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At least 199 records · Page 11

Trifluoroacetic Acid from Degradation of HCFCs and HFCs: A Three-Dimensional Modeling Study

Trifluoroacetic acid (TFA; CF3COOH) is produced by the degradation of the halocarbon replacements HFC-134a, HCFC-124, and HCFC-123. The formation of TFA occurs by HFC/HCFC reacting with OH to yield CF3COX (X = F or CI), followed by in-cloud hydrolysis of CF3COX to form TFA. The TFA formed in the clouds may be reevaporated but is finally deposited onto the surface by washout or dry deposition. Concern has been expressed about the possible long-term accumulation of TFA in certain aquatic environments, pointing to the need to obtain information on the concentrations of TFA in rainwater over scales ranging from local to continental. Based on projected concentrations for HFC-134a, HCFC-124, and HCFC-123 of 80, 10, and 1 pptv in the year 2010, mass conservation arguments imply an annually averaged global concentration of 0.16 micro g/L if washout were the only removal mechanism for TFA. We present 3-D simulations of the HFC/HCFC precursors of TFA that include the rates of formation and deposition of TFA based on assumed future emissions. An established (GISS/Harvard/ UCI) but coarse-resolution (8 deg latitude by 10 deg longitude) chemical transport model was used. The annually averaged rainwater concentration of 0.12 micro g/L (global) was calculated for the year 2010, when both washout and dry deposition are included as the loss mechanism for TFA from the atmosphere. For some large regions in midnorthern latitudes, values are larger, 0.15-0.20 micro g/L. The highest monthly averaged rainwater concentrations of TFA for northern midlatitudes were calculated for the month of July, corresponding to 0.3-0.45 micro g/L in parts of North America and Europe. Recent laboratory experiments have suggested that a substantial amount of vibrationally excited CF3CHFO is produced in the degradation of HFC-134a, decreasing the yield of TFA from this compound by 60%. This decrease would reduce the calculated amounts of TFA in rainwater in the year 2010 by 26%, for the same projected concentrations of precursors.

Kotamarthi, V. R.↗

Trifluoroacetic Acid from Degradation of HCFCs and HFCs: A Three-Dimensional Modeling Study

Trifluoroacetic acid (TFA; CF3 COOH) is produced by the degradation of the halocarbon replacements HFC-134a, HCFC-124, and HCFC-123. The formation of TFA occurs by HFC/HCFC reacting with OH to yield CF3COX (X = F or CI), followed by in-cloud hydrolysis of CF to form TFA. The TFA formed in the clouds may be reevaporated but is finally deposited onto the surface by washout or dry deposition. Concern has been expressed about the possible long-term accumulation of TFA in certain aquatic environments, pointing to the need to obtain information on the concentrations of TFA in rainwater over scales ranging from local to continental. Based on projected concentrations for HFC-134a, HCFC-124, and HCFC-123 of 80, 10, and 1 pptv in the year 2010, mass conservation arguments imply an annually averaged global concentration of 0.16 micro g/L if washout were the only removal mechanism for TFA. We present 3-D simulations of the HFC/HCFC precursors of TFA that include the rates of formation and deposition of TFA based on assumed future emissions. An established (GISS[Harvard/ UCI) but coarse-resolution (8 deg latitude by 10 deg longitude) chemical transport model was used. The annually averaged rainwater concentration of 0.12 micro g/L (global) was calculated for the year 2010, when both washout and dry deposition are included as the loss mechanism for TFA from the atmosphere. For some large regions in midnorthern latitudes, values are larger. 0.15-0.20 micro g/L. The highest monthly averaged rainwater concentrations of TFA for northern midlatitudes were calculated for the month of July, corresponding to 0.3 - 0.45 micro g/L in parts of North America and Europe. Recent laboratory experiments have suggested that a substantial amount of vibrationally excited CF3CHFO is produced in the degradation of HFC-134a, decreasing the yield of TFA from this compound by 60%. This decrease would reduce the calculated amounts of TFA in rainwater in the year 2010 by 26%, for the same projected concentrations of precursors.

