41)/T] cm3 molecule-1 s-1, respectively. These expressions for k1a and k1b are valid for 256 K T 296 and 226 K T 336 K, respectively. A combination of the kinetic and product data results in the following Arrhenius expressions for k1a and k1b of (1.4 +/- 0.3) x 10-11 exp[(269 +/- 58)/T] and (12.7 +/- 4.1) x 10-11 exp[-(801 +/- 94)/T] cm3 molecule-1 s-1, respectively. Numerical simulations were used to check for interferences from secondary chemistry in both the kinetic and product experiments and also to quantify the losses incurred during the conversion process HO2 to OH for detection purposes.

rate constants↗

DOE OSTI2014

MCNP6 Gets Correlated with CGM 3.4 - Paper 41

Version 3.4 of the Cascading Gamma-ray Multiplicity (CGM) code has been integrated into version 6 of the Monte Carlo radiation transport code MCNP. The current release is MCNP6 which is the merger of MCNPX 2.7.0 and MCNP5. MCNP6 is a general purpose Monte Carlo radiation transport code that can transport 34 different particles and heavy ions. CGM was originally integrated into MCNPX 2.7.0 as an undocumented feature, but was never released to the public. With the integration of CGM into MCNP6 the code now has the capability of producing correlated secondary particle/gamma emissions and should be available in future release of MCNP. Before the integration of CGM, MCNP only used libraries that contain the total multiplicity but not the multiplicity distribution or the correlations. Lacking this information requires the code to use integer sampling to determine the multiplicity. In the example of thermal neutron capture on Cl-35, presented in the results section, MCNP does integer sampling. This means MCNP would produce one gamma 17% of the time and two gammas 82% giving a mean multiplicity of 1.83. Using CGM, MCNP can now produce a spectrum of multiplicities. The use of CGM has several advantages over the use of ACE data libraries in MCNP6: 1) it has correlated gamma production, 2) it produces a distribution of gamma multiplicities per interaction, whereas ACE produces an average between two integer multiplicities, 3) it is a theoretical model that may predict experimentally unmeasured physical quantities that may not be in experimental based data libraries. CGM conserves energy and angular momentum internally to CGM; however, angular emission information is not currently sent back to MCNP6. Future work will include the integration of correlated neutrons from CGM. Also, the reaction type will be passed to CGM to set the spin and parity for a particular reaction when possible. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