Kotamarthi, V. R.↗

On the Relationship between Cosmic Ray Exposure Ages and Petrography of CM Chondrites

Carbonaceous (C) chondrites are potentially the most primitive among chondrites because they mostly escaped thermal metamorphism that affected the other chondrite groups. C chondrites are chemically distinguished from other chondrites by their high Mg/Si ratios and refractory elements, and have experienced various degrees of aqueous alteration. They are subdivided into eight subgroups (CI, CM, CO, CV, CK, CR, CB and CH) based on major element and oxygen isotopic ratios. Their elemental ratios vary over a wide range, in contrast to those of ordinary and enstatite chondrites which are relatively uniform. It is critical to know how many separate bodies are represented by the C chondrites. In this study we defined 4 distinct cosmic-ray exposure (CRE) age groups of CMs and systematically characterized the petrography in each of the 4 CRE age groups to determine whether the groups have significant petrographic differences with such differences probably reflecting different parent body (asteroid) geological processing, or multiple original bodies. We have reported the results of a preliminary grouping at the NIPR Symp. in 2013 [3], however, we revised the grouping and here report our new results.

Takenouchi, A.↗

Noble Gases in Samples Returned From Asteroids Ryugu and Bennu

Introduction: The asteroid sample return missions, JAXA’s Hayabusa2 [1] and NASA’s OSIRIS-REx [2], fromC-rich asteroids Ryugu and Bennu offer unique opportunities to sample pristine early solar system material, unaffected by terrestrial weathering and contamination, and with a known geological context. The comparison with most primi-tive members of carbonaceous –and inner solar system ordinary and enstatite– chondrite classes allows us to (i) assess the variation (or the lack of thereof) of the distribution of the most volatile elements throughout the entire early solar system, (ii) determine the effects of parent body thermal and aqueous alteration, and (iii) learn about the dynamic evolution and history of the various parent bodies, as sampled by both return missions and meteorite delivery. Here we will present noble gas data obtained from newly received particles from Ryugu and Bennu. Samples & Analysis: We received nine particles allocated by JAXA, with masses of 0.5-1.7 mg mass: four col-lected during Hayabusa2’s first touchdown (chamber A) and five from a small artificial crater (chamber C). We received three particles from Bennu of 0.07, 0.89 and 0.94 mg mass (OREX-800032-102/3/4). All particles were processed, allocated, weighed, and transferred into our UHV sample chamber within pure N2, to prevent any contact with air. We examined all He-Xe isotopes with our custom-built mass spectrometer “Albatros” ([3,4]). Gases were extracted individually from each particle by melting induced by a 1064 μm Nd:YAG IR laser in 2–4 heating steps. Large amounts of water and other reactive volatiles were released, consistent with the presence of abundant volatiles from both Ryugu and Bennu. Residues of Ryugu particles remaining after lasering, subsequently exposed to air, were additionally extracted in a crucible to verify complete gas extraction. Only the particle that still showed a “crystalline” structure after lasering contained detectable Ryugu noble gases, whereas all other particles turned immediately into glassy spheres by laser heating and lacked any gas. Results & Discussion: Ryugu and Bennu matter contains noble gases similar to the most pristine, unheated aqueously altered meteorites, e.g., CM or CI chondrites [5,6]. Remarkably, all four chamber A samples that originated from Ryugu’s surface show solar wind (SW) Ne (trapped (20Ne/22Ne)tr ~12–13), whereas all five chamber C samples do not ((20Ne/22Ne)tr ~9.0–10.7 consistent with the presence of non-solar trapped Ne components such as Q and HL). This demonstrates that JAXA’s sampling strategy succeeded: Chamber C samples analyzed in this work originated from areas shielded from SW, slightly below the surface, that was sampled after the impactor excavated material. The three Bennu particles populate the same range as the Ryugu particles in Ne isotope space with one particle containing SW suggesting that it was part of the uppermost surface layer of Bennu during sampling, while Ne in the smallest sample can be explained best by mixing Ne from presolar diamonds and SiC or graphite, and that in the third one by mixing of, e.g., Q and HL. Using cosmic ray production rates given by [7] yields preliminary exposure ages for Ryugu particles in the same range as determined in [7]. There is, as expected, also no systematic difference between samples from chambers A and C because both sample sets were likely collected within the uppermost layer of Ryugu, which were not shielded from cosmic rays. The concentration of cosmogenic (cos) Ne in the Bennu particle, where Necos was resolvable, is in the same range as found for Ryugu, suggesting roughly similar exposure time to cosmic rays for 5–8 Ma for all particles examined here. The Xe isotopic compositions of all particles are consistent with those of phase Q, with small additions of Xe-HL from presolar diamonds and excess 129Xe* from short-lived 129I decay. The comparably high 129Xe*/129XeQ ratio is similar in all samples, suggesting similar initial I concentrations and closure to Xe loss –or the incorporation of a well-mixed Xe reservoir. The Bennu material was in brief contact with air in the capsule, after atmospheric entry and before storage in pure N2 in a clean room. Both, the –most diagnostic– Xe isotopes and the Ar/Xe vs. Kr/Xe systematics prove that the noble gases are not affected by terrestrial contamination, in contrast to many CI, CY, and CM chondrites found on Earth [5,6], illustrating the importance of sample return. He-Xe concentrations in all particles unaffected bySW are comparable to but at the upper end of ranges reported [5-7]. In accordance with the strong aqueous alteration experienced on the parent bodies of Ryugu and Bennu [1,2], all samples lack the Ar-rich and water-susceptible noble gas components found in less aqueously altered CMs or CRs [e.g., 5,8] and all COs.

Henner Busemann↗

COVID-19-Related Experiences and Perspectives of Peruvian College Students: A Descriptive Study

The COVID-19 pandemic drastically affected higher education and higher education students around the world, but few studies of college students’ experiences during the COVID-19 pandemic have been conducted in Latin America. This study describes the COVID-19-related experiences and perspectives of Peruvian college students. We surveyed 3,427 full-time college students (average age: 23 years) attending a multi-campus Peruvian university in fall 2020. Participants were recruited through the digital platform of the learning management system at their university, email, and social media. We asked participants how they were managing risks related to COVID-19; the continuity of social, educational, and work activities; and the psychological and economic impacts of the pandemic on their lives. Since March 2020, 73.0% of participants reported COVID-19-related symptoms, but only 33.9% were tested for COVID-19. During the national quarantine imposed by the Peruvian government (March 15–June 30, 2020), 64.3% of participants remained in their house. Furthermore, while 44.0% of participants were working in February 2020 (95% CI: [41.7%, 46.4%]), only 23.6% (95% CI: [21.7%, 25.7%]) were working immediately after the pandemic began (i.e., at the end of April 2020). Participants were more stressed about the health and educational implications of COVID-19 for Peruvian society and their families than about themselves. The public health, economic, and educational implications of COVID-19 on college students are continuing to unfold. This study informed Peruvian higher education institutions’ continued response to the COVID-19 pandemic, the progressive return to postpandemic activities, as well as other future pandemics and other crises.

Bazo-Alvarez, Juan Carlos↗

Large-scale production of 88 Y and 88 Zr/ 88 Y generators: A proof of concept study for a 70 MeV H – cyclotron

Here, the large-scale production of 88 Y with proton-induced reactions has been investigated from the perspective of new generation 70 MeV H – cyclotrons. Tandem target configurations are presented for both the direct production of 88 Y as well as for producing 88 Zr/ 88 Y generators. Based on the relevant excitation functions, physical yields have been derived for 88 Y production with Y 2 O 3 /SrCO 3 tandem targets and 88 Zr production with Zr/Y 2 O 3 tandem targets. Yields are presented for optimized targets (i.e. optimum yield) as well as for balanced thermal loads on the individual targets. Liquid 88 Zr/ 88 Y generators have been produced using both natural Zr and Nb target materials, the former for dedicated productions and the latter as a byproduct by processing spent irradiated Nb capsules which normally would constitute radioactive waste. These stock solutions, which contain both the target material and 88 Zr precursor, are retained virtually unchanged after processing except for the removal of 88 Y on AG MP-50 macroporous cation-exchange resin. Methods are presented for the preparation of Nb stock solutions in hydrofluoric acid and Zr stock solutions in sulfuric acid. It is shown that multi-Ci productions of 88 Y are feasible at a 70 MeV cyclotron facility, suitable for the needs of fracking applications. In addition, 88 Zr/ 88 Y generators can provide 88 Y with very high specific activity, suitable for labelling of biomolecules.

07 ISOTOPE AND RADIATION SOURCES↗

Compositional Variation in Apollo 16 Impact-Melt Breccias and Inferences for the Geology and Bombardment History of the Central Highlands of the Moon

High-precision data for the concentrations of a number of lithophile and siderophile elements were obtained on multiple subsamples from 109 impact-melt rocks and breccias (mostly crystalline) from the Apollo 16 site. Compositions of nearly all Apollo 16 melt rocks fall on one of two trends of increasing Sm concentration with increasing Sc concentration. The Eastern trend (lower Sm/Sc, Mg/Fe, and Sm/Yb ratios) consists of compositional groups 3 and 4 of previous classification schemes. These melt rocks are feldspathic, poor in incompatible and siderophile elements, and appear to have provenance in the Descartes formation to the east of the site. The Western trend (higher Sm/Sc. Mg/Fe, and Sm/ Yb ratios) consists of compositional groups 1 and 2. These relatively mafic, KREEP-bearing breccias are a major component (approx.35%) of the Cayley plains west of the site and are unusual, compared to otherwise similar melt breccias from other sites, in having high concentrations of Fe-Ni metal ( 1-2 %). The metal is the carrier of the low-Ir/Au (approx. 0.3 x chondritic) siderophile-element signature that is characteristic of the Apollo 16 site. Four compositionally distinct groups (1M, 1F, 2DB, and 2NR) of Western-trend melt breccias occur that are each represented by at least six samples. Compositional group 1 or previous classification schemes (the 'poikilitic' or 'LKFM' melt breccias) can be subdivided into two groups. Group 1M (represented by six samples, including 60315) is characterized by lower Al2O3 concentrations, higher MgO and alkali concentrations, and higher Mg/Fe and Cr/Sc ratios than group 1F (represented by fifteen samples, including 65015). Group 1M also has siderophile-element concentrations averaging about twice those of group lF and Ir/Au and Ir/Ni ratios that are even lower than those of other Western-trend melt rocks (Ir/Au = 0.24 +/- 0.03. CI-normalized). At the mafic extreme of group 2 ('VHA' melt breccias), the melt lithology occurring as clasts in feldspathic fragmental breccias from North Ray crater (group 2NR) is compositionally distinct from the melt lithology ofdimict breccias from the Cayley plains (group 2DB) in having higher concentrations of Sc, Cr, and heavy rare earth elements and lower concentrations of siderophile elements. The distinct siderophile-element signature (high absolute abundances, low Ir/Au ratio) suggest that the four groups ofmafic melt breccia are all somehow related. Ratios ofsome lithophile elements also suggest that they are more closely related to each other than then, are to melt breccias from other Apoll sites. However, none of the breccia compositions can be related to any of the others by any simple process of igneous fractionation or mixing involving common lunar materials. Thus, the origin of the four groups of mafic melt breccia is enigmatic. If they were produced in only one or two impacts, then a mechanism exists for generating regimes of impact-melt breccia in a single impact that are substantially different from each other in composition. For various reasons, including the problem of delivering large volumes of four different types of melt to the Apollo 16 site, it is unlikely that any of these breccias were produced in basin-forming impacts. If they were produced in as many as four crater-forming impacts, then the unusual siderophile-element signature is difficult to explain. Possible explanations are (1) the four groups of melt breccia all contain metal from a single, earlier impact, (2) they were each formed by related metal-rich meteoroids, or (3) some common postimpact process has resulted in metal of similar composition in each of four melt pools. Within a compositional group, most intrasample and intersample variation in lithophile element concentrations is caused by differences among samples in the proportion of a component of normative anorthosite or noritic anorthosite. In most cases, this compositional variation probably reflects variation in clast abundance. For group 2DB (and probably 2NR), differences in abundance of a component of ferroan anorthosite (estimated Al2O3 approx. 32%) accounts for the compositional variation. For groups 1M and 1F, the anorthositic component is more mafic (estimated Al203 approx. 26%). Some group-2 samples may be related by a troctolitic component of varying abundance.

Korotev, Randy L.↗

Determining the amount of physical activity needed for long-term weight control

OBJECTIVE: To evaluate prospectively the influence of habitual physical activity on body weight of men and women and to develop a model that defines the role of physical activity on longitudinal weight change. DESIGN AND SETTING: Occupational cohort study conducted for a mean of 5.5 y. SUBJECTS: A total of 496 (341 male and 155 female) NASA/Johnson Space Center employees who completed the 3 month education component of the employee health-related fitness program and remained involved for a minimum of 2 y. MEASUREMENTS: Body weights were measured at baseline (T1) and follow-up (T2), and habitual physical activity was obtained from the mean of multiple ratings of the 11-point (0-10) NASA Activity Scale (NAS) recorded quarterly between T1 and T2. Other measures included age, gender, VO(2 max) obtained from maximal treadmill testing, body mass index (BMI), and body fat percentage. RESULTS: Multiple regression demonstrated that mean NAS, T1 weight, aging and gender all influence long-term T2 weight. T1 age was significant for the men only. Independently, each increase in mean NAS significantly (P<0.01) reduced T2 weight in men (b=-0.91 kg; 95% CI:-1.4 to-0.42 kg) and women (b=-2.14 kg; 95% CI:-2.93 to-1.35 kg). Mean NAS had a greater effect on T2 weight as T1 weight increased, and the relationship was dose-dependent. CONCLUSIONS: Habitual physical activity is a significant source of long-term weight change. The use of self-reported activity level is helpful in predicting long-term weight changes and may be used by health care professionals when counseling patients about the value of physical activity for weight control.

Exercise↗

Attribution of the role of climate change in the forest fires in Sweden 2018

In this study, we analyse the role of climate change in the forestfires that raged through large parts of Sweden in the summer of 2018 from ameteorological perspective. This is done by studying the Canadian FireWeather Index (FWI) based on sub-daily data, both in reanalysis data sets(ERA-Interim, ERA5, the Japanese 55 year Reanalysis, JRA-55, and Modern-Era Retrospective analysis for Research and Applications version 2, MERRA-2) and three large-ensemble climatemodels (EC-Earth, weather@home, W@H, and Community Earth System Model, CESM) simulations. The FWI, based on reanalysis, correlates well with the observed burnt area in summer (r=0.6 to 0.8). We find that the maximum FWI in July 2018 had return times of ~24 years (90 % CI, confidence interval, > 10 years) for southern and northern Sweden. Furthermore, we find a negative trend of the FWI for southern Sweden over the 1979 to 2017 time period in the reanalyses, yielding a non-significant reduced probability of such an event. However, the short observational record, large uncertainty between the reanalysis products and large natural variability of the FWI give a large confidence interval around this number that easily includes no change, so we cannot draw robust conclusions from reanalysis data. The three large-ensembles with climate models point to a roughly 1.1 (0.9 to 1.4) times increased probability (non-significant) for such events in the current climate relative to preindustrial climate. For a future climate (2 °C warming), we find a roughly 2 (1.5 to 3) times increased probability for such events relative to the preindustrial climate. The increased fire weather risk is mainly attributed to the increase intemperature. The other main factor, i.e. precipitation during summer months, isprojected to increase for northern Sweden and decrease for southern Sweden. We, however, do not find a clear change in prolonged dry periods in summer months that could explain the increased fire weather risk in the climate models. In summary, we find a (non-significant) reduced probability of such eventsbased on reanalyses, a small (non-significant) increased probability due to global warming up to now and a more robust (significant) increase in the risk for such events in the future based on the climate models.

54 ENVIRONMENTAL SCIENCES↗

The role of lattice dynamics in ferroelectric switching

Reducing the switching energy of ferroelectric thin films remains an important goal in the pursuit of ultralow-power ferroelectric memory and logic devices. Here, we elucidate the fundamental role of lattice dynamics in ferroelectric switching by studying both freestanding bismuth ferrite (BiFeO 3 ) membranes and films clamped to a substrate. We observe a distinct evolution of the ferroelectric domain pattern, from striped, 71° ferroelastic domains (spacing of ~100 nm) in clamped BiFeO 3 films, to large (10’s of micrometers) 180° domains in freestanding films. By removing the constraints imposed by mechanical clamping from the substrate, we can realize a ~40% reduction of the switching voltage and a consequent ~60% improvement in the switching speed. Our findings highlight the importance of a dynamic clamping process occurring during switching, which impacts strain, ferroelectric, and ferrodistortive order parameters and plays a critical role in setting the energetics and dynamics of ferroelectric switching.

36 MATERIALS SCIENCE↗

Phase transition enhanced superior elasticity in freestanding single-crystalline multiferroic BiFeO 3 membranes

The integration of ferroic oxide thin films into advanced flexible electronics will bring multifunctionality beyond organic and metallic materials. However, it is challenging to achieve high flexibility in single-crystalline ferroic oxides that is considerable to organic or metallic materials. Here, we demonstrate the superior flexibility of freestanding single-crystalline BiFeO 3 membranes, which are typical multiferroic materials with multifunctionality. They can endure cyclic 180° folding and have good recoverability, with the maximum bending strain up to 5.42% during in situ bending under scanning electron microscopy, far beyond their bulk counterparts. Such superior elasticity mainly originates from reversible rhombohedral-tetragonal phase transition, as revealed by phase-field simulations. This study suggests a general fundamental mechanism for a variety of ferroic oxides to achieve high flexibility and to work as smart materials in flexible electronics.

36 MATERIALS SCIENCE↗

Oxygen Isotope Ratios of Magnetite in CI-Like Clasts from a Polymict Ureilite

Polymict ureilites contain a variety of Less than or equal to mm to cm sized non-ureilitic clasts, many of which can be identifed as chondritic and achondritic meteorite types. Among them, dark clasts have been observed in polymict ureilites that are similar to CI chondrites in mineralogy, containing phyllosilicates, magnetite, sulfide and carbonates. Bulk oxygen isotope analyses of a dark clast in Nilpena plot along the CCAM line and above the terrestrial fractionation line, on the O-poor extension of the main group ureilite trend and clearly different from bulk CI chondrites. One possible origins of such dark clast is that they represent aqueously altered precursors of ureilite parent body (UPB) that were preserved on the cold surface of the UPB. Oxygen isotope analyses of dark clasts are key to better understanding their origins. Oxygen isotope ratios of magnetite are of special interest because they reflect the compositions of the fluids in asteroidal bodies. In primitive chondrites, Delta O (= Delta O - 0.52× Delta O) values of magnetites are always higher than those of the bulk meteorites and represent minimum Delta O values of the initial O-poor aqueous fluids in the parent body. Previous SIMS analyses on magnetite and fayalite in dark clasts from the DaG 319 polymict ureilite were analytically difficult due to small grain sizes, though data indicated positive Delta O values of 3-4 per mille, higher than that of the dark clast in Nilpena (1.49per mille).

Kita, N. T.↗

Soluble Organic Matter (SOM) analysis of the Hayabusa2 samples: The first results

The Hayabusa2 spacecraft successfully collected the surface and possible sub-surface materials of the asteroid 162173 Ryugu. Ryugu is a C-type asteroid characterized by a low-albedo surface probably consisting of hydrous minerals and carbonaceous materials. [1] The direct optical and spectral analysis of the returned samples indicates that Ryugu material is dominated by hydrous carbonaceous chondrite-like matter (similar to CI chondrites) [2]. Since carbonaceous chondrites have generally yielded various types of organic matter, the collected Ryugu grains are expected to contain diverse types of organic compounds including bio-related molecules. The occurrence of organic compounds in the Ryugu surface will provide clues to the evolution of prebiotic molecules and their preservations associated with aqueous alteration of the primitive asteroid. The initial analysis of soluble organic matter (SOM) of the Hayabusa2-returned samples has been performed by an international team consisting of 32 members. Because the sample amount available for comprehensive SOM analyses is limited, and because the SOM is expected to be present as a complex mixture of various types of organic compounds with very small concentrations of each compound, high-sensitivity and high-resolution analytical techniques have been developed using carbonaceous meteorites [e.g. 3]. Two aggregate samples of the Ryugu grains (A106 and C107) were allocated for the solvent extractions and bulk carbon (C), hydrogen (H), nitrogen (N), sulfur (S) and oxygen (O) measurements. The A106 sample was collected during the 1st sampling in February 2019 and the C107 sample was collected during the 2nd sampling in July 2019 after the Small Carry Impactor (SCI) operation. They consist mainly of particles smaller than 1 mm in diameter, and each sample mass was 38-39 mg. They were firstly investigated spectroscopically in the near infrared wavelength range by the Stone Team prior to the solvent extractions. Other small grains (A0080 and C0057) were also allocated for this study to investigate the spatial distribution of organic compounds on the sample surface. The extraction and analytical measurements implemented by the SOM Team are summarized in Figure 1. Each powder sample was extracted sequentially with non-polar to polar solvents, i.e., hexane, dichloromethane (DCM), methanol (MeOH) and H2O, for non-targeted analysis to reveal the compound composition. Each solvent extract was analyzed by solution state nuclear magnetic resonance (NMR) spectroscopy [4], Fourier transform- ion cyclotron resonance/mass spectrometry (FT-ICR/MS) with ESI and APPI ionization [5] and by high-resolution mass spectroscopy using Orbitrap MS coupled with nano-liquid chromatography (nanoLC/Orbitrap MS) [6], and using two dimensional gas chromatography/mass spectrometry (GC×GC/MS). The extracted residues were passed to the Chemistry Team for further inorganic element analysis. The other powder sample was subjected to the hot water extraction for amino acid analyses including chiral isomer separation, which was performed by three-dimensional (3D) high-performance liquid chromatography (HPLC) with high-sensitivity fluorescence detection (FD) [7] and by HPLC/FD coupled with quadrupole-time of flight/mass spectrometry (QToF/MS) [8]. After the hot water extraction, the residue was split into two halves. One half was further extracted with hydrochloric acid (HCl) to analyze for amino acids in bound-form. The other half was sequentially extracted with DCM/MeOH (1/1) to analyze semi-polar compounds such as polycyclic aromatic hydrocarbons (PAHs) by GC/MS, followed by further extraction with formic acid to analyze polar heterocyclic compounds, and subsequent extraction with HCl to detect bound-form polar compounds. The extracted residues were passed to the IOM Team for the analysis of insoluble organic matter (IOM). Compound-specific stable isotope analyses will be performed using GC/combustion/isotope ratio mass spectrometry (GC/C/IRMS) if the compound concentration is high enough to enable such an isotopic measurement. All extraction procedures were performed on an ISO 6 (Class 100) clean bench inside an ISO 5 (Class 1000) clean room. Baked serpentine powder was also analyzed as a procedural blank. In situ organic compound analysis with the molecular imaging was performed using desorption electrospray ionization (DESI) equipped with Orbitrap MS [9, 10], followed by spatial imaging of organic compounds using ToF/secondary ion mass spectrometry (ToF/SIMS) [11]. The bulk chemical and isotopic compositions of CNS and HO were determined using nano-elemental analysis/isotope ratio mass spectrometry (nanoEA/IRMS) [12] and EA/pyrolysis/IRMS, respectively. We have identified a variety of indigenous organic compounds in the extracts of both A106 and C107 samples. The Ryugu grains host organic molecules under the high-vacuum and cosmic-ray irradiation environment of the asteroid surface. The analysis of extracted molecules is in progress, and the first results will be presented at the symposium.

Hiroshi Naraoka↗

Domain patterns and super-elasticity of freestanding BiFeO 3 membranes via phase-field simulations

Super-elasticity of functional ferroelectric oxides offers promises for integrating ferroelectric films into flexible electronics. However, super-elastic deformation is a complex phenomenon related to possibly multiple concurrent mechanisms. Fundamentally understanding how multiple mechanisms contribute to the super-elasticity of ferroelectric oxides is crucial to realizing their potential flexible electronic applications. In this study, we employ phase-field simulations to model the dynamics of ferroelectric domain patterns of freestanding BiFeO 3 membranes to understand the origin of their super-elasticity under substantial bending deformation (5% strain). It is demonstrated that both a reversible Rhombohedral-Tetragonal (R-T) phase transition and a nearly reversible domain evolution of BiFeO 3 membranes contribute to accommodating the large deformation and thus their super-elasticity. The dynamics of domain evolution also reveal the formation of an exotic ferroelectric vortex and polarization rotation before the phase transition. We constructed a diagram of phases and domain patterns as a function of the membrane thickness and bending angle, which allows one to readily predict the emergence of T phase and ferroelectric vortex in bent BFO membranes. These results not only provide fundamental understanding of mesoscale super-elastic mechanisms but also reveal exotic domain states of ferroelectric membranes.

36 MATERIALS SCIENCE↗

Comparison of active interrogation methods for source location in a scattering and absorbing medium, consisting of PGNAA, and an AmBe quasi-forward biased directional source

Source location of Special Nuclear Material (SNM) encompassing 95% 235 U and 239 Pu is identified by utilizing a directional source from Patent No: US20190013109A1 using Prompt Gamma Neutron Activation Analysis (PGNAA) and neutron spectroscopy simulated with Monte-Carlo N-Particle transport 6.2 (MCNP). BC-408, HPGe, LaBr 3 detector arrays were used to identify the location of the SNM using total counts incident on each detector, and PGNAA photopeaks from HPGe and LaBr 3 detector arrays in a polyethylene shield. The conducted simulations varied the volume and location of the SNM in the MCNP input files to observe how the source location method behaved. PGNAA photopeaks used for source identification include 61 keV from fission, 2.223 MeV prompt gamma from hydrogen, 511 keV annihilation, and a single and double escape peaks from the prompt gamma interaction from hydrogen. The capabilities of each detector systems to acquire well resolved photopeaks with a 1% relative error or less, and total relative error for F4 and F8 tallies were less than 0.015% relative error. Source predictions of the SNM with uneven amounts of polyethylene shielding between the source and detectors was observed to overpredict and give invalid source location predictions. Source locations of the SNM with even amounts of polyethylene material between the source and each detector were found to be valid. With a 1 Ci 241 Am source activity, it was determined that 1630 s were needed to obtain the results for each detector system with the quasi-forward directional AmBe source. Coupling source and material identification together would increase acquisition time but would only require one system to determine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Air Pathway Dose Modeling for the E-Area Low-Level Waste Facility

The US Department of Energy (DOE) Order 435.1 performance assessment (PA) process (USDOE 1999) prescribes a performance objective (10 mrem y -1 ) for evaluating atmospheric releases of radionuclides from DOE low-level waste (LLW) disposal facilities. The potential dose to an individual from exposure to radionuclides released into the atmosphere from LLW disposals can be estimated by application of radionuclide-specific dose-release factors (DRFs) (mrem Ci -1 ) to estimated flux rates (Ci y -1 ) at a particular time and location. In Revision 0 of this report, Lee (2006) calculated DRFs for potential atmospheric releases of 15 volatile radionuclides from seven ELLWF disposal units in support of the 2008 ELLWF PA (WSRC 2008). The mainframe version of the US Environmental Protection Agency’s (EPA) dose model CAP88 was used in the Revision 0 assessment. In Revision 1 of this report (Dixon and Minter 2017), the site-specific Savannah River National Laboratory (SRNL) atmospheric dose models MAXDOSE-SR version 2013 (Stone and Jannik 2013a) and MAXINE version 2017 (Bell 2017) were used to calculate DRFs for ten radionuclides. Revision 2 provided updated DRFs using the current version of the US Environmental Protection Agency’s (EPA) dose model CAP88-PC Version 4.1. After Revision 2 was finalized, DRFs were requested for Ar-37, Ar-39, Kr-83m, and Hg-206. Revision 3 provides the additional DRFs calculated using the same methods as used in Revision 2 of this document. The method for estimating new DRFs for the ELLWF disposal units is described in this report.

61 RADIATION PROTECTION AND DOSIMETRY↗

Health outcomes among offspring of US Coast Guard responders to the Deepwater Horizon oil spill, 2010–2011

To evaluate the potential for adverse health outcomes among infants born to US Coast Guard (USCG) responders to the Deepwater Horizon (DWH) oil spill disaster. Department of Defense Birth and Infant Health Research programme data identified a cohort of singleton infants born 2010–2011 to USCG personnel in the DWH Oil Spill Coast Guard Cohort study. Infants were included if their military parent (‘sponsor’) responded to the oil spill during a selected reproductive exposure window (ie, 3 months preconception for male sponsors and periconception through pregnancy for female sponsors), or if their sponsor was a non-responder. χ 2 tests and multivariable log-binomial regression were used to compare the demographic and health characteristics of infants born to spill responders and non-responders. Altogether, 1974 infants with a male sponsor (n=182 responder, n=1792 non-responder) and 628 infants with a female sponsor (n=35 responder, n=593 non-responder) in the DWH Oil Spill Coast Guard Cohort were identified. Health outcomes were similar among the offspring of male responders and non-responders. The frequency of any poor live birth outcome (ie, low birth weight, preterm birth or birth defect) was higher among infants born to female responders (17.1%, n=6) than non-responders (8.9%, n=53); the maternal age-adjusted association was suggestively elevated (risk ratio 1.93, 95% CI 0.89 to 4.16). Infant health outcomes were comparable between the offspring of male USCG oil spill responders and non-responders. Findings were limited by the small number of infants identified, particularly among female responders, and should be interpreted with caution.

60 APPLIED LIFE SCIENCES↗